USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 82 THR OG1 : rot -73:sc= 0.0613 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.419 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.659 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.62) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.362 (180deg=-1.43!) USER MOD Single : A 27 CYS SG : rot -53:sc= -0.032 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -19:sc= 0.339 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00822) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.57! C(o=-3.6!,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= -1.39 (180deg=-3.65!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.0389 K(o=0.039,f=-2.6!) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0319) USER MOD Single : A 58 MET CE :methyl 164:sc=-0.00517 (180deg=-0.471) USER MOD Single : A 63 ASN : amide:sc= -0.0125 K(o=-0.012,f=-0.9) USER MOD Single : A 66 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=-0.067) USER MOD Single : A 67 SER OG : rot -76:sc= 0.114 USER MOD Single : A 74 THR OG1 : rot -110:sc= -1.22 USER MOD Single : A 75 SER OG : rot -21:sc= 0.446 USER MOD Single : A 81 TYR OH : rot 142:sc= 1.24 USER MOD Single : A 83 CYS SG : rot -174:sc= -2.09 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.7) USER MOD Single : A 91 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.6!) USER MOD Single : A 92 ASN : amide:sc= -2.13! C(o=-2.1!,f=-3.5!) USER MOD Single : A 93 SER OG : rot 58:sc= 0.424 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -2:sc= 0.694! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.727 37.739 -2.199 1.00 0.00 N ATOM 2 CA GLY A 1 -6.382 36.898 -1.068 1.00 0.00 C ATOM 3 C GLY A 1 -4.889 36.663 -0.955 1.00 0.00 C ATOM 4 O GLY A 1 -4.209 37.316 -0.163 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.758 37.870 -2.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.264 38.665 -2.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.407 37.286 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.744 37.362 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.892 35.939 -1.163 1.00 0.00 H new ATOM 8 N SER A 2 -4.377 35.727 -1.747 1.00 0.00 N ATOM 9 CA SER A 2 -2.955 35.404 -1.728 1.00 0.00 C ATOM 10 C SER A 2 -2.509 34.834 -3.072 1.00 0.00 C ATOM 11 O SER A 2 -3.291 34.198 -3.778 1.00 0.00 O ATOM 12 CB SER A 2 -2.652 34.403 -0.611 1.00 0.00 C ATOM 13 OG SER A 2 -2.482 35.062 0.632 1.00 0.00 O ATOM 0 H SER A 2 -4.925 35.179 -2.410 1.00 0.00 H new ATOM 0 HA SER A 2 -2.401 36.324 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.465 33.681 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.750 33.843 -0.855 1.00 0.00 H new ATOM 0 HG SER A 2 -2.936 35.930 0.607 1.00 0.00 H new ATOM 19 N SER A 3 -1.247 35.068 -3.417 1.00 0.00 N ATOM 20 CA SER A 3 -0.697 34.582 -4.677 1.00 0.00 C ATOM 21 C SER A 3 0.052 33.269 -4.472 1.00 0.00 C ATOM 22 O SER A 3 0.559 32.993 -3.385 1.00 0.00 O ATOM 23 CB SER A 3 0.239 35.627 -5.286 1.00 0.00 C ATOM 24 OG SER A 3 1.366 35.847 -4.456 1.00 0.00 O ATOM 0 H SER A 3 -0.586 35.591 -2.842 1.00 0.00 H new ATOM 0 HA SER A 3 -1.526 34.404 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.568 35.295 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.300 36.564 -5.429 1.00 0.00 H new ATOM 0 HG SER A 3 1.950 36.518 -4.868 1.00 0.00 H new ATOM 30 N GLY A 4 0.118 32.461 -5.526 1.00 0.00 N ATOM 31 CA GLY A 4 0.807 31.186 -5.442 1.00 0.00 C ATOM 32 C GLY A 4 0.085 30.194 -4.552 1.00 0.00 C ATOM 33 O GLY A 4 -0.990 30.488 -4.029 1.00 0.00 O ATOM 0 H GLY A 4 -0.293 32.667 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.909 30.765 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.815 31.346 -5.059 1.00 0.00 H new ATOM 37 N SER A 5 0.675 29.016 -4.381 1.00 0.00 N ATOM 38 CA SER A 5 0.078 27.975 -3.553 1.00 0.00 C ATOM 39 C SER A 5 1.054 27.513 -2.474 1.00 0.00 C ATOM 40 O SER A 5 2.143 27.025 -2.775 1.00 0.00 O ATOM 41 CB SER A 5 -0.345 26.786 -4.417 1.00 0.00 C ATOM 42 OG SER A 5 0.785 26.109 -4.941 1.00 0.00 O ATOM 0 H SER A 5 1.566 28.758 -4.805 1.00 0.00 H new ATOM 0 HA SER A 5 -0.804 28.393 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.944 26.095 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.977 27.133 -5.235 1.00 0.00 H new ATOM 0 HG SER A 5 1.538 26.201 -4.321 1.00 0.00 H new ATOM 48 N SER A 6 0.653 27.671 -1.217 1.00 0.00 N ATOM 49 CA SER A 6 1.493 27.274 -0.092 1.00 0.00 C ATOM 50 C SER A 6 1.308 25.793 0.227 1.00 0.00 C ATOM 51 O SER A 6 0.197 25.269 0.176 1.00 0.00 O ATOM 52 CB SER A 6 1.163 28.118 1.140 1.00 0.00 C ATOM 53 OG SER A 6 2.226 28.089 2.077 1.00 0.00 O ATOM 0 H SER A 6 -0.247 28.071 -0.951 1.00 0.00 H new ATOM 0 HA SER A 6 2.534 27.441 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.968 29.147 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.252 27.745 1.607 1.00 0.00 H new ATOM 0 HG SER A 6 1.992 28.637 2.855 1.00 0.00 H new ATOM 59 N GLY A 7 2.409 25.124 0.558 1.00 0.00 N ATOM 60 CA GLY A 7 2.348 23.711 0.881 1.00 0.00 C ATOM 61 C GLY A 7 3.708 23.043 0.820 1.00 0.00 C ATOM 62 O GLY A 7 4.701 23.673 0.454 1.00 0.00 O ATOM 0 H GLY A 7 3.341 25.536 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.930 23.588 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.670 23.212 0.188 1.00 0.00 H new ATOM 66 N PHE A 8 3.755 21.765 1.181 1.00 0.00 N ATOM 67 CA PHE A 8 5.004 21.013 1.168 1.00 0.00 C ATOM 68 C PHE A 8 4.931 19.854 0.178 1.00 0.00 C ATOM 69 O PHE A 8 4.009 19.040 0.226 1.00 0.00 O ATOM 70 CB PHE A 8 5.319 20.482 2.568 1.00 0.00 C ATOM 71 CG PHE A 8 4.886 21.406 3.671 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.631 22.534 3.979 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.736 21.148 4.397 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.235 23.385 4.994 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.335 21.996 5.413 1.00 0.00 C ATOM 76 CZ PHE A 8 4.086 23.117 5.710 1.00 0.00 C ATOM 0 H PHE A 8 2.943 21.229 1.486 1.00 0.00 H new ATOM 0 HA PHE A 8 5.801 21.687 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.830 19.517 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.392 20.310 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.530 22.750 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.145 20.274 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.825 24.259 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.437 21.782 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.774 23.783 6.501 1.00 0.00 H new ATOM 86 N ARG A 9 5.909 19.788 -0.720 1.00 0.00 N ATOM 87 CA ARG A 9 5.955 18.731 -1.723 1.00 0.00 C ATOM 88 C ARG A 9 5.730 17.364 -1.083 1.00 0.00 C ATOM 89 O ARG A 9 6.228 17.070 0.004 1.00 0.00 O ATOM 90 CB ARG A 9 7.300 18.749 -2.452 1.00 0.00 C ATOM 91 CG ARG A 9 7.371 17.782 -3.623 1.00 0.00 C ATOM 92 CD ARG A 9 8.782 17.686 -4.180 1.00 0.00 C ATOM 93 NE ARG A 9 9.142 18.863 -4.966 1.00 0.00 N ATOM 94 CZ ARG A 9 10.207 18.921 -5.758 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.012 17.873 -5.869 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.468 20.028 -6.442 1.00 0.00 N ATOM 0 H ARG A 9 6.680 20.454 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 9 5.157 18.912 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.494 19.759 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.091 18.506 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.037 16.795 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.690 18.109 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.489 17.569 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.866 16.795 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 9 8.543 19.686 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.814 17.020 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.829 17.920 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.851 20.836 -6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.286 20.071 -7.050 1.00 0.00 H new ATOM 110 N PRO A 10 4.960 16.508 -1.772 1.00 0.00 N ATOM 111 CA PRO A 10 4.651 15.158 -1.290 1.00 0.00 C ATOM 112 C PRO A 10 5.868 14.240 -1.318 1.00 0.00 C ATOM 113 O PRO A 10 6.278 13.767 -2.379 1.00 0.00 O ATOM 114 CB PRO A 10 3.587 14.666 -2.274 1.00 0.00 C ATOM 115 CG PRO A 10 3.833 15.445 -3.520 1.00 0.00 C ATOM 116 CD PRO A 10 4.334 16.791 -3.074 1.00 0.00 C ATOM 0 HA PRO A 10 4.322 15.161 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.678 13.595 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.582 14.841 -1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.566 14.946 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.919 15.543 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.050 17.208 -3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.521 17.512 -2.981 1.00 0.00 H new ATOM 124 N HIS A 11 6.443 13.991 -0.145 1.00 0.00 N ATOM 125 CA HIS A 11 7.613 13.127 -0.036 1.00 0.00 C ATOM 126 C HIS A 11 7.390 12.040 1.011 1.00 0.00 C ATOM 127 O HIS A 11 7.148 12.332 2.183 1.00 0.00 O ATOM 128 CB HIS A 11 8.849 13.952 0.324 1.00 0.00 C ATOM 129 CG HIS A 11 9.922 13.158 1.005 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.769 12.304 0.330 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.283 13.093 2.307 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.604 11.747 1.189 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.331 12.209 2.395 1.00 0.00 N ATOM 0 H HIS A 11 6.118 14.375 0.742 1.00 0.00 H new ATOM 0 HA HIS A 11 7.773 12.649 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.257 14.395 -0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.550 14.775 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.832 13.635 3.125 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.378 11.035 0.946 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.819 11.952 3.253 1.00 0.00 H new ATOM 141 N PHE A 12 7.471 10.785 0.581 1.00 0.00 N ATOM 142 CA PHE A 12 7.276 9.654 1.480 1.00 0.00 C ATOM 143 C PHE A 12 8.426 9.549 2.478 1.00 0.00 C ATOM 144 O PHE A 12 9.534 9.142 2.126 1.00 0.00 O ATOM 145 CB PHE A 12 7.159 8.354 0.682 1.00 0.00 C ATOM 146 CG PHE A 12 5.956 8.310 -0.217 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.706 7.997 0.292 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.076 8.580 -1.570 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.597 7.956 -0.532 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.970 8.540 -2.399 1.00 0.00 C ATOM 151 CZ PHE A 12 3.729 8.227 -1.879 1.00 0.00 C ATOM 0 H PHE A 12 7.670 10.526 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 12 6.351 9.817 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.058 8.224 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.116 7.514 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.597 7.783 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.044 8.824 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.628 7.712 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.076 8.753 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.864 8.194 -2.525 1.00 0.00 H new ATOM 161 N LEU A 13 8.155 9.919 3.725 1.00 0.00 N ATOM 162 CA LEU A 13 9.165 9.867 4.776 1.00 0.00 C ATOM 163 C LEU A 13 9.785 8.476 4.867 1.00 0.00 C ATOM 164 O LEU A 13 11.007 8.328 4.845 1.00 0.00 O ATOM 165 CB LEU A 13 8.550 10.253 6.122 1.00 0.00 C ATOM 166 CG LEU A 13 8.432 11.751 6.401 1.00 0.00 C ATOM 167 CD1 LEU A 13 9.752 12.453 6.118 1.00 0.00 C ATOM 168 CD2 LEU A 13 7.313 12.362 5.570 1.00 0.00 C ATOM 0 H LEU A 13 7.244 10.258 4.033 1.00 0.00 H new ATOM 0 HA LEU A 13 9.951 10.579 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.555 9.813 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.147 9.802 6.914 1.00 0.00 H new ATOM 0 HG LEU A 13 8.191 11.886 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.648 13.519 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.531 12.035 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.024 12.309 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.244 13.429 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.525 12.215 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.368 11.880 5.821 1.00 0.00 H new ATOM 180 N GLN A 14 8.934 7.460 4.966 1.00 0.00 N ATOM 181 CA GLN A 14 9.399 6.081 5.059 1.00 0.00 C ATOM 182 C GLN A 14 8.605 5.175 4.123 1.00 0.00 C ATOM 183 O GLN A 14 7.375 5.157 4.156 1.00 0.00 O ATOM 184 CB GLN A 14 9.281 5.576 6.498 1.00 0.00 C ATOM 185 CG GLN A 14 