USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 813 hydrogens (26 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 120 LYS NZ :NH3+ -162:sc= -0.761 (180deg=-1.46!) USER MOD Set 1.2: A 136 RAM O3 : rot 108:sc= 0.734 USER MOD Set 1.3: A 136 RAM O4 : rot -36:sc= -2.49! USER MOD Set 2.1: A 82 GLN : amide:sc= -2.18! C(o=-1.6!,f=-1.4!) USER MOD Set 2.2: A 84 TYR OH : rot -40:sc= 0.573 USER MOD Set 3.1: A 66 THR OG1 : rot -54:sc= -0.0346! USER MOD Set 3.2: A 121 TYR OH : rot 33:sc= 0.873! USER MOD Single : A 35 MET CE :methyl -128:sc= -0.376 (180deg=-1.52!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.226 (180deg=-1.5!) USER MOD Single : A 60 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.8!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.257 F(o=-1.8,f=-0.26) USER MOD Single : A 63 TYR OH : rot 150:sc= -4.3! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -9.4! C(o=-9.4!,f=-9.3!) USER MOD Single : A 78 MET CE :methyl -152:sc= -4.16! (180deg=-7.9!) USER MOD Single : A 80 ASN : amide:sc= 0.0497 K(o=0.05,f=-0.82) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -178:sc= -0.167 (180deg=-0.177) USER MOD Single : A 93 SER OG : rot 64:sc= 0.664 USER MOD Single : A 94 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 97 ASN : amide:sc= -7.61! C(o=-7.6!,f=-16!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.331 F(o=-0.83,f=-0.33) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.6!) USER MOD Single : A 126 TYR OH : rot 30:sc= 0.202 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -171:sc= -0.273 (180deg=-0.816) USER MOD Single : A 135 NAG O3 : rot 23:sc= 0.217 USER MOD Single : A 135 NAG O4 : rot 160:sc= 0 USER MOD Single : A 135 NAG O6 : rot 180:sc= -0.175 USER MOD Single : A 136 RAM O1 : rot 180:sc= -0.0174 USER MOD Single : A 136 RAM O2 : rot 100:sc= -0.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 12.276 -16.854 6.563 1.00 0.00 N ATOM 2 CA GLY A 29 11.695 -15.812 5.669 1.00 0.00 C ATOM 3 C GLY A 29 12.108 -16.084 4.226 1.00 0.00 C ATOM 4 O GLY A 29 11.515 -16.923 3.549 1.00 0.00 O ATOM 0 HA2 GLY A 29 10.608 -15.812 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.038 -14.824 5.975 1.00 0.00 H new ATOM 10 N LEU A 30 13.125 -15.366 3.761 1.00 0.00 N ATOM 11 CA LEU A 30 13.605 -15.534 2.393 1.00 0.00 C ATOM 12 C LEU A 30 12.456 -15.349 1.410 1.00 0.00 C ATOM 13 O LEU A 30 12.114 -16.257 0.653 1.00 0.00 O ATOM 14 CB LEU A 30 14.221 -16.922 2.215 1.00 0.00 C ATOM 15 CG LEU A 30 15.712 -16.871 2.554 1.00 0.00 C ATOM 16 CD1 LEU A 30 15.891 -16.586 4.047 1.00 0.00 C ATOM 17 CD2 LEU A 30 16.348 -18.219 2.215 1.00 0.00 C ATOM 0 H LEU A 30 13.630 -14.667 4.306 1.00 0.00 H new ATOM 0 HA LEU A 30 14.368 -14.781 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.716 -17.640 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.083 -17.263 1.189 1.00 0.00 H new ATOM 0 HG LEU A 30 16.191 -16.080 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.954 -16.550 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.432 -15.628 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.415 -17.376 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.411 -18.190 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.866 -19.005 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.221 -18.424 1.152 1.00 0.00 H new ATOM 29 N PRO A 31 11.867 -14.184 1.425 1.00 0.00 N ATOM 30 CA PRO A 31 10.728 -13.820 0.532 1.00 0.00 C ATOM 31 C PRO A 31 10.886 -14.384 -0.880 1.00 0.00 C ATOM 32 O PRO A 31 10.955 -15.596 -1.074 1.00 0.00 O ATOM 33 CB PRO A 31 10.789 -12.291 0.519 1.00 0.00 C ATOM 34 CG PRO A 31 11.361 -11.907 1.845 1.00 0.00 C ATOM 35 CD PRO A 31 12.234 -13.074 2.315 1.00 0.00 C ATOM 0 HA PRO A 31 9.778 -14.225 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.413 -11.929 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.798 -11.859 0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.951 -10.995 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.566 -11.707 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.294 -12.835 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.040 -13.320 3.359 1.00 0.00 H new ATOM 43 N PHE A 32 10.950 -13.493 -1.863 1.00 0.00 N ATOM 44 CA PHE A 32 11.115 -13.912 -3.246 1.00 0.00 C ATOM 45 C PHE A 32 12.571 -14.295 -3.478 1.00 0.00 C ATOM 46 O PHE A 32 12.940 -14.799 -4.539 1.00 0.00 O ATOM 47 CB PHE A 32 10.732 -12.764 -4.184 1.00 0.00 C ATOM 48 CG PHE A 32 9.557 -13.165 -5.044 1.00 0.00 C ATOM 49 CD1 PHE A 32 9.726 -14.107 -6.065 1.00 0.00 C ATOM 50 CD2 PHE A 32 8.300 -12.591 -4.820 1.00 0.00 C ATOM 51 CE1 PHE A 32 8.637 -14.474 -6.865 1.00 0.00 C ATOM 52 CE2 PHE A 32 7.213 -12.958 -5.617 1.00 0.00 C ATOM 53 CZ PHE A 32 7.380 -13.898 -6.640 1.00 0.00 C ATOM 0 H PHE A 32 10.890 -12.484 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 32 10.471 -14.768 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.481 -11.877 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.581 -12.501 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.696 -14.551 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.171 -11.865 -4.031 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.766 -15.200 -7.654 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.243 -12.516 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.539 -14.180 -7.257 1.00 0.00 H new ATOM 63 N GLY A 33 13.392 -14.044 -2.462 1.00 0.00 N ATOM 64 CA GLY A 33 14.809 -14.356 -2.534 1.00 0.00 C ATOM 65 C GLY A 33 15.519 -13.457 -3.538 1.00 0.00 C ATOM 66 O GLY A 33 16.707 -13.168 -3.391 1.00 0.00 O ATOM 0 H GLY A 33 13.096 -13.625 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.261 -14.235 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.941 -15.400 -2.819 1.00 0.00 H new ATOM 70 N LEU A 34 14.795 -13.020 -4.563 1.00 0.00 N ATOM 71 CA LEU A 34 15.389 -12.160 -5.575 1.00 0.00 C ATOM 72 C LEU A 34 14.315 -11.442 -6.381 1.00 0.00 C ATOM 73 O LEU A 34 13.604 -12.060 -7.172 1.00 0.00 O ATOM 74 CB LEU A 34 16.259 -13.005 -6.509 1.00 0.00 C ATOM 75 CG LEU A 34 17.094 -12.097 -7.415 1.00 0.00 C ATOM 76 CD1 LEU A 34 18.222 -11.454 -6.604 1.00 0.00 C ATOM 77 CD2 LEU A 34 17.700 -12.935 -8.542 1.00 0.00 C ATOM 0 H LEU A 34 13.811 -13.244 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 34 16.000 -11.407 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.915 -13.650 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.629 -13.656 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 34 16.458 -11.316 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.814 -10.808 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.796 -10.862 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.860 -12.233 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.296 -12.294 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.335 -13.712 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.901 -13.397 -9.122 1.00 0.00 H new ATOM 89 N MET A 35 14.213 -10.132 -6.186 1.00 0.00 N ATOM 90 CA MET A 35 13.231 -9.341 -6.919 1.00 0.00 C ATOM 91 C MET A 35 11.815 -9.840 -6.675 1.00 0.00 C ATOM 92 O MET A 35 11.585 -11.026 -6.445 1.00 0.00 O ATOM 93 CB MET A 35 13.524 -9.423 -8.413 1.00 0.00 C ATOM 94 CG MET A 35 14.761 -8.586 -8.742 1.00 0.00 C ATOM 95 SD MET A 35 15.378 -9.026 -10.386 1.00 0.00 S ATOM 96 CE MET A 35 14.107 -8.186 -11.365 1.00 0.00 C ATOM 0 H MET A 35 14.791 -9.600 -5.535 1.00 0.00 H new ATOM 0 HA MET A 35 13.304 -8.312 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.687 -10.460 -8.705 1.00 0.00 H new ATOM 0 HB3 MET A 35 12.667 -9.062 -8.982 1.00 0.00 H new ATOM 0 HG2 MET A 35 14.513 -7.525 -8.708 1.00 0.00 H new ATOM 0 HG3 MET A 35 15.536 -8.756 -7.995 1.00 0.00 H new ATOM 0 HE1 MET A 35 13.680 -8.885 -12.084 1.00 0.00 H new ATOM 0 HE2 MET A 35 13.321 -7.820 -10.704 1.00 0.00 H new ATOM 0 HE3 MET A 35 14.554 -7.346 -11.898 1.00 0.00 H new ATOM 106 N ARG A 36 10.865 -8.920 -6.766 1.00 0.00 N ATOM 107 CA ARG A 36 9.468 -9.261 -6.594 1.00 0.00 C ATOM 108 C ARG A 36 8.877 -9.625 -7.938 1.00 0.00 C ATOM 109 O ARG A 36 9.204 -9.007 -8.951 1.00 0.00 O ATOM 110 CB ARG A 36 8.706 -8.074 -6.018 1.00 0.00 C ATOM 111 CG ARG A 36 9.176 -7.813 -4.593 1.00 0.00 C ATOM 112 CD ARG A 36 8.561 -6.509 -4.099 1.00 0.00 C ATOM 113 NE ARG A 36 7.118 -6.658 -3.935 1.00 0.00 N ATOM 114 CZ ARG A 36 6.614 -7.349 -2.920 1.00 0.00 C ATOM 115 NH1 ARG A 36 7.416 -7.908 -2.056 1.00 0.00 N ATOM 116 NH2 ARG A 36 5.322 -7.478 -2.791 1.00 0.00 N ATOM 0 H ARG A 36 11.040 -7.934 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 36 9.388 -10.104 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.869 -7.190 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.635 -8.276 -6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.883 -8.637 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.264 -7.752 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.014 -6.222 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.772 -5.708 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 36 6.488 -6.225 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.426 -7.813 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.033 -8.440 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.696 -7.047 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.938 -8.010 -2.010 1.00 0.00 H new ATOM 130 N ARG A 37 7.995 -10.604 -7.955 1.00 0.00 N ATOM 131 CA ARG A 37 7.370 -10.992 -9.199 1.00 0.00 C ATOM 132 C ARG A 37 5.952 -11.465 -8.968 1.00 0.00 C ATOM 133 O ARG A 37 5.683 -12.292 -8.097 1.00 0.00 O ATOM 134 CB ARG A 37 8.148 -12.104 -9.897 1.00 0.00 C ATOM 135 CG ARG A 37 7.468 -12.409 -11.232 1.00 0.00 C ATOM 136 CD ARG A 37 8.149 -13.601 -11.896 1.00 0.00 C ATOM 137 NE ARG A 37 9.429 -13.211 -12.469 1.00 0.00 N ATOM 138 CZ ARG A 37 10.240 -14.122 -12.992 1.00 0.00 C ATOM 139 NH1 ARG A 37 9.887 -15.379 -12.985 1.00 0.00 N ATOM 140 NH2 ARG A 37 11.382 -13.764 -13.511 1.00 0.00 N ATOM 0 H ARG A 37 7.700 -11.136 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 37 7.365 -10.107 -9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.182 -11.798 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.174 -12.997 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.412 -12.624 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.520 -11.538 -11.885 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.300 -14.394 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.504 -14.006 -12.676 1.00 0.00 H new ATOM 0 HE ARG A 37 9.705 -12.229 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.993 -15.655 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.505 -16.085 -13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.654 -12.781 -13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.003 -14.467 -13.912 1.00 0.00 H new ATOM 154 N GLU A 38 5.062 -10.952 -9.783 1.00 0.00 N ATOM 155 CA GLU A 38 3.670 -11.335 -9.708 1.00 0.00 C ATOM 156 C GLU A 38 3.211 -11.751 -11.088 1.00 0.00 C ATOM 157 O GLU A 38 3.632 -11.180 -12.097 1.00 0.00 O ATOM 158 CB GLU A 38 2.816 -10.182 -9.178 1.00 0.00 C ATOM 159 CG GLU A 38 3.264 -9.833 -7.756 1.00 0.00 C ATOM 160 CD GLU A 38 3.313 -11.090 -6.893 1.00 0.00 C ATOM 161 OE1 GLU A 38 2.346 -11.833 -6.905 1.00 0.00 O ATOM 162 OE2 GLU A 38 4.318 -11.290 -6.229 1.00 0.00 O ATOM 0 H GLU A 38 5.276 -10.267 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 38 3.557 -12.169 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.916 -9.312 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.763 -10.463 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.247 -9.363 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.576 -9.109 -7.318 1.00 0.00 H new ATOM 169 N LEU A 39 2.364 -12.759 -11.130 1.00 0.00 N ATOM 170 CA LEU A 39 1.871 -13.263 -12.397 1.00 0.00 C ATOM 171 C LEU A 39 0.387 -13.584 -12.282 1.00 0.00 C ATOM 172 O LEU A 39 -0.056 -14.148 -11.281 1.00 0.00 O ATOM 173 CB LEU A 39 2.657 -14.524 -12.779 1.00 0.00 C ATOM 174 CG LEU A 39 2.444 -14.876 -14.257 1.00 0.00 C ATOM 175 CD1 LEU A 39 3.584 -15.784 -14.723 1.00 0.00 C ATOM 176 CD2 LEU A 39 1.112 -15.612 -14.447 1.00 0.00 C ATOM 0 H LEU A 39 2.004 -13.243 -10.308 1.00 0.00 H new ATOM 0 HA LEU A 39 2.006 -12.507 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.719 -14.367 -12.588 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.340 -15.358 -12.153 1.00 0.00 H new ATOM 0 HG LEU A 39 2.427 -13.955 -14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.440 -16.039 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.535 -15.265 -14.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.590 -16.696 -14.126 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.977 -15.854 -15.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.118 -16.531 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.293 -14.974 -14.114 1.00 0.00 H new ATOM 188 N ALA A 40 -0.381 -13.231 -13.298 1.00 0.00 N ATOM 189 CA ALA A 40 -1.808 -13.502 -13.271 1.00 0.00 C ATOM 190 C ALA A 40 -2.292 -13.894 -14.657 1.00 0.00 C ATOM 191 O ALA A 40 -1.823 -13.361 -15.663 1.00 0.00 O ATOM 192 CB ALA A 40 -2.565 -12.264 -12.789 1.00 0.00 C ATOM 0 H ALA A 40 -0.047 -12.763 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.996 -14.327 -12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.634 -12.475 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.231 -12.001 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.371 -11.432 -13.466 1.00 0.00 H new ATOM 198 N CYS A 41 -3.225 -14.832 -14.708 1.00 0.00 N ATOM 199 CA CYS A 41 -3.749 -15.287 -15.984 1.00 0.00 C ATOM 200 C CYS A 41 -4.549 -14.176 -16.641 1.00 0.00 C ATOM 201 O CYS A 41 -5.283 -13.449 -15.974 1.00 0.00 O ATOM 202 CB CYS A 41 -4.626 -16.518 -15.772 1.00 0.00 C ATOM 203 SG CYS A 41 -3.711 -17.705 -14.766 1.00 0.00 S ATOM 0 H CYS A 41 -3.630 -15.288 -13.891 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.920 -15.554 -16.639 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.557 -16.240 -15.277 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.895 -16.961 -16.731 1.00 0.00 H new ATOM 208 N GLU A 42 -4.368 -14.021 -17.946 1.00 0.00 N ATOM 209 CA GLU A 42 -5.050 -12.959 -18.666 1.00 0.00 C ATOM 210 C GLU A 42 -6.506 -12.816 -18.251 1.00 0.00 C ATOM 211 O GLU A 42 -7.224 -13.801 -18.090 1.00 0.00 O ATOM 212 CB GLU A 42 -4.982 -13.193 -20.181 1.00 0.00 C ATOM 213 CG GLU A 42 -6.193 -12.528 -20.853 1.00 0.00 C ATOM 214 CD GLU A 42 -6.055 -12.572 -22.368 1.00 0.00 C ATOM 215 OE1 GLU A 42 -5.411 -13.485 -22.855 1.00 0.00 O ATOM 216 OE2 GLU A 42 -6.602 -11.696 -23.020 1.00 0.00 O ATOM 0 H GLU A 42 -3.763 -14.609 -18.519 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.531 -12.035 -18.410 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.057 -12.780 -20.583 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.974 -14.262 -20.395 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.108 -13.037 -20.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.278 -11.494 -20.520 1.00 0.00 H new ATOM 223 N GLY A 43 -6.936 -11.564 -18.133 1.00 0.00 N ATOM 224 CA GLY A 43 -8.314 -11.254 -17.798 1.00 0.00 C ATOM 225 C GLY A 43 -8.570 -11.139 -16.301 1.00 0.00 C ATOM 226 O GLY A 43 -9.675 -10.776 -15.899 1.00 0.00 O ATOM 0 H GLY A 43 -6.342 -10.745 -18.266 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.593 -10.316 -18.278 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.962 -12.028 -18.210 1.00 0.00 H new ATOM 230 N TYR A 44 -7.581 -11.434 -15.464 1.00 0.00 N ATOM 231 CA TYR A 44 -7.783 -11.338 -14.028 1.00 0.00 C ATOM 232 C TYR A 44 -6.882 -10.252 -13.459 1.00 0.00 C ATOM 233 O TYR A 44 -5.830 -9.949 -14.023 1.00 0.00 O ATOM 234 CB TYR A 44 -7.473 -12.687 -13.362 1.00 0.00 C ATOM 235 CG TYR A 44 -8.593 -13.662 -13.654 1.00 0.00 C ATOM 236 CD1 TYR A 44 -9.704 -13.736 -12.801 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.522 -14.490 -14.779 1.00 0.00 C ATOM 238 CE1 TYR A 44 -10.743 -14.636 -13.076 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.559 -15.391 -15.053 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.670 -15.464 -14.202 1.00 0.00 C ATOM 241 OH TYR A 44 -11.691 -16.350 -14.477 1.00 0.00 O ATOM 0 H TYR A 44 -6.650 -11.736 -15.750 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.823 -11.081 -13.827 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.527 -13.080 -13.735 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.361 -12.556 -12.286 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.759 -13.099 -11.931 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.667 -14.435 -15.437 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.599 -14.690 -12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.502 -16.030 -15.922 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.481 -16.847 -15.295 1.00 0.00 H new ATOM 251 N PRO A 45 -7.274 -9.655 -12.373 1.00 0.00 N ATOM 252 CA PRO A 45 -6.488 -8.567 -11.730 1.00 0.00 C ATOM 253 C PRO A 45 -5.219 -9.060 -11.041 1.00 0.00 C ATOM 254 O PRO A 45 -5.200 -10.123 -10.422 1.00 0.00 O ATOM 255 CB PRO A 45 -7.464 -7.964 -10.720 1.00 0.00 C ATOM 256 CG PRO A 45 -8.439 -9.049 -10.404 1.00 0.00 C ATOM 257 CD PRO A 45 -8.513 -9.950 -11.635 1.00 0.00 C ATOM 0 HA PRO A 45 -6.125 -7.852 -12.468 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.943 -7.632 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.969 -7.092 -11.136 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.117 -9.615 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.419 -8.632 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.569 -11.002 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.396 -9.732 -12.236 1.00 0.00 H new ATOM 265 N ILE A 46 -4.175 -8.244 -11.125 1.00 0.00 N ATOM 266 CA ILE A 46 -2.902 -8.556 -10.485 1.00 0.00 C ATOM 267 C ILE A 46 -2.632 -7.486 -9.440 1.00 0.00 C ATOM 268 O ILE A 46 -2.988 -6.323 -9.631 1.00 0.00 O ATOM 269 CB ILE A 46 -1.765 -8.578 -11.513 1.00 0.00 C ATOM 270 CG1 ILE A 46 -0.483 -9.102 -10.859 1.00 0.00 C ATOM 271 CG2 ILE A 46 -1.516 -7.159 -12.021 1.00 0.00 C ATOM 272 CD1 ILE A 46 0.617 -9.211 -11.919 1.00 0.00 C ATOM 0 H ILE A 46 -4.185 -7.359 -11.631 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.953 -9.543 -10.024 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.045 -9.229 -12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.168 -8.431 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.664 -10.076 -10.405 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.708 -7.171 -12.752 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.423 -6.776 -12.489 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.239 -6.517 -11.185 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.531 -9.584 -11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.300 -9.899 -12.703 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.804 -8.228 -12.352 1.00 0.00 H new ATOM 284 N GLU A 47 -2.044 -7.876 -8.321 1.00 0.00 N ATOM 285 CA GLU A 47 -1.793 -6.920 -7.258 1.00 0.00 C ATOM 286 C GLU A 47 -0.331 -6.916 -6.839 1.00 0.00 C ATOM 287 O GLU A 47 0.247 -7.954 -6.516 1.00 0.00 O ATOM 288 CB GLU A 47 -2.694 -7.249 -6.068 1.00 0.00 C ATOM 289 CG GLU A 47 -2.542 -6.186 -4.986 1.00 0.00 C ATOM 290 CD GLU A 47 -3.492 -6.493 -3.835 1.00 0.00 C ATOM 291 OE1 GLU A 47 -4.164 -7.511 -3.902 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.541 -5.701 -2.908 1.00 0.00 O ATOM 0 H GLU A 47 -1.737 -8.829 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.021 -5.920 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.733 -7.303 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.435 -8.228 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.513 -6.163 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.758 -5.200 -5.397 1.00 0.00 H new ATOM 299 N LEU A 48 0.251 -5.722 -6.826 1.00 0.00 N ATOM 300 CA LEU A 48 1.636 -5.551 -6.428 1.00 0.00 C ATOM 301 C LEU A 48 1.680 -4.758 -5.139 1.00 0.00 C ATOM 302 O LEU A 48 0.906 -3.817 -4.967 1.00 0.00 O ATOM 303 CB LEU A 48 2.391 -4.799 -7.520 1.00 0.00 C ATOM 304 CG LEU A 48 2.093 -5.461 -8.857 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.620 -4.587 -9.996 1.00 0.00 C ATOM 306 CD2 LEU A 48 2.774 -6.829 -8.908 1.00 0.00 C ATOM 0 H LEU A 48 -0.221 -4.857 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 48 2.102 -6.525 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.086 -3.753 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.462 -4.815 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 48 1.015 -5.583 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.404 -5.065 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.135 -3.612 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.697 -4.460 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.562 -7.306 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.851 -6.704 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.395 -7.454 -8.100 1.00 0.00 H new ATOM 318 N ARG A 49 2.569 -5.120 -4.236 1.00 0.00 N ATOM 319 CA ARG A 49 2.661 -4.401 -2.979 1.00 0.00 C ATOM 320 C ARG A 49 4.103 -4.322 -2.506 1.00 0.00 C ATOM 321 O ARG A 49 4.805 -5.330 -2.448 1.00 0.00 O ATOM 322 CB ARG A 49 1.840 -5.108 -1.900 1.00 0.00 C ATOM 323 CG ARG A 49 0.346 -5.053 -2.221 1.00 0.00 C ATOM 324 CD ARG A 49 -0.406 -5.761 -1.095 1.00 0.00 C ATOM 325 NE ARG A 49 -1.810 -5.958 -1.438 1.00 0.00 N ATOM 326 CZ ARG A 49 -2.569 -6.778 -0.712 1.00 0.00 C ATOM 327 NH1 ARG A 49 -2.047 -7.412 0.303 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.828 -6.958 -1.011 1.00 0.00 N ATOM 0 H ARG A 49 3.227 -5.892 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 49 2.274 -3.396 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.159 -6.147 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.025 -4.640 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.013 -4.019 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.144 -5.536 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.060 -6.725 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.332 -5.174 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.212 -5.466 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.063 -7.278 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.623 -8.041 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.238 -6.469 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.401 -7.588 -0.449 1.00 0.00 H new ATOM 342 N CYS A 50 4.530 -3.124 -2.138 1.00 0.00 N ATOM 343 CA CYS A 50 5.879 -2.935 -1.633 1.00 0.00 C ATOM 344 C CYS A 50 5.826 -2.852 -0.112 1.00 0.00 C ATOM 345 O CYS A 50 4.851 -2.356 0.450 1.00 0.00 O ATOM 346 CB CYS A 50 6.495 -1.655 -2.209 1.00 0.00 C ATOM 347 SG CYS A 50 7.260 -2.012 -3.812 1.00 0.00 S ATOM 0 H CYS A 50 3.966 -2.275 -2.179 1.00 0.00 H new ATOM 0 HA CYS A 50 6.501 -3.777 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.727 -0.890 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.240 -1.257 -1.520 1.00 0.00 H new ATOM 352 N PRO A 51 6.831 -3.331 0.562 1.00 0.00 N ATOM 353 CA PRO A 51 6.873 -3.313 2.050 1.00 0.00 C ATOM 354 C PRO A 51 7.196 -1.930 2.606 1.00 0.00 C ATOM 355 O PRO A 51 7.812 -1.104 1.931 1.00 0.00 O ATOM 356 CB PRO A 51 7.973 -4.318 2.380 1.00 0.00 C ATOM 357 CG PRO A 51 8.894 -4.300 1.206 1.00 0.00 C ATOM 358 CD PRO A 51 8.042 -3.941 -0.015 1.00 0.00 C ATOM 0 HA PRO A 51 5.911 -3.564 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.497 -4.040 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.560 -5.314 2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.691 -3.570 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.371 -5.271 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.563 -3.247 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.801 -4.824 -0.607 1.00 0.00 H new ATOM 366 N GLY A 52 6.810 -1.693 3.853 1.00 0.00 N ATOM 367 CA GLY A 52 7.095 -0.422 4.500 1.00 0.00 C ATOM 368 C GLY A 52 6.579 0.762 3.693 1.00 0.00 C ATOM 369 O GLY A 52 5.447 0.765 3.209 1.00 0.00 O ATOM 0 H GLY A 52 6.302 -2.361 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.640 -0.410 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.171 -0.322 4.642 1.00 0.00 H new ATOM 373 N SER A 53 7.435 1.762 3.559 1.00 0.00 N ATOM 374 CA SER A 53 7.096 2.963 2.808 1.00 0.00 C ATOM 375 C SER A 53 7.845 2.982 1.488 