10.201 4.407 6.810 1.00 0.00 C ATOM 186 CD GLN A 14 11.667 4.788 6.758 1.00 0.00 C ATOM 187 OE1 GLN A 14 12.294 4.744 5.699 1.00 0.00 O ATOM 188 NE2 GLN A 14 12.222 5.167 7.903 1.00 0.00 N ATOM 0 H GLN A 14 7.920 7.566 4.984 1.00 0.00 H new ATOM 0 HA GLN A 14 10.446 6.056 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.504 6.395 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.250 5.276 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.965 4.019 7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.013 3.602 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.665 5.189 8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.205 5.436 7.928 1.00 0.00 H new ATOM 197 N ALA A 15 9.318 4.425 3.289 1.00 0.00 N ATOM 198 CA ALA A 15 8.680 3.515 2.345 1.00 0.00 C ATOM 199 C ALA A 15 9.056 2.067 2.640 1.00 0.00 C ATOM 200 O ALA A 15 10.144 1.770 3.132 1.00 0.00 O ATOM 201 CB ALA A 15 9.062 3.882 0.919 1.00 0.00 C ATOM 0 H ALA A 15 10.337 4.429 3.248 1.00 0.00 H new ATOM 0 HA ALA A 15 7.600 3.612 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.579 3.195 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.738 4.901 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.144 3.814 0.803 1.00 0.00 H new ATOM 207 N PRO A 16 8.134 1.142 2.332 1.00 0.00 N ATOM 208 CA PRO A 16 8.346 -0.292 2.556 1.00 0.00 C ATOM 209 C PRO A 16 9.391 -0.877 1.612 1.00 0.00 C ATOM 210 O PRO A 16 10.074 -0.146 0.896 1.00 0.00 O ATOM 211 CB PRO A 16 6.971 -0.902 2.276 1.00 0.00 C ATOM 212 CG PRO A 16 6.310 0.062 1.352 1.00 0.00 C ATOM 213 CD PRO A 16 6.815 1.424 1.743 1.00 0.00 C ATOM 0 HA PRO A 16 8.722 -0.497 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.061 -1.888 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.398 -1.026 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.555 -0.162 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.225 0.007 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.893 2.086 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.151 1.909 2.458 1.00 0.00 H new ATOM 221 N GLY A 17 9.510 -2.201 1.616 1.00 0.00 N ATOM 222 CA GLY A 17 10.473 -2.862 0.755 1.00 0.00 C ATOM 223 C GLY A 17 9.930 -4.143 0.153 1.00 0.00 C ATOM 224 O GLY A 17 8.886 -4.136 -0.500 1.00 0.00 O ATOM 0 H GLY A 17 8.957 -2.828 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.765 -2.183 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.373 -3.086 1.327 1.00 0.00 H new ATOM 228 N ASP A 18 10.640 -5.245 0.370 1.00 0.00 N ATOM 229 CA ASP A 18 10.223 -6.539 -0.157 1.00 0.00 C ATOM 230 C ASP A 18 9.792 -7.471 0.971 1.00 0.00 C ATOM 231 O ASP A 18 10.623 -7.963 1.736 1.00 0.00 O ATOM 232 CB ASP A 18 11.359 -7.177 -0.957 1.00 0.00 C ATOM 233 CG ASP A 18 12.705 -7.024 -0.276 1.00 0.00 C ATOM 234 OD1 ASP A 18 12.863 -7.543 0.849 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.600 -6.383 -0.867 1.00 0.00 O ATOM 0 H ASP A 18 11.507 -5.268 0.907 1.00 0.00 H new ATOM 0 HA ASP A 18 9.370 -6.378 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.147 -8.236 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.402 -6.722 -1.947 1.00 0.00 H new ATOM 240 N LEU A 19 8.489 -7.710 1.068 1.00 0.00 N ATOM 241 CA LEU A 19 7.946 -8.583 2.104 1.00 0.00 C ATOM 242 C LEU A 19 7.539 -9.932 1.520 1.00 0.00 C ATOM 243 O LEU A 19 7.436 -10.089 0.303 1.00 0.00 O ATOM 244 CB LEU A 19 6.742 -7.922 2.777 1.00 0.00 C ATOM 245 CG LEU A 19 7.018 -6.602 3.497 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.778 -5.721 3.491 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.484 -6.859 4.923 1.00 0.00 C ATOM 0 H LEU A 19 7.789 -7.312 0.442 1.00 0.00 H new ATOM 0 HA LEU A 19 8.724 -8.749 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.978 -7.747 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.322 -8.625 3.497 1.00 0.00 H new ATOM 0 HG LEU A 19 7.813 -6.080 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.994 -4.786 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.488 -5.508 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.963 -6.237 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.676 -5.908 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.711 -7.403 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.400 -7.450 4.906 1.00 0.00 H new ATOM 259 N THR A 20 7.307 -10.905 2.396 1.00 0.00 N ATOM 260 CA THR A 20 6.910 -12.240 1.968 1.00 0.00 C ATOM 261 C THR A 20 5.715 -12.742 2.771 1.00 0.00 C ATOM 262 O THR A 20 5.828 -13.014 3.966 1.00 0.00 O ATOM 263 CB THR A 20 8.069 -13.244 2.112 1.00 0.00 C ATOM 264 OG1 THR A 20 9.299 -12.634 1.705 1.00 0.00 O ATOM 265 CG2 THR A 20 7.814 -14.490 1.277 1.00 0.00 C ATOM 0 H THR A 20 7.387 -10.793 3.407 1.00 0.00 H new ATOM 0 HA THR A 20 6.632 -12.165 0.917 1.00 0.00 H new ATOM 0 HB THR A 20 8.138 -13.537 3.160 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.031 -13.278 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.646 -15.184 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.893 -14.968 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.720 -14.212 0.227 1.00 0.00 H new ATOM 273 N VAL A 21 4.570 -12.864 2.106 1.00 0.00 N ATOM 274 CA VAL A 21 3.355 -13.335 2.758 1.00 0.00 C ATOM 275 C VAL A 21 2.760 -14.527 2.016 1.00 0.00 C ATOM 276 O VAL A 21 2.475 -14.447 0.821 1.00 0.00 O ATOM 277 CB VAL A 21 2.296 -12.220 2.847 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.067 -12.708 3.597 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.881 -10.983 3.512 1.00 0.00 C ATOM 0 H VAL A 21 4.459 -12.643 1.116 1.00 0.00 H new ATOM 0 HA VAL A 21 3.636 -13.640 3.766 1.00 0.00 H new ATOM 0 HB VAL A 21 1.991 -11.951 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.331 -11.906 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.637 -13.562 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.351 -13.006 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.120 -10.205 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.216 -11.235 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.727 -10.622 2.928 1.00 0.00 H new ATOM 289 N GLN A 22 2.575 -15.631 2.732 1.00 0.00 N ATOM 290 CA GLN A 22 2.014 -16.840 2.141 1.00 0.00 C ATOM 291 C GLN A 22 0.538 -16.648 1.807 1.00 0.00 C ATOM 292 O GLN A 22 -0.257 -16.268 2.666 1.00 0.00 O ATOM 293 CB GLN A 22 2.184 -18.025 3.092 1.00 0.00 C ATOM 294 CG GLN A 22 1.913 -19.372 2.441 1.00 0.00 C ATOM 295 CD GLN A 22 1.664 -20.471 3.456 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.611 -20.517 4.092 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.635 -21.363 3.612 1.00 0.00 N ATOM 0 H GLN A 22 2.805 -15.713 3.722 1.00 0.00 H new ATOM 0 HA GLN A 22 2.553 -17.046 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.200 -18.020 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.511 -17.899 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.047 -19.286 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.762 -19.646 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.491 -21.286 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.525 -22.125 4.281 1.00 0.00 H new ATOM 306 N GLU A 23 0.180 -16.915 0.555 1.00 0.00 N ATOM 307 CA GLU A 23 -1.201 -16.770 0.109 1.00 0.00 C ATOM 308 C GLU A 23 -2.174 -17.151 1.221 1.00 0.00 C ATOM 309 O GLU A 23 -1.958 -18.122 1.945 1.00 0.00 O ATOM 310 CB GLU A 23 -1.455 -17.637 -1.126 1.00 0.00 C ATOM 311 CG GLU A 23 -2.846 -17.467 -1.713 1.00 0.00 C ATOM 312 CD GLU A 23 -3.218 -18.588 -2.664 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.661 -19.696 -2.524 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.069 -18.356 -3.549 1.00 0.00 O ATOM 0 H GLU A 23 0.826 -17.232 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.365 -15.724 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.716 -17.393 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.307 -18.684 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.575 -17.425 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.900 -16.515 -2.241 1.00 0.00 H new ATOM 321 N GLY A 24 -3.248 -16.377 1.350 1.00 0.00 N ATOM 322 CA GLY A 24 -4.239 -16.649 2.375 1.00 0.00 C ATOM 323 C GLY A 24 -3.807 -16.157 3.743 1.00 0.00 C ATOM 324 O GLY A 24 -4.248 -16.680 4.767 1.00 0.00 O ATOM 0 H GLY A 24 -3.449 -15.567 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.181 -16.173 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.426 -17.722 2.420 1.00 0.00 H new ATOM 328 N LYS A 25 -2.940 -15.150 3.762 1.00 0.00 N ATOM 329 CA LYS A 25 -2.447 -14.588 5.013 1.00 0.00 C ATOM 330 C LYS A 25 -2.683 -13.082 5.063 1.00 0.00 C ATOM 331 O LYS A 25 -3.114 -12.478 4.080 1.00 0.00 O ATOM 332 CB LYS A 25 -0.956 -14.888 5.178 1.00 0.00 C ATOM 333 CG LYS A 25 -0.661 -16.337 5.523 1.00 0.00 C ATOM 334 CD LYS A 25 -0.685 -16.570 7.024 1.00 0.00 C ATOM 335 CE LYS A 25 0.669 -16.281 7.655 1.00 0.00 C ATOM 336 NZ LYS A 25 0.829 -14.840 7.991 1.00 0.00 N ATOM 0 H LYS A 25 -2.564 -14.706 2.924 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.997 -15.051 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.438 -14.631 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.550 -14.247 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.395 -16.983 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.316 -16.615 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.443 -15.933 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.970 -17.602 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.783 -16.879 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.461 -16.584 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.370 -14.748 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.337 -14.359 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.108 -14.406 8.112 1.00 0.00 H new ATOM 350 N LEU A 26 -2.396 -12.480 6.212 1.00 0.00 N ATOM 351 CA LEU A 26 -2.575 -11.043 6.389 1.00 0.00 C ATOM 352 C LEU A 26 -1.372 -10.275 5.852 1.00 0.00 C ATOM 353 O LEU A 26 -0.225 -10.611 6.150 1.00 0.00 O ATOM 354 CB LEU A 26 -2.786 -10.714 7.868 1.00 0.00 C ATOM 355 CG LEU A 26 -2.959 -9.234 8.208 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.646 -8.488 8.030 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.049 -8.613 7.346 1.00 0.00 C ATOM 0 H LEU A 26 -2.038 -12.965 7.035 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.458 -10.739 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.667 -11.252 8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.935 -11.098 8.430 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.259 -9.154 9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.789 -7.436 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.892 -8.916 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.315 -8.576 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.159 -7.559 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.778 -8.705 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.992 -9.130 7.524 1.00 0.00 H new ATOM 369 N CYS A 27 -1.642 -9.241 5.062 1.00 0.00 N ATOM 370 CA CYS A 27 -0.581 -8.423 4.485 1.00 0.00 C ATOM 371 C CYS A 27 -0.801 -6.947 4.800 1.00 0.00 C ATOM 372 O CYS A 27 -1.598 -6.274 4.145 1.00 0.00 O ATOM 373 CB CYS A 27 -0.516 -8.630 2.971 1.00 0.00 C ATOM 374 SG CYS A 27 0.322 -7.299 2.079 1.00 0.00 S ATOM 0 H CYS A 27 -2.586 -8.950 4.807 1.00 0.00 H new ATOM 0 HA CYS A 27 0.366 -8.733 4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.003 -9.570 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.530 -8.729 2.585 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.210 -6.158 2.403 1.00 0.00 H new ATOM 380 N ARG A 28 -0.090 -6.450 5.806 1.00 0.00 N ATOM 381 CA ARG A 28 -0.210 -5.054 6.210 1.00 0.00 C ATOM 382 C ARG A 28 0.948 -4.228 5.658 1.00 0.00 C ATOM 383 O ARG A 28 2.062 -4.727 5.504 1.00 0.00 O ATOM 384 CB ARG A 28 -0.248 -4.943 7.735 1.00 0.00 C ATOM 385 CG ARG A 28 -1.631 -5.156 8.327 1.00 0.00 C ATOM 386 CD ARG A 28 -1.561 -5.455 9.816 1.00 0.00 C ATOM 387 NE ARG A 28 -1.359 -4.244 10.608 1.00 0.00 N ATOM 388 CZ ARG A 28 -2.324 -3.371 10.875 1.00 0.00 C ATOM 389 NH1 ARG A 28 -3.552 -3.575 10.417 1.00 0.00 N ATOM 390 NH2 ARG A 28 -2.062 -2.293 11.603 1.00 0.00 N ATOM 0 H ARG A 28 0.575 -6.993 6.357 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.141 -4.662 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.437 -5.676 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.116 -3.958 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.239 -4.267 