1.00 0.00 C ATOM 376 O SER A 53 8.078 4.043 0.908 1.00 0.00 O ATOM 377 CB SER A 53 7.426 4.209 3.627 1.00 0.00 C ATOM 378 OG SER A 53 8.837 4.372 3.700 1.00 0.00 O ATOM 0 H SER A 53 8.372 1.767 3.961 1.00 0.00 H new ATOM 0 HA SER A 53 6.026 2.959 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.971 5.088 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.008 4.119 4.630 1.00 0.00 H new ATOM 0 HG SER A 53 9.047 5.173 4.224 1.00 0.00 H new ATOM 384 N ASP A 54 8.206 1.796 1.013 1.00 0.00 N ATOM 385 CA ASP A 54 8.911 1.667 -0.248 1.00 0.00 C ATOM 386 C ASP A 54 7.930 1.798 -1.408 1.00 0.00 C ATOM 387 O ASP A 54 6.715 1.731 -1.217 1.00 0.00 O ATOM 388 CB ASP A 54 9.610 0.312 -0.314 1.00 0.00 C ATOM 389 CG ASP A 54 10.593 0.171 0.843 1.00 0.00 C ATOM 390 OD1 ASP A 54 11.013 1.190 1.365 1.00 0.00 O ATOM 391 OD2 ASP A 54 10.913 -0.953 1.189 1.00 0.00 O ATOM 0 H ASP A 54 8.020 0.911 1.486 1.00 0.00 H new ATOM 0 HA ASP A 54 9.657 2.459 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.872 -0.489 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.137 0.212 -1.263 1.00 0.00 H new ATOM 396 N VAL A 55 8.458 1.988 -2.609 1.00 0.00 N ATOM 397 CA VAL A 55 7.614 2.132 -3.790 1.00 0.00 C ATOM 398 C VAL A 55 8.002 1.102 -4.855 1.00 0.00 C ATOM 399 O VAL A 55 9.175 0.754 -4.996 1.00 0.00 O ATOM 400 CB VAL A 55 7.789 3.540 -4.356 1.00 0.00 C ATOM 401 CG1 VAL A 55 7.389 4.577 -3.303 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.257 3.749 -4.732 1.00 0.00 C ATOM 0 H VAL A 55 9.460 2.046 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 55 6.574 1.967 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 55 7.157 3.657 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.516 5.579 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.346 4.429 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.020 4.463 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.390 4.752 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.880 3.630 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.549 3.014 -5.482 1.00 0.00 H new ATOM 412 N ILE A 56 7.009 0.621 -5.602 1.00 0.00 N ATOM 413 CA ILE A 56 7.262 -0.368 -6.651 1.00 0.00 C ATOM 414 C ILE A 56 8.050 0.252 -7.807 1.00 0.00 C ATOM 415 O ILE A 56 7.731 1.345 -8.275 1.00 0.00 O ATOM 416 CB ILE A 56 5.931 -0.927 -7.183 1.00 0.00 C ATOM 417 CG1 ILE A 56 5.146 -1.586 -6.042 1.00 0.00 C ATOM 418 CG2 ILE A 56 6.205 -1.968 -8.273 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.774 -2.031 -6.556 1.00 0.00 C ATOM 0 H ILE A 56 6.032 0.896 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 56 7.851 -1.176 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 56 5.346 -0.107 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.697 -2.443 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.027 -0.885 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.259 -2.361 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.753 -1.502 -9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.798 -2.783 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.216 -2.499 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.224 -1.164 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.904 -2.747 -7.368 1.00 0.00 H new ATOM 431 N MET A 57 9.059 -0.472 -8.289 1.00 0.00 N ATOM 432 CA MET A 57 9.857 -0.002 -9.417 1.00 0.00 C ATOM 433 C MET A 57 9.948 -1.112 -10.457 1.00 0.00 C ATOM 434 O MET A 57 10.710 -2.067 -10.314 1.00 0.00 O ATOM 435 CB MET A 57 11.256 0.441 -8.963 1.00 0.00 C ATOM 436 CG MET A 57 12.178 -0.769 -8.813 1.00 0.00 C ATOM 437 SD MET A 57 13.552 -0.334 -7.719 1.00 0.00 S ATOM 438 CE MET A 57 13.996 1.233 -8.511 1.00 0.00 C ATOM 0 H MET A 57 9.341 -1.380 -7.918 1.00 0.00 H new ATOM 0 HA MET A 57 9.373 0.869 -9.858 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.676 1.138 -9.688 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.186 0.972 -8.014 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.625 -1.615 -8.404 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.556 -1.077 -9.788 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.016 1.502 -8.238 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.926 1.126 -9.593 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.313 2.015 -8.179 1.00 0.00 H new ATOM 448 N VAL A 58 9.120 -0.986 -11.482 1.00 0.00 N ATOM 449 CA VAL A 58 9.050 -1.988 -12.539 1.00 0.00 C ATOM 450 C VAL A 58 10.348 -2.083 -13.339 1.00 0.00 C ATOM 451 O VAL A 58 10.822 -1.094 -13.897 1.00 0.00 O ATOM 452 CB VAL A 58 7.878 -1.667 -13.467 1.00 0.00 C ATOM 453 CG1 VAL A 58 7.752 -2.755 -14.536 1.00 0.00 C ATOM 454 CG2 VAL A 58 6.587 -1.621 -12.640 1.00 0.00 C ATOM 0 H VAL A 58 8.484 -0.198 -11.606 1.00 0.00 H new ATOM 0 HA VAL A 58 8.898 -2.959 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 58 8.048 -0.705 -13.950 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.916 -2.522 -15.195 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.672 -2.800 -15.119 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.579 -3.718 -14.056 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.745 -1.393 -13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.425 -2.588 -12.164 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.672 -0.850 -11.875 1.00 0.00 H new ATOM 464 N GLU A 59 10.907 -3.295 -13.402 1.00 0.00 N ATOM 465 CA GLU A 59 12.139 -3.524 -14.152 1.00 0.00 C ATOM 466 C GLU A 59 11.792 -4.138 -15.505 1.00 0.00 C ATOM 467 O GLU A 59 12.226 -3.648 -16.548 1.00 0.00 O ATOM 468 CB GLU A 59 13.072 -4.462 -13.378 1.00 0.00 C ATOM 469 CG GLU A 59 13.370 -3.881 -11.991 1.00 0.00 C ATOM 470 CD GLU A 59 14.169 -2.588 -12.110 1.00 0.00 C ATOM 471 OE1 GLU A 59 14.711 -2.344 -13.173 1.00 0.00 O ATOM 472 OE2 GLU A 59 14.226 -1.860 -11.132 1.00 0.00 O ATOM 0 H GLU A 59 10.528 -4.125 -12.946 1.00 0.00 H new ATOM 0 HA GLU A 59 12.652 -2.573 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.611 -5.445 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.001 -4.600 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.436 -3.690 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.928 -4.606 -11.399 1.00 0.00 H new ATOM 479 N ASN A 60 10.996 -5.209 -15.479 1.00 0.00 N ATOM 480 CA ASN A 60 10.588 -5.873 -16.709 1.00 0.00 C ATOM 481 C ASN A 60 9.213 -6.507 -16.528 1.00 0.00 C ATOM 482 O ASN A 60 8.858 -6.950 -15.436 1.00 0.00 O ATOM 483 CB ASN A 60 11.607 -6.952 -17.096 1.00 0.00 C ATOM 484 CG ASN A 60 13.018 -6.374 -17.072 1.00 0.00 C ATOM 485 OD1 ASN A 60 13.344 -5.490 -17.862 1.00 0.00 O ATOM 486 ND2 ASN A 60 13.880 -6.821 -16.202 1.00 0.00 N ATOM 0 H ASN A 60 10.626 -5.629 -14.626 1.00 0.00 H new ATOM 0 HA ASN A 60 10.540 -5.130 -17.505 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.538 -7.792 -16.405 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.380 -7.337 -18.090 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.825 -6.437 -16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.610 -7.554 -15.547 1.00 0.00 H new ATOM 493 N ALA A 61 8.443 -6.542 -17.610 1.00 0.00 N ATOM 494 CA ALA A 61 7.105 -7.115 -17.569 1.00 0.00 C ATOM 495 C ALA A 61 6.623 -7.401 -18.980 1.00 0.00 C ATOM 496 O ALA A 61 7.039 -6.735 -19.929 1.00 0.00 O ATOM 497 CB ALA A 61 6.136 -6.143 -16.896 1.00 0.00 C ATOM 0 H ALA A 61 8.722 -6.182 -18.522 1.00 0.00 H new ATOM 0 HA ALA A 61 7.141 -8.043 -16.998 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.139 -6.582 -16.871 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.470 -5.943 -15.878 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.107 -5.210 -17.458 1.00 0.00 H new ATOM 503 N ASN A 62 5.759 -8.397 -19.128 1.00 0.00 N ATOM 504 CA ASN A 62 5.269 -8.734 -20.449 1.00 0.00 C ATOM 505 C ASN A 62 3.879 -9.364 -20.384 1.00 0.00 C ATOM 506 O ASN A 62 3.542 -10.068 -19.429 1.00 0.00 O ATOM 507 CB ASN A 62 6.234 -9.714 -21.109 1.00 0.00 C ATOM 508 CG ASN A 62 6.085 -9.655 -22.621 1.00 0.00 C ATOM 509 OD1 ASN A 62 5.309 -10.507 -23.225 1.00 0.00 O flip ATOM 510 ND2 ASN A 62 6.686 -8.799 -23.270 1.00 0.00 N flip ATOM 0 H ASN A 62 5.393 -8.970 -18.368 1.00 0.00 H new ATOM 0 HA ASN A 62 5.201 -7.815 -21.032 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.259 -9.473 -20.827 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.036 -10.726 -20.755 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.294 -8.132 -22.795 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.576 -8.757 -24.283 1.00 0.00 H new ATOM 517 N TYR A 63 3.094 -9.125 -21.425 1.00 0.00 N ATOM 518 CA TYR A 63 1.759 -9.682 -21.527 1.00 0.00 C ATOM 519 C TYR A 63 1.714 -10.586 -22.754 1.00 0.00 C ATOM 520 O TYR A 63 2.055 -10.152 -23.853 1.00 0.00 O ATOM 521 CB TYR A 63 0.748 -8.547 -21.668 1.00 0.00 C ATOM 522 CG TYR A 63 -0.605 -9.108 -22.016 1.00 0.00 C ATOM 523 CD1 TYR A 63 -1.462 -9.553 -21.007 1.00 0.00 C ATOM 524 CD2 TYR A 63 -1.001 -9.181 -23.355 1.00 0.00 C ATOM 525 CE1 TYR A 63 -2.716 -10.069 -21.339 1.00 0.00 C ATOM 526 CE2 TYR A 63 -2.257 -9.701 -23.685 1.00 0.00 C ATOM 527 CZ TYR A 63 -3.114 -10.143 -22.675 1.00 0.00 C ATOM 528 OH TYR A 63 -4.356 -10.648 -22.994 1.00 0.00 O ATOM 0 H TYR A 63 3.366 -8.542 -22.217 1.00 0.00 H new ATOM 0 HA TYR A 63 1.512 -10.259 -20.636 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.689 -7.983 -20.737 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.074 -7.852 -22.442 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.155 -9.498 -19.973 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.337 -8.836 -24.134 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.380 -10.412 -20.560 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.563 -9.761 -24.719 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.680 -10.224 -23.816 1.00 0.00 H new ATOM 538 N GLY A 64 1.346 -11.849 -22.570 1.00 0.00 N ATOM 539 CA GLY A 64 1.332 -12.777 -23.689 1.00 0.00 C ATOM 540 C GLY A 64 1.397 -14.213 -23.186 1.00 0.00 C ATOM 541 O GLY A 64 0.758 -14.572 -22.196 1.00 0.00 O ATOM 0 H GLY A 64 1.059 -12.246 -21.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.427 -12.632 -24.279 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.177 -12.576 -24.347 1.00 0.00 H new ATOM 545 N ARG A 65 2.173 -15.031 -23.887 1.00 0.00 N ATOM 546 CA ARG A 65 2.314 -16.434 -23.515 1.00 0.00 C ATOM 547 C ARG A 65 3.612 -17.028 -24.054 1.00 0.00 C ATOM 548 O ARG A 65 3.812 -17.122 -25.265 1.00 0.00 O ATOM 549 CB ARG A 65 1.133 -17.246 -24.042 1.00 0.00 C ATOM 550 CG ARG A 65 1.507 -18.726 -24.050 1.00 0.00 C ATOM 551 CD ARG A 65 0.248 -19.576 -23.879 1.00 0.00 C ATOM 552 NE ARG A 65 0.150 -20.063 -22.510 1.00 0.00 N ATOM 553 CZ ARG A 65 -1.006 -20.500 -22.026 1.00 0.00 C ATOM 554 NH1 ARG A 65 -2.063 -20.507 -22.790 1.00 0.00 N ATOM 555 NH2 ARG A 65 -1.083 -20.923 -20.795 1.00 0.00 N ATOM 0 H ARG A 65 2.709 -14.751 -24.708 1.00 0.00 H new ATOM 0 HA ARG A 65 2.336 -16.481 -22.426 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.256 -17.083 -23.416 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.871 -16.919 -25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.005 -18.980 -24.986 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.212 -18.937 -23.246 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.634 -18.986 -24.126 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.272 -20.418 -24.571 1.00 0.00 H new ATOM 0 HE ARG A 65 0.979 -20.068 -21.916 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.998 -20.178 -23.753 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.954 -20.842 -22.424 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.254 -20.919 -20.201 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.973 -21.258 -20.426 1.00 0.00 H new ATOM 569 N THR A 66 4.486 -17.441 -23.142 1.00 0.00 N ATOM 570 CA THR A 66 5.756 -18.044 -23.531 1.00 0.00 C ATOM 571 C THR A 66 5.915 -19.409 -22.872 1.00 0.00 C ATOM 572 O THR A 66 6.979 -20.024 -22.940 1.00 0.00 O ATOM 573 CB THR A 66 6.923 -17.154 -23.110 1.00 0.00 C ATOM 574 OG1 THR A 66 7.007 -17.133 -21.691 1.00 0.00 O ATOM 575 CG2 THR A 66 6.712 -15.734 -23.634 1.00 0.00 C ATOM 0 H THR A 66 4.340 -17.370 -22.135 1.00 0.00 H new ATOM 0 HA THR