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.125 -5.980 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.482 -5.945 10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.747 -6.154 10.008 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.426 -4.059 10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.757 -4.404 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.291 -2.903 10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.119 -2.134 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.804 -1.623 11.808 1.00 0.00 H new ATOM 404 N MET A 29 0.676 -2.961 5.362 1.00 0.00 N ATOM 405 CA MET A 29 1.696 -2.065 4.828 1.00 0.00 C ATOM 406 C MET A 29 1.648 -0.710 5.526 1.00 0.00 C ATOM 407 O MET A 29 0.580 -0.243 5.923 1.00 0.00 O ATOM 408 CB MET A 29 1.506 -1.883 3.321 1.00 0.00 C ATOM 409 CG MET A 29 1.935 -3.091 2.504 1.00 0.00 C ATOM 410 SD MET A 29 2.282 -2.679 0.783 1.00 0.00 S ATOM 411 CE MET A 29 1.461 -4.029 -0.060 1.00 0.00 C ATOM 0 H MET A 29 -0.241 -2.532 5.483 1.00 0.00 H new ATOM 0 HA MET A 29 2.672 -2.514 5.012 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.456 -1.672 3.118 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.075 -1.013 2.994 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.824 -3.532 2.954 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.151 -3.847 2.541 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.586 -3.915 -1.137 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.898 -4.976 0.258 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.399 -4.019 0.185 1.00 0.00 H new ATOM 421 N ASP A 30 2.810 -0.083 5.671 1.00 0.00 N ATOM 422 CA ASP A 30 2.901 1.220 6.321 1.00 0.00 C ATOM 423 C ASP A 30 3.699 2.199 5.466 1.00 0.00 C ATOM 424 O ASP A 30 4.774 1.867 4.965 1.00 0.00 O ATOM 425 CB ASP A 30 3.548 1.082 7.700 1.00 0.00 C ATOM 426 CG ASP A 30 4.877 0.354 7.645 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.889 -0.831 7.250 1.00 0.00 O ATOM 428 OD2 ASP A 30 5.905 0.970 7.997 1.00 0.00 O ATOM 0 H ASP A 30 3.703 -0.456 5.347 1.00 0.00 H new ATOM 0 HA ASP A 30 1.890 1.610 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.697 2.073 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.870 0.546 8.364 1.00 0.00 H new ATOM 433 N CYS A 31 3.165 3.404 5.302 1.00 0.00 N ATOM 434 CA CYS A 31 3.826 4.431 4.505 1.00 0.00 C ATOM 435 C CYS A 31 3.398 5.825 4.951 1.00 0.00 C ATOM 436 O CYS A 31 2.206 6.124 5.033 1.00 0.00 O ATOM 437 CB CYS A 31 3.510 4.238 3.021 1.00 0.00 C ATOM 438 SG CYS A 31 1.748 4.314 2.626 1.00 0.00 S ATOM 0 H CYS A 31 2.276 3.694 5.710 1.00 0.00 H new ATOM 0 HA CYS A 31 4.901 4.335 4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.033 5.002 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.902 3.273 2.699 1.00 0.00 H new ATOM 0 HG CYS A 31 1.052 4.124 3.708 1.00 0.00 H new ATOM 444 N LYS A 32 4.377 6.676 5.240 1.00 0.00 N ATOM 445 CA LYS A 32 4.103 8.039 5.679 1.00 0.00 C ATOM 446 C LYS A 32 4.474 9.045 4.594 1.00 0.00 C ATOM 447 O LYS A 32 5.475 8.879 3.897 1.00 0.00 O ATOM 448 CB LYS A 32 4.876 8.348 6.963 1.00 0.00 C ATOM 449 CG LYS A 32 4.408 9.611 7.665 1.00 0.00 C ATOM 450 CD LYS A 32 5.516 10.227 8.503 1.00 0.00 C ATOM 451 CE LYS A 32 5.064 11.522 9.160 1.00 0.00 C ATOM 452 NZ LYS A 32 5.337 12.706 8.298 1.00 0.00 N ATOM 0 H LYS A 32 5.369 6.445 5.178 1.00 0.00 H new ATOM 0 HA LYS A 32 3.034 8.123 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.779 7.505 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.935 8.446 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.066 10.334 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.555 9.379 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.830 9.519 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.385 10.421 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.997 11.467 9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.575 11.642 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.954 13.561 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.364 12.813 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.884 12.572 7.371 1.00 0.00 H new ATOM 466 N VAL A 33 3.662 10.088 4.458 1.00 0.00 N ATOM 467 CA VAL A 33 3.907 11.122 3.460 1.00 0.00 C ATOM 468 C VAL A 33 3.586 12.507 4.012 1.00 0.00 C ATOM 469 O VAL A 33 2.494 12.742 4.529 1.00 0.00 O ATOM 470 CB VAL A 33 3.073 10.883 2.188 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.601 11.156 2.455 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.585 11.747 1.045 1.00 0.00 C ATOM 0 H VAL A 33 2.829 10.239 5.026 1.00 0.00 H new ATOM 0 HA VAL A 33 4.966 11.072 3.206 1.00 0.00 H new ATOM 0 HB VAL A 33 3.177 9.837 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.028 10.982 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.244 10.491 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.474 12.192 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.984 11.565 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.513 12.798 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.626 11.497 0.838 1.00 0.00 H new ATOM 482 N SER A 34 4.545 13.420 3.900 1.00 0.00 N ATOM 483 CA SER A 34 4.366 14.781 4.391 1.00 0.00 C ATOM 484 C SER A 34 3.900 15.706 3.270 1.00 0.00 C ATOM 485 O SER A 34 4.413 15.654 2.153 1.00 0.00 O ATOM 486 CB SER A 34 5.671 15.306 4.991 1.00 0.00 C ATOM 487 OG SER A 34 5.745 16.718 4.898 1.00 0.00 O ATOM 0 H SER A 34 5.454 13.242 3.473 1.00 0.00 H new ATOM 0 HA SER A 34 3.600 14.763 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.742 15.003 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.519 14.860 4.472 1.00 0.00 H new ATOM 0 HG SER A 34 6.588 17.028 5.290 1.00 0.00 H new ATOM 493 N GLY A 35 2.923 16.554 3.578 1.00 0.00 N ATOM 494 CA GLY A 35 2.404 17.479 2.588 1.00 0.00 C ATOM 495 C GLY A 35 1.198 18.248 3.089 1.00 0.00 C ATOM 496 O GLY A 35 0.472 17.777 3.965 1.00 0.00 O ATOM 0 H GLY A 35 2.482 16.617 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.188 18.182 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.131 16.928 1.688 1.00 0.00 H new ATOM 500 N LEU A 36 0.983 19.435 2.533 1.00 0.00 N ATOM 501 CA LEU A 36 -0.144 20.273 2.930 1.00 0.00 C ATOM 502 C LEU A 36 -0.711 21.027 1.732 1.00 0.00 C ATOM 503 O LEU A 36 -0.004 21.758 1.037 1.00 0.00 O ATOM 504 CB LEU A 36 0.287 21.263 4.013 1.00 0.00 C ATOM 505 CG LEU A 36 -0.795 22.216 4.521 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.532 22.599 5.969 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.869 23.457 3.644 1.00 0.00 C ATOM 0 H LEU A 36 1.574 19.839 1.806 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.924 19.624 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.672 20.697 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.114 21.858 3.625 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.756 21.703 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.312 23.278 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.532 21.702 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.437 23.092 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.645 24.123 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.091 23.972 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.107 23.166 2.621 1.00 0.00 H new ATOM 519 N PRO A 37 -2.017 20.849 1.483 1.00 0.00 N ATOM 520 CA PRO A 37 -2.867 19.980 2.303 1.00 0.00 C ATOM 521 C PRO A 37 -2.531 18.504 2.124 1.00 0.00 C ATOM 522 O PRO A 37 -1.494 18.156 1.557 1.00 0.00 O ATOM 523 CB PRO A 37 -4.277 20.274 1.785 1.00 0.00 C ATOM 524 CG PRO A 37 -4.077 20.748 0.387 1.00 0.00 C ATOM 525 CD PRO A 37 -2.763 21.480 0.382 1.00 0.00 C ATOM 0 HA PRO A 37 -2.740 20.173 3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.903 19.382 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.772 21.032 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.060 19.910 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.890 21.404 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.245 21.369 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.898 22.549 0.549 1.00 0.00 H new ATOM 533 N THR A 38 -3.414 17.637 2.610 1.00 0.00 N ATOM 534 CA THR A 38 -3.211 16.198 2.505 1.00 0.00 C ATOM 535 C THR A 38 -2.960 15.783 1.059 1.00 0.00 C ATOM 536 O THR A 38 -3.766 16.043 0.165 1.00 0.00 O ATOM 537 CB THR A 38 -4.423 15.418 3.048 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.635 15.742 4.427 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.212 13.919 2.901 1.00 0.00 C ATOM 0 H THR A 38 -4.278 17.907 3.081 1.00 0.00 H new ATOM 0 HA THR A 38 -2.335 15.957 3.107 1.00 0.00 H new ATOM 0 HB THR A 38 -5.301 15.704 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.408 15.244 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.081 13.389 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.079 13.672 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.324 13.620 3.459 1.00 0.00 H new ATOM 547 N PRO A 39 -1.818 15.121 0.822 1.00 0.00 N ATOM 548 CA PRO A 39 -1.436 14.654 -0.514 1.00 0.00 C ATOM 549 C PRO A 39 -2.316 13.508 -1.001 1.00 0.00 C ATOM 550 O PRO A 39 -2.373 12.448 -0.377 1.00 0.00 O ATOM 551 CB PRO A 39 0.006 14.178 -0.324 1.00 0.00 C ATOM 552 CG PRO A 39 0.102 13.824 1.120 1.00 0.00 C ATOM 553 CD PRO A 39 -0.812 14.776 1.841 1.00 0.00 C ATOM 0 HA PRO A 39 -1.546 15.435 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.226 13.319 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.719 14.959 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.199 12.790 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.127 13.920 1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.268 14.311 2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.277 15.658 2.192 1.00 0.00 H new ATOM 561 N ASP A 40 -3.000 13.727 -2.118 1.00 0.00 N ATOM 562 CA ASP A 40 -3.876 12.711 -2.690 1.00 0.00 C ATOM 563 C ASP A 40 -3.068 11.656 -3.439 1.00 0.00 C ATOM 564 O ASP A 40 -2.504 11.927 -4.500 1.00 0.00 O ATOM 565 CB ASP A 40 -4.893 13.357 -3.633 1.00 0.00 C ATOM 566 CG ASP A 40 -5.939 14.164 -2.891 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.877 13.553 -2.336 1.00 0.00 O ATOM 568 OD2 ASP A 40 -5.821 15.407 -2.864 1.00 0.00 O ATOM 0 H ASP A 40 -2.965 14.599 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.408 12.223 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.371 14.005 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.385 12.581 -4.219 1.00 0.00 H new ATOM 573 N LEU A 41 -3.015 10.452 -2.880 1.00 0.00 N ATOM 574 CA LEU A 41 -2.275 9.355 -3.493 1.00 0.00 C ATOM 575 C LEU A 41 -3.214 8.220 -3.891 1.00 0.00 C ATOM 576 O LEU A 41 -4.292 8.064 -3.319 1.00 0.00 O ATOM 577 CB LEU A 41 -1.206 8.834 -2.532 1.00 0.00 C ATOM 578 CG LEU A 41 -1.709 8.323 -1.181 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.792 7.233 -0.648 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.818 9.467 -0.185 1.00 0.00 C ATOM 0 H LEU A 41 -3.476 10.211 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.791 9.735 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.665 8.026 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.488 9.634 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.702 7.896 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.165 6.881 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.766 6.402 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.214 7.633 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.177 9.085 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.838 9.924 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.517 10.213 -0.563 1.00 0.00 H new ATOM 592 N SER A 42 -2.795 7.430 -4.874 1.00 0.00 N ATOM 593 CA SER A 42 -3.599 6.310 -5.350 1.00 0.00 C ATOM 594 C SER A 42 -2.734 5.071 -5.560 1.00 0.00 C ATOM 595 O SER A 42 -1.616 5.160 -6.067 1.00 0.00 O ATOM 596 CB SER A 42 -4.306 6.680 -6.655 1.00 0.00 C ATOM 597 OG SER A 42 -5.359 5.775 -6.940 1.00 0.00 O ATOM 0 H SER A 42 -1.904 7.544 -5.356 1.00 0.00 H new ATOM 0 HA SER A 42 -4.348 6.084 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.702 7.693 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.588 6.677 -7.475 1.00 0.00 H new ATOM 0 HG SER A 42 -5.796 6.035 -7.778 1.00 0.00 H new ATOM 603 N TRP A 43 -3.260 3.917 -5.167 1.00 0.00 N ATOM 604 CA TRP A 43 -2.537 2.658 -5.312 1.00 0.00 C ATOM 605 C TRP A 43 -2.774 2.050 -6.690 1.00 0.00 C ATOM 606 O TRP A 43 -3.861 2.175 -7.254 1.00 0.00 O ATOM 607 CB TRP A 43 -2.965 1.672 -4.225 1.00 0.00 C ATOM 608 CG TRP A 43 -2.571 2.102 -2.844 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.301 2.873 -1.986 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.350 1.787 -2.164 1.00 0.00 C ATOM 611 NE1 TRP A 43 -2.609 3.056 -0.813 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.410 2.400 -0.897 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.215 1.047 -2.502 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.376 2.294 0.030 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.810 0.942 -1.581 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.724 1.562 -0.327 1.00 0.00 C ATOM 0 H TRP A 43 -4.184 3.826 -4.745 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.472 2.865 -5.205 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.047 1.547 -4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.524 0.698 -4.434 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.279 3.279 -2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.936 3.593 -0.010 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.140 0.565 -3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.440 2.772 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.693 0.372 -1.832 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.542 1.460 0.371 1.00 0.00 H new ATOM 627 N GLN A 44 -1.752 1.391 -7.225 1.00 0.00 N ATOM 628 CA GLN A 44 -1.851 0.763 -8.538 1.00 0.00 C ATOM 629 C GLN A 44 -1.220 -0.625 -8.526 1.00 0.00 C ATOM 630 O GLN A 44 -0.098 -0.805 -8.051 1.00 0.00 O ATOM 631 CB GLN A 44 -1.174 1.636 -9.596 1.00 0.00 C ATOM 632 CG GLN A 44 -1.634 3.084 -9.576 1.00 0.00 C ATOM 633 CD GLN A 44 -1.378 3.796 -10.889 1.00 0.00 C ATOM 634 OE1 GLN A 44 -1.616 3.245 -11.964 1.00 0.00 O ATOM 635 NE2 GLN A 44 -0.890 5.029 -10.810 1.00 0.00 N ATOM 0 H GLN A 44 -0.846 1.278 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.908 0.659 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.095 1.604 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.370 1.215 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.700 3.120 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.120 3.613 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.707 5.448 -9.898 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.698 5.557 -11.661 1.00 0.00 H new ATOM 644 N LEU A 45 -1.948 -1.604 -9.052 1.00 0.00 N ATOM 645 CA LEU A 45 -1.460 -2.978 -9.103 1.00 0.00 C ATOM 646 C LEU A 45 -1.392 -3.479 -10.542 1.00 0.00 C ATOM 647 O LEU A 45 -2.399 -3.504 -11.249 1.00 0.00 O ATOM 648 CB LEU A 45 -2.364 -3.892 -8.274 1.00 0.00 C ATOM 649 CG LEU A 45 -2.082 -5.391 -8.381 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.704 -5.716 -7.826 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.154 -6.189 -7.653 1.00 0.00 C ATOM 0 H LEU A 45 -2.878 -1.472 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.454 -2.996 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.280 -3.601 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.397 -3.715 -8.572 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.102 -5.670 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.521 -6.787 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.053 -5.173 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.655 -5.421 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.937 -7.254 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.167 -5.906 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.127 -5.980 -8.097 1.00 0.00 H new ATOM 663 N ASP A 46 -0.199 -3.880 -10.967 1.00 0.00 N ATOM 664 CA ASP A 46 0.000 -4.384 -12.321 1.00 0.00 C ATOM 665 C ASP A 46 -0.370 -3.326 -13.355 1.00 0.00 C ATOM 666 O ASP A 46 -1.030 -3.620 -14.351 1.00 0.00 O ATOM 667 CB ASP A 46 -0.832 -5.647 -12.545 1.00 0.00 C ATOM 668 CG ASP A 46 -0.448 -6.376 -13.818 1.00 0.00 C ATOM 669 OD1 ASP A 46 -1.026 -6.061 -14.879 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.431 -7.261 -13.753 1.00 0.00 O ATOM 0 H ASP A 46 0.645 -3.866 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 46 1.056 -4.628 -12.440 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.706 -6.317 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.888 -5.380 -12.587 1.00 0.00 H new ATOM 675 N GLY A 47 0.058 -2.091 -13.111 1.00 0.00 N ATOM 676 CA GLY A 47 -0.239 -1.007 -14.029 1.00 0.00 C ATOM 677 C GLY A 47 -1.726 -0.735 -14.142 1.00 0.00 C ATOM 678 O GLY A 47 -2.235 -0.464 -15.230 1.00 0.00 O ATOM 0 H GLY A 47 0.605 -1.822 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.268 -0.102 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.159 -1.250 -15.014 1.00 0.00 H new ATOM 682 N LYS A 48 -2.427 -0.808 -13.015 1.00 0.00 N ATOM 683 CA LYS A 48 -3.865 -0.567 -12.991 1.00 0.00 C ATOM 684 C LYS A 48 -4.303 -0.023 -11.635 1.00 0.00 C ATOM 685 O LYS A 48 -3.693 -0.300 -10.602 1.00 0.00 O ATOM 686 CB LYS A 48 -4.624 -1.859 -13.303 1.00 0.00 C ATOM 687 CG LYS A 48 -4.125 -2.573 -14.547 1.00 0.00 C ATOM 688 CD LYS A 48 -4.943 -3.819 -14.841 1.00 0.00 C ATOM 689 CE LYS A 48 -6.398 -3.477 -15.124 1.00 0.00 C ATOM 690 NZ LYS A 48 -7.192 -3.351 -13.870 1.00 0.00 N ATOM 0 H LYS A 48 -2.022 -1.032 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.096 0.177 -13.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.543 -2.533 -12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.682 -1.628 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.173 -1.896 -15.400 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.078 -2.847 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.518 -4.341 -15.698 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.887 -4.501 -13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.449 -2.542 -15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.837 -4.250 -15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.023 -3.974 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.603 -3.624 -13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.505 -2.366 -13.755 1.00 0.00 H new ATOM 704 N PRO A 49 -5.385 0.770 -11.637 1.00 0.00 N ATOM 705 CA PRO A 49 -5.929 1.368 -10.414 1.00 0.00 C ATOM 706 C PRO A 49 -6.568 0.332 -9.496 1.00 0.00 C ATOM 707 O PRO A 49 -7.638 -0.200 -9.793 1.00 0.00 O ATOM 708 CB PRO A 49 -6.986 2.344 -10.937 1.00 0.00 C ATOM 709 CG PRO A 49 -7.391 1.791 -12.260 1.00 0.00 C ATOM 710 CD PRO A 49 -6.160 1.143 -12.831 1.00 0.00 C ATOM 0 HA PRO A 49 -5.153 1.840 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.836 2.408 -10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.581 3.351 -11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.198 1.067 -12.150 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.758 2.580 -12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.409 0.272 -13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.606 1.829 -13.472 1.00 0.00 H new ATOM 718 N VAL A 50 -5.906 0.049 -8.379 1.00 0.00 N ATOM 719 CA VAL A 50 -6.410 -0.923 -7.417 1.00 0.00 C ATOM 720 C VAL A 50 -7.471 -0.303 -6.513 1.00 0.00 C ATOM 721 O VAL A 50 -7.226 0.708 -5.856 1.00 0.00 O ATOM 722 CB VAL A 50 -5.275 -1.490 -6.543 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.591 -0.375 -5.767 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.811 -2.556 -5.600 1.00 0.00 C ATOM 0 H VAL A 50 -5.019 0.479 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.855 -1.735 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.535 -1.953 -7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.792 -0.794 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.171 0.350 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.319 0.120 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.996 -2.946 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.572 -2.120 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.250 -3.368 -6.180 1.00 0.00 H new ATOM 734 N ARG A 51 -8.649 -0.917 -6.486 1.00 0.00 N ATOM 735 CA ARG A 51 -9.748 -0.425 -5.664 1.00 0.00 C ATOM 736 C ARG A 51 -9.928 -1.292 -4.421 1.00 0.00 C ATOM 737 O ARG A 51 -9.616 -2.483 -4.415 1.00 0.00 O ATOM 738 CB ARG A 51 -11.046 -0.398 -6.473 1.00 0.00 C ATOM 739 CG ARG A 51 -11.555 -1.779 -6.853 1.00 0.00 C ATOM 740 CD ARG A 51 -12.895 -1.701 -7.569 1.00 0.00 C ATOM 741 NE ARG A 51 -13.444 -3.026 -7.847 1.00 0.00 N ATOM 742 CZ ARG A 51 -12.971 -3.834 -8.789 1.00 0.00 C ATOM 743 NH1 ARG A 51 -11.945 -3.455 -9.539 1.00 0.00 N ATOM 744 NH2 ARG A 51 -13.524 -5.025 -8.983 1.00 0.00 N ATOM 0 H ARG A 51 -8.867 -1.756 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.505 0.589 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.814 0.117 -5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.886 0.184 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.826 -2.273 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.655 -2.391 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.600 -1.137 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.775 -1.154 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.233 -3.348 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.517 -2.541 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.584 -4.078 -10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.313 -5.321 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.160 -5.645 -9.707 1.00 0.00 H new ATOM 758 N PRO A 52 -10.442 -0.681 -3.343 1.00 0.00 N ATOM 759 CA PRO A 52 -10.675 -1.379 -2.075 1.00 0.00 C ATOM 760 C PRO A 52 -11.814 -2.388 -2.169 1.00 0.00 C ATOM 761 O PRO A 52 -12.886 -2.082 -2.692 1.00 0.00 O ATOM 762 CB PRO A 52 -11.041 -0.248 -1.110 1.00 0.00 C ATOM 763 CG PRO A 52 -11.588 0.830 -1.981 1.00 0.00 C ATOM 764 CD PRO A 52 -10.836 0.736 -3.279 1.00 0.00 C ATOM 0 HA PRO A 52 -9.806 -1.960 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.777 -0.576 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.169 0.096 -0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.658 0.698 -2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.452 1.809 -1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.461 1.018 -4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.968 1.395 -3.289 1.00 0.00 H new ATOM 772 N ASP A 53 -11.576 -3.591 -1.658 1.00 0.00 N ATOM 773 CA ASP A 53 -12.583 -4.645 -1.683 1.00 0.00 C ATOM 774 C ASP A 53 -12.531 -5.477 -0.406 1.00 0.00 C ATOM 775 O ASP A 53 -11.751 -5.190 0.502 1.00 0.00 O ATOM 776 CB ASP A 53 -12.379 -5.546 -2.902 1.00 0.00 C ATOM 777 CG ASP A 53 -13.671 -6.186 -3.372 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.498 -5.475 -3.980 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.855 -7.398 -3.132 1.00 0.00 O ATOM 0 H ASP A 53 -10.694 -3.860 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.564 -4.174 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.950 -4.960 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.659 -6.326 -2.657 1.00 0.00 H new ATOM 784 N SER A 54 -13.369 -6.507 -0.342 1.00 0.00 N ATOM 785 CA SER A 54 -13.422 -7.378 0.827 1.00 0.00 C ATOM 786 C SER A 54 -12.017 -7.724 1.311 1.00 0.00 C ATOM 787 O SER A 54 -11.756 -7.766 2.512 1.00 0.00 O ATOM 788 CB SER A 54 -14.191 -8.659 0.500 1.00 0.00 C ATOM 789 OG SER A 54 -15.577 -8.500 0.752 1.00 0.00 O ATOM 0 H SER A 54 -14.020 -6.759 -1.085 1.00 0.00 H new ATOM 0 HA SER A 54 -13.941 -6.845 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.036 -8.923 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.802 -9.483 1.098 1.00 0.00 H new ATOM 0 HG SER A 54 -16.047 -9.332 0.534 1.00 0.00 H new ATOM 795 N ALA A 55 -11.117 -7.971 0.365 1.00 0.00 N ATOM 796 CA ALA A 55 -9.738 -8.311 0.693 1.00 0.00 C ATOM 797 C ALA A 55 -8.873 -7.060 0.795 1.00 0.00 C ATOM 798 O ALA A 55 -8.142 -6.875 1.769 1.00 0.00 O ATOM 799 CB ALA A 55 -9.168 -9.266 -0.346 1.00 0.00 C ATOM 0 H ALA A 55 -11.318 -7.942 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.733 -8.804 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.138 -9.511 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.764 -10.178 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.194 -8.793 -1.328 1.00 0.00 H new ATOM 805 N HIS A 56 -8.959 -6.202 -0.217 1.00 0.00 N ATOM 806 CA HIS A 56 -8.183 -4.967 -0.241 1.00 0.00 C ATOM 807 C HIS A 56 -8.829 -3.903 0.642 1.00 0.00 C ATOM 808 O HIS A 56 -9.856 -3.326 0.286 1.00 0.00 O ATOM 809 CB HIS A 56 -8.054 -4.449 -1.673 1.00 0.00 C ATOM 810 CG HIS A 56 -7.332 -5.389 -2.588 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.947 -6.456 -3.209 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.039 -5.418 -2.988 