A 66 5.758 -18.156 -24.615 1.00 0.00 H new ATOM 0 HB THR A 66 7.849 -17.550 -23.527 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.143 -16.864 -21.316 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.549 -15.106 -23.329 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.650 -15.753 -24.722 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.786 -15.329 -23.225 1.00 0.00 H new ATOM 583 N ASP A 67 4.847 -19.879 -22.241 1.00 0.00 N ATOM 584 CA ASP A 67 4.873 -21.174 -21.576 1.00 0.00 C ATOM 585 C ASP A 67 3.504 -21.827 -21.648 1.00 0.00 C ATOM 586 O ASP A 67 2.491 -21.152 -21.832 1.00 0.00 O ATOM 587 CB ASP A 67 5.287 -21.019 -20.112 1.00 0.00 C ATOM 588 CG ASP A 67 5.555 -22.392 -19.501 1.00 0.00 C ATOM 589 OD1 ASP A 67 5.485 -23.369 -20.230 1.00 0.00 O ATOM 590 OD2 ASP A 67 5.828 -22.448 -18.312 1.00 0.00 O ATOM 0 H ASP A 67 3.957 -19.386 -22.176 1.00 0.00 H new ATOM 0 HA ASP A 67 5.602 -21.804 -22.085 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.181 -20.399 -20.041 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.501 -20.510 -19.554 1.00 0.00 H new ATOM 595 N ASP A 68 3.483 -23.140 -21.497 1.00 0.00 N ATOM 596 CA ASP A 68 2.235 -23.878 -21.539 1.00 0.00 C ATOM 597 C ASP A 68 1.967 -24.511 -20.180 1.00 0.00 C ATOM 598 O ASP A 68 0.998 -25.249 -20.004 1.00 0.00 O ATOM 599 CB ASP A 68 2.318 -24.961 -22.616 1.00 0.00 C ATOM 600 CG ASP A 68 3.321 -26.035 -22.205 1.00 0.00 C ATOM 601 OD1 ASP A 68 3.602 -26.134 -21.025 1.00 0.00 O ATOM 602 OD2 ASP A 68 3.794 -26.743 -23.079 1.00 0.00 O ATOM 0 H ASP A 68 4.312 -23.714 -21.345 1.00 0.00 H new ATOM 0 HA ASP A 68 1.418 -23.198 -21.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.336 -25.409 -22.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.617 -24.518 -23.566 1.00 0.00 H new ATOM 607 N LYS A 69 2.851 -24.227 -19.229 1.00 0.00 N ATOM 608 CA LYS A 69 2.726 -24.780 -17.890 1.00 0.00 C ATOM 609 C LYS A 69 2.236 -23.736 -16.891 1.00 0.00 C ATOM 610 O LYS A 69 2.079 -24.035 -15.706 1.00 0.00 O ATOM 611 CB LYS A 69 4.075 -25.335 -17.438 1.00 0.00 C ATOM 612 CG LYS A 69 4.508 -26.438 -18.402 1.00 0.00 C ATOM 613 CD LYS A 69 5.571 -27.306 -17.735 1.00 0.00 C ATOM 614 CE LYS A 69 4.945 -28.028 -16.542 1.00 0.00 C ATOM 615 NZ LYS A 69 5.490 -29.411 -16.454 1.00 0.00 N ATOM 0 H LYS A 69 3.659 -23.619 -19.362 1.00 0.00 H new ATOM 0 HA LYS A 69 1.986 -25.580 -17.924 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.821 -24.540 -17.416 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.999 -25.729 -16.425 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.649 -27.048 -18.684 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.903 -26.000 -19.319 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.968 -28.029 -18.447 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.408 -26.690 -17.406 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.157 -27.483 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.861 -28.060 -16.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.063 -29.901 -15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.266 -29.929 -17.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.522 -29.370 -16.331 1.00 0.00 H new ATOM 629 N ILE A 70 1.987 -22.514 -17.360 1.00 0.00 N ATOM 630 CA ILE A 70 1.511 -21.455 -16.478 1.00 0.00 C ATOM 631 C ILE A 70 0.088 -21.080 -16.858 1.00 0.00 C ATOM 632 O ILE A 70 -0.240 -20.989 -18.042 1.00 0.00 O ATOM 633 CB ILE A 70 2.399 -20.219 -16.616 1.00 0.00 C ATOM 634 CG1 ILE A 70 3.867 -20.639 -16.564 1.00 0.00 C ATOM 635 CG2 ILE A 70 2.106 -19.242 -15.474 1.00 0.00 C ATOM 636 CD1 ILE A 70 4.148 -21.389 -15.263 1.00 0.00 C ATOM 0 H ILE A 70 2.106 -22.237 -18.334 1.00 0.00 H new ATOM 0 HA ILE A 70 1.542 -21.813 -15.449 1.00 0.00 H new ATOM 0 HB ILE A 70 2.193 -19.731 -17.569 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.103 -21.274 -17.418 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.508 -19.760 -16.633 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.741 -18.362 -15.576 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.059 -18.940 -15.513 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.309 -19.727 -14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.197 -21.685 -15.233 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.930 -20.740 -14.415 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.518 -22.277 -15.212 1.00 0.00 H new ATOM 648 N CYS A 71 -0.756 -20.868 -15.860 1.00 0.00 N ATOM 649 CA CYS A 71 -2.140 -20.507 -16.128 1.00 0.00 C ATOM 650 C CYS A 71 -2.811 -21.608 -16.940 1.00 0.00 C ATOM 651 O CYS A 71 -3.243 -21.395 -18.074 1.00 0.00 O ATOM 652 CB CYS A 71 -2.179 -19.183 -16.889 1.00 0.00 C ATOM 653 SG CYS A 71 -1.935 -17.831 -15.717 1.00 0.00 S ATOM 0 H CYS A 71 -0.513 -20.938 -14.872 1.00 0.00 H new ATOM 0 HA CYS A 71 -2.679 -20.392 -15.188 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.403 -19.164 -17.654 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.134 -19.070 -17.402 1.00 0.00 H new ATOM 658 N ASP A 72 -2.865 -22.796 -16.352 1.00 0.00 N ATOM 659 CA ASP A 72 -3.446 -23.954 -17.016 1.00 0.00 C ATOM 660 C ASP A 72 -4.844 -23.664 -17.551 1.00 0.00 C ATOM 661 O ASP A 72 -5.736 -23.230 -16.824 1.00 0.00 O ATOM 662 CB ASP A 72 -3.500 -25.133 -16.044 1.00 0.00 C ATOM 663 CG ASP A 72 -4.002 -26.380 -16.761 1.00 0.00 C ATOM 664 OD1 ASP A 72 -4.356 -26.268 -17.923 1.00 0.00 O ATOM 665 OD2 ASP A 72 -4.032 -27.427 -16.135 1.00 0.00 O ATOM 0 H ASP A 72 -2.512 -22.983 -15.413 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.811 -24.200 -17.867 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.509 -25.317 -15.628 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.158 -24.895 -15.208 1.00 0.00 H new ATOM 670 N ALA A 73 -5.009 -23.928 -18.840 1.00 0.00 N ATOM 671 CA ALA A 73 -6.275 -23.727 -19.528 1.00 0.00 C ATOM 672 C ALA A 73 -6.441 -24.809 -20.588 1.00 0.00 C ATOM 673 O ALA A 73 -5.712 -25.801 -20.583 1.00 0.00 O ATOM 674 CB ALA A 73 -6.292 -22.349 -20.193 1.00 0.00 C ATOM 0 H ALA A 73 -4.266 -24.289 -19.439 