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.063 -7.101 -3.949 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.897 -6.491 -3.832 1.00 0.00 N ATOM 0 H HIS A 56 -9.558 -6.339 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.189 -5.183 0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.050 -4.259 -2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.529 -3.494 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.263 -4.725 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.260 -7.978 -4.548 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.032 -6.772 -4.294 1.00 0.00 H new ATOM 822 N LYS A 57 -8.219 -3.648 1.795 1.00 0.00 N ATOM 823 CA LYS A 57 -8.733 -2.654 2.729 1.00 0.00 C ATOM 824 C LYS A 57 -7.734 -1.515 2.915 1.00 0.00 C ATOM 825 O LYS A 57 -6.711 -1.678 3.580 1.00 0.00 O ATOM 826 CB LYS A 57 -9.040 -3.303 4.080 1.00 0.00 C ATOM 827 CG LYS A 57 -9.728 -2.370 5.061 1.00 0.00 C ATOM 828 CD LYS A 57 -10.616 -3.135 6.029 1.00 0.00 C ATOM 829 CE LYS A 57 -9.839 -3.594 7.253 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.172 -4.906 7.027 1.00 0.00 N ATOM 0 H LYS A 57 -7.368 -4.117 2.105 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.653 -2.243 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.671 -4.177 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.110 -3.659 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.978 -1.810 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.327 -1.642 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.447 -2.502 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.046 -4.000 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.090 -2.845 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.515 -3.672 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.448 -5.570 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.461 -5.288 6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.140 -4.778 7.041 1.00 0.00 H new ATOM 844 N MET A 58 -8.039 -0.364 2.325 1.00 0.00 N ATOM 845 CA MET A 58 -7.169 0.801 2.429 1.00 0.00 C ATOM 846 C MET A 58 -7.593 1.694 3.592 1.00 0.00 C ATOM 847 O MET A 58 -8.732 2.159 3.647 1.00 0.00 O ATOM 848 CB MET A 58 -7.191 1.599 1.124 1.00 0.00 C ATOM 849 CG MET A 58 -6.510 0.888 -0.034 1.00 0.00 C ATOM 850 SD MET A 58 -7.416 -0.571 -0.583 1.00 0.00 S ATOM 851 CE MET A 58 -7.283 -0.402 -2.361 1.00 0.00 C ATOM 0 H MET A 58 -8.882 -0.213 1.770 1.00 0.00 H new ATOM 0 HA MET A 58 -6.154 0.450 2.614 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.226 1.808 0.853 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.703 2.560 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.404 1.581 -0.869 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.504 0.595 0.266 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.535 -1.350 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.970 0.371 -2.705 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.263 -0.124 -2.625 1.00 0.00 H new ATOM 861 N LEU A 59 -6.670 1.929 4.518 1.00 0.00 N ATOM 862 CA LEU A 59 -6.948 2.766 5.680 1.00 0.00 C ATOM 863 C LEU A 59 -6.461 4.194 5.452 1.00 0.00 C ATOM 864 O LEU A 59 -5.544 4.430 4.665 1.00 0.00 O ATOM 865 CB LEU A 59 -6.282 2.181 6.926 1.00 0.00 C ATOM 866 CG LEU A 59 -7.072 1.101 7.665 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.858 -0.257 7.016 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.675 1.061 9.134 1.00 0.00 C ATOM 0 H LEU A 59 -5.723 1.552 4.487 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.027 2.789 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.318 1.763 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.080 2.995 7.622 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.132 1.347 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.428 -1.012 7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.193 -0.222 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.799 -0.512 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.247 0.286 9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.611 0.840 9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.882 2.028 9.593 1.00 0.00 H new ATOM 880 N VAL A 60 -7.080 5.143 6.146 1.00 0.00 N ATOM 881 CA VAL A 60 -6.708 6.547 6.022 1.00 0.00 C ATOM 882 C VAL A 60 -6.493 7.182 7.391 1.00 0.00 C ATOM 883 O VAL A 60 -7.449 7.446 8.121 1.00 0.00 O ATOM 884 CB VAL A 60 -7.781 7.347 5.260 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.333 8.787 5.061 1.00 0.00 C ATOM 886 CG2 VAL A 60 -8.091 6.686 3.926 1.00 0.00 C ATOM 0 H VAL A 60 -7.842 4.965 6.800 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.775 6.578 5.460 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.694 7.356 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.104 9.337 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.167 9.254 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.406 8.804 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.851 7.265 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.185 6.644 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.459 5.675 4.098 1.00 0.00 H new ATOM 896 N ARG A 61 -5.232 7.425 7.734 1.00 0.00 N ATOM 897 CA ARG A 61 -4.891 8.028 9.016 1.00 0.00 C ATOM 898 C ARG A 61 -5.144 9.532 8.994 1.00 0.00 C ATOM 899 O ARG A 61 -5.214 10.143 7.928 1.00 0.00 O ATOM 900 CB ARG A 61 -3.426 7.751 9.361 1.00 0.00 C ATOM 901 CG ARG A 61 -3.093 6.272 9.463 1.00 0.00 C ATOM 902 CD ARG A 61 -3.453 5.713 10.830 1.00 0.00 C ATOM 903 NE ARG A 61 -2.754 4.461 11.111 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.111 3.290 10.596 1.00 0.00 C ATOM 905 NH1 ARG A 61 -4.151 3.210 9.778 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.425 2.195 10.898 1.00 0.00 N ATOM 0 H ARG A 61 -4.430 7.213 7.141 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.528 7.581 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.790 8.206 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.187 8.235 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.631 5.723 8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.029 6.124 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.206 6.446 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.529 5.547 10.882 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.949 4.488 11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.680 4.050 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.422 2.309 9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.623 2.252 11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.700 1.296 10.502 1.00 0.00 H new ATOM 920 N GLU A 62 -5.281 10.122 10.177 1.00 0.00 N ATOM 921 CA GLU A 62 -5.528 11.555 10.292 1.00 0.00 C ATOM 922 C GLU A 62 -4.232 12.344 10.137 1.00 0.00 C ATOM 923 O GLU A 62 -4.002 12.985 9.112 1.00 0.00 O ATOM 924 CB GLU A 62 -6.176 11.877 11.641 1.00 0.00 C ATOM 925 CG GLU A 62 -6.582 13.333 11.788 1.00 0.00 C ATOM 926 CD GLU A 62 -7.869 13.658 11.055 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.954 13.413 11.622 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.790 14.157 9.913 1.00 0.00 O ATOM 0 H GLU A 62 -5.225 9.630 11.069 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.208 11.846 9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.057 11.248 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.480 11.620 12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.702 13.568 12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.782 13.969 11.409 1.00 0.00 H new ATOM 935 N ASN A 63 -3.388 12.293 11.163 1.00 0.00 N ATOM 936 CA ASN A 63 -2.115 13.004 11.142 1.00 0.00 C ATOM 937 C ASN A 63 -1.531 13.032 9.733 1.00 0.00 C ATOM 938 O ASN A 63 -0.890 14.004 9.335 1.00 0.00 O ATOM 939 CB ASN A 63 -1.124 12.346 12.104 1.00 0.00 C ATOM 940 CG ASN A 63 -1.538 12.500 13.555 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.148 13.499 13.936 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.207 11.508 14.373 1.00 0.00 N ATOM 0 H ASN A 63 -3.563 11.767 12.019 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.295 14.030 11.462 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.038 11.286 11.864 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.137 12.786 11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.459 11.556 15.360 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.701 10.698 14.014 1.00 0.00 H new ATOM 949 N GLY A 64 -1.758 11.959 8.982 1.00 0.00 N ATOM 950 CA GLY A 64 -1.249 11.881 7.626 1.00 0.00 C ATOM 951 C GLY A 64 -0.473 10.604 7.371 1.00 0.00 C ATOM 952 O GLY A 64 0.756 10.619 7.303 1.00 0.00 O ATOM 0 H GLY A 64 -2.286 11.142 9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.081 11.943 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.605 12.739 7.433 1.00 0.00 H new ATOM 956 N VAL A 65 -1.191 9.494 7.230 1.00 0.00 N ATOM 957 CA VAL A 65 -0.562 8.202 6.982 1.00 0.00 C ATOM 958 C VAL A 65 -1.532 7.241 6.304 1.00 0.00 C ATOM 959 O VAL A 65 -2.719 7.208 6.628 1.00 0.00 O ATOM 960 CB VAL A 65 -0.054 7.565 8.289 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.175 6.073 8.102 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.219 8.254 8.758 1.00 0.00 C ATOM 0 H VAL A 65 -2.209 9.464 7.283 1.00 0.00 H new ATOM 0 HA VAL A 65 0.286 8.384 6.322 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.816 7.698 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.534 5.640 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.762 5.594 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.917 5.914 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.564 7.791 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.989 8.155 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.017 9.310 8.935 1.00 0.00 H new ATOM 972 N HIS A 66 -1.017 6.458 5.361 1.00 0.00 N ATOM 973 CA HIS A 66 -1.837 5.493 4.636 1.00 0.00 C ATOM 974 C HIS A 66 -1.347 4.070 4.883 1.00 0.00 C ATOM 975 O HIS A 66 -0.195 3.856 5.259 1.00 0.00 O ATOM 976 CB HIS A 66 -1.818 5.799 3.138 1.00 0.00 C ATOM 977 CG HIS A 66 -2.885 6.759 2.709 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.091 7.977 3.322 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.805 6.676 1.721 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.094 8.601 2.730 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.545 7.832 1.754 1.00 0.00 N ATOM 0 H HIS A 66 -0.036 6.473 5.081 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.860 5.575 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.844 6.209 2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.935 4.868 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.934 5.853 1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.480 9.574 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.317 8.060 1.128 1.00 0.00 H new ATOM 989 N SER A 67 -2.231 3.100 4.671 1.00 0.00 N ATOM 990 CA SER A 67 -1.890 1.697 4.875 1.00 0.00 C ATOM 991 C SER A 67 -2.720 0.798 3.964 1.00 0.00 C ATOM 992 O SER A 67 -3.950 0.798 4.025 1.00 0.00 O ATOM 993 CB SER A 67 -2.111 1.304 6.337 1.00 0.00 C ATOM 994 OG SER A 67 -1.143 1.906 7.179 1.00 0.00 O ATOM 0 H SER A 67 -3.189 3.260 4.358 1.00 0.00 H new ATOM 0 HA SER A 67 -0.837 1.565 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.110 1.607 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.061 0.220 6.437 1.00 0.00 H new ATOM 0 HG SER A 67 -0.290 1.433 7.087 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.038 0.032 3.119 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.711 -0.873 2.194 1.00 0.00 C ATOM 1002 C LEU A 68 -2.708 -2.301 2.730 1.00 0.00 C ATOM 1003 O LEU A 68 -1.714 -3.018 2.609 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.033 -0.830 0.824 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.436 -1.929 -0.160 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -3.915 -1.828 -0.497 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -1.592 -1.849 -1.424 1.00 0.00 C ATOM 0 H LEU A 68 -1.020 0.020 3.056 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.745 -0.545 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.246 0.136 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.954 -0.881 0.973 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.257 -2.895 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.183 -2.618 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.504 -1.936 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.120 -0.857 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.893 -2.639 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.738 -0.879 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.540 -1.973 -1.167 1.00 0.00 H new ATOM 1019 N ILE A 69 -3.826 -2.708 3.322 1.00 0.00 N ATOM 1020 CA ILE A 69 -3.953 -4.051 3.873 1.00 0.00 C ATOM 1021 C ILE A 69 -4.666 -4.981 2.897 1.00 0.00 C ATOM 1022 O ILE A 69 -5.619 -4.582 2.227 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.721 -4.041 5.208 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.028 -3.119 6.213 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -4.832 -5.453 5.766 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.843 -2.866 7.462 1.00 0.00 C ATOM 0 H ILE A 69 -4.657 -2.127 3.432 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.941 -4.417 4.047 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.727 -3.662 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.071 -3.557 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.812 -2.166 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.377 -5.430 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.365 -6.084 5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.834 -5.857 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.290 -2.205 8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.790 -2.399 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.037 -3.812 7.968 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.198 -6.223 2.823 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.793 -7.210 1.931 1.00 0.00 C ATOM 1040 C ILE A 70 -4.977 -8.549 2.637 1.00 0.00 C ATOM 1041 O ILE A 70 -4.007 -9.251 2.920 1.00 0.00 O ATOM 1042 CB ILE A 70 -3.932 -7.422 0.671 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.665 -6.084 -0.021 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.616 -8.390 -0.282 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.430 -6.090 -0.893 1.00 0.00 C ATOM 0 H ILE A 70 -3.409 -6.569 3.370 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.767 -6.821 1.635 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.976 -7.853 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.529 -5.821 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.561 -5.307 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.995 -8.529 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.760 -9.349 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.584 -7.986 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.303 -5.109 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.556 -6.322 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.539 -6.844 -1.673 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.229 -8.897 2.918 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.540 -10.153 3.590 1.00 0.00 C ATOM 1059 C GLU A 71 -7.958 -10.610 3.260 1.00 0.00 C ATOM 1060 O GLU A 71 -8.933 -9.885 3.459 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.381 -9.999 5.104 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.283 -11.322 5.844 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.637 -11.855 6.270 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.278 -12.560 5.463 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -8.057 -11.566 7.410 1.00 0.00 O ATOM 0 H GLU A 71 -7.044 -8.327 2.691 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.841 -10.910 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.486 -9.411 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.229 -9.436 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.793 -12.056 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.653 -11.195 6.725 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.077 -11.842 2.743 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.923 -12.713 2.502 1.00 0.00 C ATOM 1074 C PRO A 72 -6.047 -12.212 1.359 1.00 0.00 C ATOM 1075 O PRO A 72 -6.339 -11.187 0.743 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.562 -14.055 2.136 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.905 -13.700 1.596 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.346 -12.479 2.354 1.00 0.00 C ATOM 0 HA PRO A 72 -6.262 -12.761 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.966 -14.589 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.645 -14.705 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.855 -13.498 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.610 -14.520 1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.953 -11.819 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.947 -12.742 3.224 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.971 -12.941 1.080 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.052 -12.571 0.010 1.00 0.00 C ATOM 1088 C VAL A 73 -4.114 -13.572 -1.138 1.00 0.00 C ATOM 1089 O VAL A 73 -4.213 -14.779 -0.920 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.602 -12.481 0.521 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.625 -12.470 -0.645 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.420 -11.248 1.392 1.00 0.00 C ATOM 0 H VAL A 73 -4.714 -13.792 1.581 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.364 -11.590 -0.350 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.394 -13.361 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.605 -12.406 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.739 -13.386 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.829 -11.610 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.390 -11.200 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.646 -10.355 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.094 -11.304 2.247 1.00 0.00 H new ATOM 1102 N THR A 74 -4.055 -13.062 -2.364 1.00 0.00 N ATOM 1103 CA THR A 74 -4.105 -13.910 -3.548 1.00 0.00 C ATOM 1104 C THR A 74 -2.793 -13.853 -4.322 1.00 0.00 C ATOM 1105 O THR A 74 -1.978 -12.954 -4.114 1.00 0.00 O ATOM 1106 CB THR A 74 -5.258 -13.501 -4.485 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.293 -12.076 -4.624 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.593 -13.996 -3.948 1.00 0.00 C ATOM 0 H THR A 74 -3.972 -12.065 -2.563 1.00 0.00 H new ATOM 0 HA THR A 74 -4.274 -14.929 -3.199 1.00 0.00 H new ATOM 0 HB THR A 74 -5.085 -13.957 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.085 -11.722 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.392 -13.695 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.573 -15.083 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.772 -13.565 -2.963 1.00 0.00 H new ATOM 1116 N SER A 75 -2.595 -14.817 -5.214 1.00 0.00 N ATOM 1117 CA SER A 75 -1.379 -14.878 -6.017 1.00 0.00 C ATOM 1118 C SER A 75 -1.309 -13.702 -6.986 1.00 0.00 C ATOM 1119 O SER A 75 -0.281 -13.468 -7.622 1.00 0.00 O ATOM 1120 CB SER A 75 -1.320 -16.196 -6.792 1.00 0.00 C ATOM 1121 OG SER A 75 -0.208 -16.222 -7.670 1.00 0.00 O ATOM 0 H SER A 75 -3.261 -15.567 -5.399 1.00 0.00 H new ATOM 0 HA SER A 75 -0.524 -14.823 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.255 -17.030 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.240 -16.328 -7.361 1.00 0.00 H new ATOM 0 HG SER A 75 0.089 -15.305 -7.848 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.409 -12.965 -7.093 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.474 -11.813 -7.985 1.00 0.00 C ATOM 1129 C ARG A 76 -2.045 -10.540 -7.262 1.00 0.00 C ATOM 1130 O ARG A 76 -1.637 -9.564 -7.891 1.00 0.00 O ATOM 1131 CB ARG A 76 -3.892 -11.647 -8.536 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.975 -11.777 -7.478 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.314 -11.263 -7.985 1.00 0.00 C ATOM 1134 NE ARG A 76 -7.269 -11.061 -6.900 1.00 0.00 N ATOM 1135 CZ ARG A 76 -8.454 -10.482 -7.062 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -8.826 -10.050 -8.259 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -9.269 -10.334 -6.025 1.00 0.00 N ATOM 0 H ARG A 76 -3.268 -13.145 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.788 -11.988 -8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.976 -10.670 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.061 -12.394 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.073 -12.822 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.684 -11.220 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.164 -10.323 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.726 -11.972 -8.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.013 -11.382 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.202 -10.162 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.736 -9.606 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.986 -10.665 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.178 -9.889 -6.150 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.142 -10.558 -5.937 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.764 -9.406 -5.127 1.00 0.00 C ATOM 1153 C ASP A 77 -0.257 -9.174 -5.182 1.00 0.00 C ATOM 1154 O ASP A 77 0.224 -8.080 -4.887 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.209 -9.606 -3.678 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.709 -9.463 -3.508 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.307 -8.615 -4.203 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.285 -10.201 -2.681 1.00 0.00 O ATOM 0 H ASP A 77 -2.479 -11.358 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.264 -8.527 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.901 -10.595 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.703 -8.879 -3.042 1.00 0.00 H new ATOM 1163 N ALA A 78 0.482 -10.211 -5.561 1.00 0.00 N ATOM 1164 CA ALA A 78 1.934 -10.120 -5.655 1.00 0.00 C ATOM 1165 C ALA A 78 2.359 -9.454 -6.959 1.00 0.00 C ATOM 1166 O ALA A 78 2.121 -9.983 -8.044 1.00 0.00 O ATOM 1167 CB ALA A 78 2.558 -11.503 -5.538 1.00 0.00 C ATOM 0 H ALA A 78 0.099 -11.124 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 78 2.289 -9.502 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.642 -11.420 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.291 -11.943 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.189 -12.138 -6.343 1.00 0.00 H new ATOM 1173 N GLY A 79 2.990 -8.289 -6.846 1.00 0.00 N ATOM 1174 CA GLY A 79 3.437 -7.570 -8.024 1.00 0.00 C ATOM 1175 C GLY A 79 4.188 -6.300 -7.678 1.00 0.00 C ATOM 1176 O GLY A 79 4.873 -6.235 -6.656 1.00 0.00 O ATOM 0 H GLY A 79 3.199 -7.831 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.080 -8.218 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.575 -7.321 -8.643 1.00 0.00 H new ATOM 1180 N ILE A 80 4.063 -5.289 -8.531 1.00 0.00 N ATOM 1181 CA ILE A 80 4.736 -4.015 -8.309 1.00 0.00 C ATOM 1182 C ILE A 80 3.731 -2.902 -8.035 1.00 0.00 C ATOM 1183 O ILE A 80 3.142 -2.341 -8.960 1.00 0.00 O ATOM 1184 CB ILE A 80 5.605 -3.620 -9.518 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.702 -4.662 -9.747 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.213 -2.242 -9.305 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.681 -4.772 -8.599 1.00 0.00 C ATOM 0 H ILE A 80 3.502 -5.327 -9.382 1.00 0.00 H new ATOM 0 HA ILE A 80 5.377 -4.145 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 80 4.973 -3.584 -10.405 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.239 -5.635 -9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.248 -4.409 -10.656 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.824 -1.977 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.417 -1.508 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.834 -2.253 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.430 -5.529 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.172 -3.811 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.147 -5.055 -7.692 1.00 0.00 H new ATOM 1199 N TYR A 81 3.540 -2.585 -6.759 1.00 0.00 N ATOM 1200 CA TYR A 81 2.605 -1.539 -6.363 1.00 0.00 C ATOM 1201 C TYR A 81 3.219 -0.157 -6.561 1.00 0.00 C ATOM 1202 O TYR A 81 4.084 0.268 -5.794 1.00 0.00 O ATOM 1203 CB TYR A 81 2.193 -1.722 -4.901 1.00 0.00 C ATOM 1204 CG TYR A 81 1.252 -2.884 -4.678 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.110 -2.758 -4.925 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.724 -4.108 -4.219 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.974 -3.817 -4.722 1.00 0.00 C ATOM 1208 CE2 TYR A 81 0.868 -5.172 -4.015 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.480 -5.022 -4.267 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.337 -6.079 -4.063 1.00 0.00 O ATOM 0 H TYR A 81 4.020 -3.038 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 81 1.721 -1.618 -6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.088 -1.869 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.717 -0.807 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.500 -1.816 -5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.778 -4.229 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.030 -3.702 -4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.252 -6.117 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.902 -6.911 -4.343 1.00 0.00 H new ATOM 1220 N THR A 82 2.764 0.543 -7.596 1.00 0.00 N ATOM 1221 CA THR A 82 3.267 1.877 -7.897 1.00 0.00 C ATOM 1222 C THR A 82 2.295 2.951 -7.423 1.00 0.00 C ATOM 1223 O THR A 82 1.253 3.174 -8.039 1.00 0.00 O ATOM 1224 CB THR A 82 3.516 2.056 -9.407 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.302 0.968 -9.906 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.226 3.372 -9.686 1.00 0.00 C ATOM 0 H THR A 82 2.048 0.207 -8.240 1.00 0.00 H new ATOM 0 HA THR A 82 4.212 1.986 -7.365 1.00 0.00 H new ATOM 0 HB THR A 82 2.551 2.068 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.226 1.061 -9.593 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.391 3.476 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.611 4.199 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.185 3.385 -9.168 1.00 0.00 H new ATOM 1234 N CYS A 83 2.643 3.614 -6.326 1.00 0.00 N ATOM 1235 CA CYS A 83 1.800 4.666 -5.768 1.00 0.00 C ATOM 1236 C CYS A 83 2.246 6.039 -6.261 1.00 0.00 C ATOM 1237 O CYS A 83 3.414 6.239 -6.596 1.00 0.00 O ATOM 1238 CB CYS A 83 1.837 4.622 -4.240 1.00 0.00 C ATOM 1239 SG CYS A 83 0.949 5.979 -3.441 1.00 0.00 S ATOM 0 H CYS A 83 3.503 3.442 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 83 0.777 4.494 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.412 3.676 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.876 4.639 -3.912 1.00 0.00 H new ATOM 0 HG CYS A 83 1.141 5.926 -2.156 1.00 0.00 H new ATOM 1245 N ILE A 84 1.309 6.979 -6.305 1.00 0.00 N ATOM 1246 CA ILE A 84 1.606 8.333 -6.757 1.00 0.00 C ATOM 1247 C ILE A 84 0.900 9.370 -5.890 1.00 0.00 C ATOM 1248 O ILE A 84 -0.310 9.566 -6.001 1.00 0.00 O ATOM 1249 CB ILE A 84 1.190 8.539 -8.226 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.959 7.579 -9.136 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.430 9.981 -8.646 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.192 7.177 -10.376 1.00 0.00 C ATOM 0 H ILE A 84 0.337 6.829 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 84 2.684 8.465 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 84 0.125 8.325 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.897 8.047 -9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.216 6.683 -8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.131 10.111 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.843 10.647 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.488 10.220 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.798 6.496 -10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.266 6.680 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.958 8.065 -10.963 1.00 0.00 H new ATOM 1264 N ALA A 85 1.665 10.032 -5.029 1.00 0.00 N ATOM 1265 CA ALA A 85 1.114 11.052 -4.146 1.00 0.00 C ATOM 1266 C ALA A 85 1.150 12.427 -4.805 1.00 0.00 C ATOM 1267 O ALA A 85 2.211 13.039 -4.933 1.00 0.00 O ATOM 1268 CB ALA A 85 1.874 11.077 -2.828 1.00 0.00 C ATOM 0 H ALA A 85 2.668 9.880 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 85 0.072 10.800 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.451 11.844 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.792 10.105 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.924 11.301 -3.018 1.00 0.00 H new ATOM 1274 N THR A 86 -0.017 12.909 -5.223 1.00 0.00 N ATOM 1275 CA THR A 86 -0.118 14.210 -5.871 1.00 0.00 C ATOM 1276 C THR A 86 -0.739 15.243 -4.937 1.00 0.00 C ATOM 1277 O THR A 86 -1.882 15.096 -4.506 1.00 0.00 O ATOM 1278 CB THR A 86 -0.956 14.132 -7.161 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.820 12.837 -7.755 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.522 15.200 -8.154 1.00 0.00 C ATOM 0 H THR A 86 -0.905 12.417 -5.124 1.00 0.00 H new ATOM 0 HA THR A 86 0.897 14.516 -6.124 1.00 0.00 H new ATOM 0 HB THR A 86 -2.000 14.304 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.357 12.795 -8.574 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.128 15.125 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.655 16.186 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.528 15.055 -8.409 1.00 0.00 H new ATOM 1288 N ASN A 87 0.022 16.288 -4.627 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.455 17.345 -3.744 1.00 0.00 C ATOM 1290 C ASN A 87 -0.489 18.687 -4.470 1.00 0.00 C ATOM 1291 O ASN A 87 0.041 18.821 -5.573 1.00 0.00 O ATOM 1292 CB ASN A 87 0.438 17.445 -2.505 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.214 18.231 -1.384 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.435 18.217 -1.230 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.600 18.921 -0.594 1.00 0.00 N ATOM 0 H ASN A 87 0.971 16.425 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.469 17.094 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.677 16.442 -2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.381 17.920 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.219 19.468 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.606 18.904 -0.759 1.00 0.00 H new ATOM 1302 N ARG A 88 -1.115 19.677 -3.842 1.00 0.00 N ATOM 1303 CA ARG A 88 -1.219 21.008 -4.428 1.00 0.00 C ATOM 1304 C ARG A 88 0.162 21.560 -4.772 1.00 0.00 C ATOM 1305 O ARG A 88 0.294 22.448 -5.613 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.935 21.958 -3.466 1.00 0.00 C ATOM 1307 CG ARG A 88 -2.136 23.356 -4.028 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.309 23.405 -4.994 1.00 0.00 C ATOM 1309 NE ARG A 88 -3.917 24.732 -5.049 1.00 0.00 N ATOM 1310 CZ ARG A 88 -4.817 25.165 -4.173 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.209 24.380 -3.179 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -5.325 26.385 -4.290 1.00 0.00 N ATOM 0 H ARG A 88 -1.558 19.583 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.799 20.928 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.906 21.536 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.361 22.026 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.307 24.057 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.229 23.678 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.971 23.120 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.059 22.675 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.635 25.361 -5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.819 23.442 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.900 24.714 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.025 26.991 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.016 26.716 -3.617 1.00 0.00 H new ATOM 1326 N ALA A 89 1.186 21.028 -4.113 1.00 0.00 N ATOM 1327 CA ALA A 89 2.556 21.466 -4.350 1.00 0.00 C ATOM 1328 C ALA A 89 3.164 20.744 -5.548 1.00 0.00 C ATOM 1329 O ALA A 89 3.554 21.373 -6.531 1.00 0.00 O ATOM 1330 CB ALA A 89 3.405 21.238 -3.108 1.00 0.00 C ATOM 0 H ALA A 89 1.093 20.294 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 89 2.537 22.533 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.426 21.569 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.990 21.804 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.409 20.177 -2.860 1.00 0.00 H new ATOM 1336 N GLY A 90 3.243 19.420 -5.458 1.00 0.00 N ATOM 1337 CA GLY A 90 3.806 18.635 -6.541 1.00 0.00 C ATOM 1338 C GLY A 90 3.252 17.225 -6.584 1.00 0.00 C ATOM 1339 O GLY A 90 2.073 17.006 -6.309 1.00 0.00 O ATOM 0 H GLY A 90 2.927 18.877 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.602 19.131 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.890 18.593 -6.430 1.00 0.00 H new ATOM 1343 N GLN A 91 4.106 16.266 -6.930 1.00 0.00 N ATOM 1344 CA GLN A 91 3.693 14.870 -7.010 1.00 0.00 C ATOM 1345 C GLN A 91 4.894 13.939 -6.874 1.00 0.00 C ATOM 1346 O GLN A 91 5.989 14.252 -7.340 1.00 0.00 O ATOM 1347 CB GLN A 91 2.974 14.603 -8.333 1.00 0.00 C ATOM 1348 CG GLN A 91 2.822 13.125 -8.656 1.00 0.00 C ATOM 1349 CD GLN A 91 4.055 12.543 -9.317 1.00 0.00 C ATOM 1350 OE1 GLN A 91 4.692 11.636 -8.780 1.00 0.00 O ATOM 1351 NE2 GLN A 91 4.400 13.062 -10.490 1.00 0.00 N ATOM 0 H GLN A 91 5.086 16.430 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 91 3.007 14.673 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.986 15.062 -8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.523 15.088 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.613 12.576 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.963 12.987 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.844 13.813 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.221 12.710 -10.982 1.00 0.00 H new ATOM 1360 N ASN A 92 4.680 12.795 -6.232 1.00 0.00 N ATOM 1361 CA ASN A 92 5.746 11.819 -6.034 1.00 0.00 C ATOM 1362 C ASN A 92 5.223 10.398 -6.216 1.00 0.00 C ATOM 1363 O ASN A 92 4.023 10.147 -6.099 1.00 0.00 O ATOM 1364 CB ASN A 92 6.357 11.976 -4.640 1.00 0.00 C ATOM 1365 CG ASN A 92 7.493 12.980 -4.616 1.00 0.00 C ATOM 1366 OD1 ASN A 92 7.268 14.189 -4.655 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.722 12.481 -4.551 1.00 0.00 N ATOM 0 H ASN A 92 3.779 12.521 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 92 6.516 12.002 -6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.583 12.291 -3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.723 11.009 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.527 13.108 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.861 11.471 -4.520 1.00 0.00 H new ATOM 1374 N SER A 93 6.131 9.471 -6.502 1.00 0.00 N ATOM 1375 CA SER A 93 5.761 8.074 -6.703 1.00 0.00 C ATOM 1376 C SER A 93 6.817 7.143 -6.116 1.00 0.00 C ATOM 1377 O SER A 93 7.937 7.561 -5.824 1.00 0.00 O ATOM 1378 CB SER A 93 5.578 7.783 -8.194 1.00 0.00 C ATOM 1379 OG SER A 93 5.511 6.388 -8.436 1.00 0.00 O ATOM 0 H SER A 93 7.128 9.661 -6.600 1.00 0.00 H new ATOM 0 HA SER A 93 4.818 7.895 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.667 8.262 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.406 8.214 -8.756 1.00 0.00 H new ATOM 0 HG SER A 93 4.771 6.002 -7.922 1.00 0.00 H new ATOM 1385 N PHE A 94 6.451 5.876 -5.947 1.00 0.00 N ATOM 1386 CA PHE A 94 7.366 4.884 -5.394 1.00 0.00 C ATOM 1387 C PHE A 94 6.897 3.470 -5.724 1.00 0.00 C ATOM 1388 O PHE A 94 5.708 3.164 -5.646 1.00 0.00 O ATOM 1389 CB PHE A 94 7.481 5.054 -3.878 1.00 0.00 C ATOM 1390 CG PHE A 94 6.439 4.293 -3.108 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.647 2.968 -2.760 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.253 4.902 -2.733 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.690 2.265 -2.052 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.292 4.205 -2.025 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.512 2.885 -1.684 1.00 0.00 C ATOM 0 H PHE A 94 5.528 5.513 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 94 8.346 5.038 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.470 4.726 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.402 6.113 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.567 2.479 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.077 5.934 -2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.863 1.232 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.371 4.692 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.764 2.338 -1.130 1.00 0.00 H new ATOM 1405 N SER A 95 7.843 2.611 -6.094 1.00 0.00 N ATOM 1406 CA SER A 95 7.528 1.230 -6.441 1.00 0.00 C ATOM 1407 C SER A 95 8.045 0.271 -5.374 1.00 0.00 C ATOM 1408 O SER A 95 9.079 0.516 -4.750 1.00 0.00 O ATOM 1409 CB SER A 95 8.132 0.873 -7.800 1.00 0.00 C ATOM 1410 OG SER A 95 7.345 1.390 -8.860 1.00 0.00 O ATOM 0 H SER A 95 8.833 2.847 -6.161 1.00 0.00 H new ATOM 0 HA SER A 95 6.444 1.133 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.145 1.271 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.208 -0.210 -7.894 1.00 0.00 H new ATOM 0 HG SER A 95 7.753 1.149 -9.718 1.00 0.00 H new ATOM 1416 N LEU A 96 7.320 -0.823 -5.169 1.00 0.00 N ATOM 1417 CA LEU A 96 7.705 -1.822 -4.178 1.00 0.00 C ATOM 1418 C LEU A 96 7.484 -3.233 -4.712 1.00 0.00 C ATOM 1419 O LEU A 96 6.769 -3.430 -5.694 1.00 0.00 O ATOM 1420 CB LEU A 96 6.907 -1.622 -2.888 1.00 0.00 C ATOM 1421 CG LEU A 96 5.476 -2.160 -2.894 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.447 -3.606 -2.426 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.578 -1.297 -2.019 1.00 0.00 C ATOM 0 H LEU A 96 6.462 -1.041 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 96 8.767 -1.697 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.449 -2.098 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.872 -0.555 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 96 5.099 -2.123 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.420 -3.971 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.057 -4.216 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.843 -3.668 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.563 -1.695 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.953 -1.302 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.573 -0.275 -2.399 1.00 0.00 H new ATOM 1435 N GLU A 97 8.100 -4.212 -4.057 1.00 0.00 N ATOM 1436 CA GLU A 97 7.969 -5.605 -4.466 1.00 0.00 C ATOM 1437 C GLU A 97 7.322 -6.438 -3.363 1.00 0.00 C ATOM 1438 O GLU A 97 7.599 -6.242 -2.179 1.00 0.00 O ATOM 1439 CB GLU A 97 9.338 -6.187 -4.823 1.00 0.00 C ATOM 1440 CG GLU A 97 9.319 -7.687 -5.061 1.00 0.00 C ATOM 1441 CD GLU A 97 10.681 -8.326 -4.866 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.312 -8.070 -3.820 1.00 0.00 O ATOM 1443 OE2 GLU A 97 11.114 -9.083 -5.760 1.00 0.00 O ATOM 0 H GLU A 97 8.694 -4.066 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 97 7.328 -5.639 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.712 -5.690 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.039 -5.964 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.604 -8.150 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.970 -7.886 -6.074 1.00 0.00 H new ATOM 1450 N LEU A 98 6.459 -7.367 -3.760 1.00 0.00 N ATOM 1451 CA LEU A 98 5.771 -8.230 -2.805 1.00 0.00 C ATOM 1452 C LEU A 98 5.691 -9.661 -3.325 1.00 0.00 C ATOM 1453 O LEU A 98 5.166 -9.910 -4.411 1.00 0.00 O ATOM 1454 CB LEU A 98 4.365 -7.697 -2.527 1.00 0.00 C ATOM 1455 CG LEU A 98 3.424 -8.643 -1.782 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.792 -8.711 -0.308 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.977 -8.201 -1.952 1.00 0.00 C ATOM 0 H LEU A 98 6.219 -7.542 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 98 6.342 -8.231 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.455 -6.777 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.904 -7.433 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 98 3.531 -9.640 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.111 -9.389 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.814 -9.075 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.715 -7.717 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.322 -8.886 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.855 -7.194 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.717 -8.205 -3.011 1.00 0.00 H new ATOM 1469 N VAL A 99 6.214 -10.600 -2.543 1.00 0.00 N ATOM 1470 CA VAL A 99 6.199 -12.008 -2.922 1.00 0.00 C ATOM 1471 C VAL A 99 5.123 -12.771 -2.158 1.00 0.00 C ATOM 1472 O VAL A 99 5.002 -12.643 -0.940 1.00 0.00 O ATOM 1473 CB VAL A 99 7.564 -12.673 -2.667 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.514 -14.150 -3.023 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.657 -11.963 -3.451 1.00 0.00 C ATOM 0 H VAL A 99 6.654 -10.411 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 99 5.979 -12.046 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 99 7.797 -12.588 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.488 -14.602 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.760 -14.646 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.258 -14.262 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.615 -12.446 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.432 -12.014 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.708 -10.919 -3.140 1.00 0.00 H new ATOM 1485 N VAL A 100 4.343 -13.567 -2.883 1.00 0.00 N ATOM 1486 CA VAL A 100 3.277 -14.354 -2.274 1.00 0.00 C ATOM 1487 C VAL A 100 3.502 -15.846 -2.492 1.00 0.00 C ATOM 1488 O VAL A 100 3.444 -16.334 -3.620 1.00 0.00 O ATOM 1489 CB VAL A 100 1.898 -13.965 -2.840 1.00 0.00 C ATOM 1490 CG1 VAL A 100 0.816 -14.878 -2.285 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.588 -12.508 -2.533 1.00 0.00 C ATOM 0 H VAL A 100 4.429 -13.684 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 100 3.296 -14.139 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 100 1.921 -14.087 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.151 -14.588 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.033 -15.910 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.789 -14.792 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.610 -12.250 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.583 -12.357 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.348 -11.871 -2.985 1.00 0.00 H new ATOM 1501 N ALA A 101 3.757 -16.565 -1.404 1.00 0.00 N ATOM 1502 CA ALA A 101 3.988 -18.003 -1.476 1.00 0.00 C ATOM 1503 C ALA A 101 2.678 -18.776 -1.362 1.00 0.00 C ATOM 1504 O ALA A 101 1.963 -18.660 -0.368 1.00 0.00 O ATOM 1505 CB ALA A 101 4.955 -18.437 -0.384 1.00 0.00 C ATOM 0 H ALA A 101 3.809 -16.176 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 101 4.429 -18.227 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.119 -19.513 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.905 -17.917 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.535 -18.192 0.592 1.00 0.00 H new ATOM 1511 N ALA A 102 2.371 -19.563 -2.388 1.00 0.00 N ATOM 1512 CA ALA A 102 1.147 -20.356 -2.402 1.00 0.00 C ATOM 1513 C ALA A 102 1.098 -21.311 -1.215 1.00 0.00 C ATOM 1514 O ALA A 102 2.054 -22.041 -0.951 1.00 0.00 O ATOM 1515 CB ALA A 102 1.034 -21.128 -3.708 1.00 0.00 C ATOM 0 H ALA A 102 2.952 -19.669 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 102 0.300 -19.674 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.116 -21.716 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.014 -20.428 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.891 -21.794 -3.812 1.00 0.00 H new ATOM 1521 N LYS A 103 -0.021 -21.301 -0.499 1.00 0.00 N ATOM 1522 CA LYS A 103 -0.196 -22.166 0.661 1.00 0.00 C ATOM 1523 C LYS A 103 0.221 -23.598 0.340 1.00 0.00 C ATOM 1524 O LYS A 103 0.809 -24.285 1.174 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.654 -22.141 1.127 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.637 -22.625 0.076 1.00 0.00 C ATOM 1527 CD LYS A 103 -4.030 -22.806 0.656 1.00 0.00 C ATOM 1528 CE LYS A 103 -4.930 -23.588 -0.289 1.00 0.00 C ATOM 1529 NZ LYS A 103 -5.578 -22.704 -1.297 1.00 0.00 N ATOM 0 H LYS A 103 -0.821 -20.702 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 103 0.442 -21.791 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.753 -22.762 2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.917 -21.124 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.674 -21.910 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.290 -23.571 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.963 -23.327 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.472 -21.830 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.344 -24.352 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.697 -24.106 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.183 -23.275 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.158 -21.990 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.847 -22.229 -1.863 1.00 0.00 H new ATOM 1543 N GLU A 104 -0.087 -24.041 -0.876 1.00 0.00 N ATOM 1544 CA GLU A 104 0.257 -25.391 -1.306 1.00 0.00 C ATOM 1545 C GLU A 104 0.129 -25.528 -2.821 1.00 0.00 C ATOM 1546 O GLU A 104 -0.889 -25.156 -3.405 1.00 0.00 O ATOM 1547 CB GLU A 104 -0.642 -26.416 -0.612 1.00 0.00 C ATOM 1548 CG GLU A 104 -0.109 -26.882 0.732 1.00 0.00 C ATOM 1549 CD GLU A 104 -0.671 -28.227 1.148 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -1.912 -28.350 1.232 1.00 0.00 O ATOM 1551 OE2 GLU A 104 0.127 -29.156 1.391 1.00 0.00 O ATOM 0 H GLU A 104 -0.573 -23.485 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 104 1.294 -25.581 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.632 -25.982 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.764 -27.281 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.978 -26.946 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.353 -26.140 1.492 1.00 0.00 H new ATOM 1558 N SER A 105 1.169 -26.065 -3.450 1.00 0.00 N ATOM 1559 CA SER A 105 1.175 -26.248 -4.897 1.00 0.00 C ATOM 1560 C SER A 105 -0.068 -27.004 -5.354 1.00 0.00 C ATOM 1561 O SER A 105 -0.366 -28.090 -4.858 1.00 0.00 O ATOM 1562 CB SER A 105 2.434 -27.002 -5.331 1.00 0.00 C ATOM 1563 OG SER A 105 2.285 -28.398 -5.134 1.00 0.00 O ATOM 0 H SER A 105 2.018 -26.381 -2.981 1.00 0.00 H new ATOM 0 HA SER A 105 1.171 -25.263 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.639 -26.800 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.292 -26.641 -4.764 1.00 0.00 H new ATOM 0 HG SER A 105 1.411 -28.580 -4.731 1.00 0.00 H new ATOM 1569 N GLY A 106 -0.791 -26.421 -6.306 1.00 0.00 N ATOM 1570 CA GLY A 106 -1.995 -27.053 -6.815 1.00 0.00 C ATOM 1571 C GLY A 106 -2.012 -27.130 -8.329 1.00 0.00 C ATOM 1572 O GLY A 106 -1.540 -28.096 -8.928 1.00 0.00 O ATOM 0 H GLY A 106 -0.565 -25.523 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.077 -28.058 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.867 -26.496 -6.473 1.00 0.00 H new ATOM 1576 N PRO A 107 -2.571 -26.094 -8.971 1.00 0.00 N ATOM 1577 CA PRO A 107 -2.663 -26.025 -10.433 1.00 0.00 C ATOM 1578 C PRO A 107 -1.302 -25.827 -11.091 1.00 0.00 C ATOM 1579 O PRO A 107 -1.042 -26.354 -12.173 1.00 0.00 O ATOM 1580 CB PRO A 107 -3.557 -24.806 -10.675 1.00 0.00 C ATOM 1581 CG PRO A 107 -3.376 -23.957 -9.464 1.00 0.00 C ATOM 1582 CD PRO A 107 -3.154 -24.908 -8.321 1.00 0.00 C ATOM 0 HA PRO A 107 -3.053 -26.948 -10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.264 -24.273 -11.579 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.599 -25.098 -10.801 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.527 -23.284 -9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.254 -23.335 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.481 -24.488 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.087 -25.147 -7.811 1.00 0.00 H new ATOM 1590 N SER A 108 -0.436 -25.064 -10.431 1.00 0.00 N ATOM 1591 CA SER A 108 0.898 -24.794 -10.954 1.00 0.00 C ATOM 1592 C SER A 108 1.500 -26.047 -11.581 1.00 0.00 C ATOM 1593 O SER A 108 1.335 -27.153 -11.066 1.00 0.00 O ATOM 1594 CB SER A 108 1.811 -24.278 -9.840 1.00 0.00 C ATOM 1595 OG SER A 108 1.296 -23.088 -9.269 1.00 0.00 O ATOM 0 H SER A 108 -0.635 -24.622 -9.533 1.00 0.00 H new ATOM 0 HA SER A 108 0.811 -24.029 -11.726 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.914 -25.040 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.808 -24.092 -10.240 1.00 0.00 H new ATOM 0 HG SER A 108 1.897 -22.779 -8.559 1.00 0.00 H new ATOM 1601 N SER A 109 2.200 -25.866 -12.697 1.00 0.00 N ATOM 1602 CA SER A 109 2.824 -26.982 -13.397 1.00 0.00 C ATOM 1603 C SER A 109 4.345 -26.890 -13.319 1.00 0.00 C ATOM 1604 O SER A 109 4.967 -26.092 -14.019 1.00 0.00 O ATOM 1605 CB SER A 109 2.378 -27.007 -14.860 1.00 0.00 C ATOM 1606 OG SER A 109 3.122 -27.957 -15.604 1.00 0.00 O ATOM 0 H SER A 109 2.349 -24.957 -13.135 1.00 0.00 H new ATOM 0 HA SER A 109 2.508 -27.906 -12.912 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.316 -27.248 -14.916 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.504 -26.017 -15.299 1.00 0.00 H new ATOM 0 HG SER A 109 2.817 -27.955 -16.535 1.00 0.00 H new ATOM 1612 N GLY A 110 4.938 -27.714 -12.460 1.00 0.00 N ATOM 1613 CA GLY A 110 6.381 -27.710 -12.305 1.00 0.00 C ATOM 1614 C GLY A 110 7.007 -29.042 -12.669 1.00 0.00 C ATOM 1615 O GLY A 110 6.331 -29.933 -13.183 1.00 0.00 O ATOM 0 H GLY A 110 4.445 -28.384 -11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.809 -26.928 -12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.632 -27.464 -11.273 1.00 0.00 H new TER 1619 GLY A 110