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.094 -23.784 -18.811 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.243 -22.205 -20.707 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.169 -21.577 -19.433 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.477 -22.283 -20.913 1.00 0.00 H new ATOM 680 N ASP A 74 -7.373 -24.610 -21.512 1.00 0.00 N ATOM 681 CA ASP A 74 -7.571 -25.582 -22.576 1.00 0.00 C ATOM 682 C ASP A 74 -6.277 -25.699 -23.392 1.00 0.00 C ATOM 683 O ASP A 74 -5.642 -24.689 -23.697 1.00 0.00 O ATOM 684 CB ASP A 74 -8.741 -25.139 -23.461 1.00 0.00 C ATOM 685 CG ASP A 74 -8.791 -23.617 -23.540 1.00 0.00 C ATOM 686 OD1 ASP A 74 -7.925 -22.980 -22.964 1.00 0.00 O ATOM 687 OD2 ASP A 74 -9.702 -23.110 -24.173 1.00 0.00 O ATOM 0 H ASP A 74 -7.992 -23.800 -21.546 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.811 -26.559 -22.157 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.631 -25.559 -24.461 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.678 -25.521 -23.056 1.00 0.00 H new ATOM 692 N PRO A 75 -5.849 -26.899 -23.709 1.00 0.00 N ATOM 693 CA PRO A 75 -4.575 -27.123 -24.450 1.00 0.00 C ATOM 694 C PRO A 75 -4.459 -26.316 -25.740 1.00 0.00 C ATOM 695 O PRO A 75 -3.365 -25.898 -26.112 1.00 0.00 O ATOM 696 CB PRO A 75 -4.547 -28.627 -24.751 1.00 0.00 C ATOM 697 CG PRO A 75 -5.866 -29.183 -24.322 1.00 0.00 C ATOM 698 CD PRO A 75 -6.527 -28.163 -23.400 1.00 0.00 C ATOM 0 HA PRO A 75 -3.731 -26.789 -23.846 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.381 -28.805 -25.814 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.731 -29.112 -24.215 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.497 -29.379 -25.189 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.730 -30.133 -23.805 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.599 -28.095 -23.586 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.402 -28.435 -22.352 1.00 0.00 H new ATOM 706 N PHE A 76 -5.572 -26.086 -26.418 1.00 0.00 N ATOM 707 CA PHE A 76 -5.534 -25.319 -27.660 1.00 0.00 C ATOM 708 C PHE A 76 -5.134 -23.876 -27.395 1.00 0.00 C ATOM 709 O PHE A 76 -4.441 -23.257 -28.201 1.00 0.00 O ATOM 710 CB PHE A 76 -6.894 -25.363 -28.354 1.00 0.00 C ATOM 711 CG PHE A 76 -7.115 -26.745 -28.911 1.00 0.00 C ATOM 712 CD1 PHE A 76 -6.675 -27.056 -30.202 1.00 0.00 C ATOM 713 CD2 PHE A 76 -7.755 -27.717 -28.136 1.00 0.00 C ATOM 714 CE1 PHE A 76 -6.876 -28.338 -30.718 1.00 0.00 C ATOM 715 CE2 PHE A 76 -7.956 -29.002 -28.651 1.00 0.00 C ATOM 716 CZ PHE A 76 -7.518 -29.314 -29.942 1.00 0.00 C ATOM 0 H PHE A 76 -6.498 -26.411 -26.139 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.787 -25.771 -28.312 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.685 -25.110 -27.648 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.933 -24.624 -29.154 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.180 -26.305 -30.800 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.094 -27.476 -27.139 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.537 -28.578 -31.715 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.449 -29.753 -28.052 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.674 -30.305 -30.341 1.00 0.00 H new ATOM 726 N GLN A 77 -5.560 -23.343 -26.259 1.00 0.00 N ATOM 727 CA GLN A 77 -5.217 -21.972 -25.907 1.00 0.00 C ATOM 728 C GLN A 77 -3.899 -21.953 -25.139 1.00 0.00 C ATOM 729 O GLN A 77 -3.521 -20.940 -24.557 1.00 0.00 O ATOM 730 CB GLN A 77 -6.350 -21.342 -25.089 1.00 0.00 C ATOM 731 CG GLN A 77 -7.657 -21.484 -25.883 1.00 0.00 C ATOM 732 CD GLN A 77 -8.747 -20.575 -25.331 1.00 0.00 C ATOM 733 OE1 GLN A 77 -9.085 -19.572 -25.955 1.00 0.00 O ATOM 734 NE2 GLN A 77 -9.337 -20.874 -24.208 1.00 0.00 N ATOM 0 H GLN A 77 -6.136 -23.831 -25.573 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.091 -21.381 -26.814 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.439 -21.835 -24.121 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.137 -20.291 -24.893 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.476 -21.242 -26.930 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.994 -22.520 -25.849 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.056 -21.707 -23.690 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.080 -20.275 -23.847 1.00 0.00 H new ATOM 743 N MET A 78 -3.201 -23.090 -25.165 1.00 0.00 N ATOM 744 CA MET A 78 -1.908 -23.216 -24.497 1.00 0.00 C ATOM 745 C MET A 78 -0.873 -23.790 -25.462 1.00 0.00 C ATOM 746 O MET A 78 0.298 -23.932 -25.112 1.00 0.00 O ATOM 747 CB MET A 78 -2.014 -24.140 -23.278 1.00 0.00 C ATOM 748 CG MET A 78 -2.909 -23.506 -22.217 1.00 0.00 C ATOM 749 SD MET A 78 -2.878 -24.522 -20.716 1.00 0.00 S ATOM 750 CE MET A 78 -1.330 -23.893 -20.016 1.00 0.00 C ATOM 0 H MET A 78 -3.511 -23.936 -25.642 1.00 0.00 H new ATOM 0 HA MET A 78 -1.600 -22.223 -24.170 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.420 -25.106 -23.578 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.022 -24.326 -22.865 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.566 -22.496 -21.993 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.930 -23.421 -22.590 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.867 -24.666 -19.403 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.652 -23.616 -20.823 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.538 -23.018 -19.401 1.00 0.00 H new ATOM 760 N GLU A 79 -1.317 -24.142 -26.672 1.00 0.00 N ATOM 761 CA GLU A 79 -0.410 -24.724 -27.665 1.00 0.00 C ATOM 762 C GLU A 79 0.732 -23.773 -28.005 1.00 0.00 C ATOM 763 O GLU A 79 1.898 -24.168 -27.988 1.00 0.00 O ATOM 764 CB GLU A 79 -1.159 -25.058 -28.969 1.00 0.00 C ATOM 765 CG GLU A 79 -1.897 -26.396 -28.861 1.00 0.00 C ATOM 766 CD GLU A 79 -2.567 -26.717 -30.196 1.00 0.00 C ATOM 767 OE1 GLU A 79 -2.858 -25.783 -30.926 1.00 0.00 O ATOM 768 OE2 GLU A 79 -2.774 -27.887 -30.472 1.00 0.00 O ATOM 0 H GLU A 79 -2.282 -24.037 -26.984 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.007 -25.634 -27.221 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.872 -24.265 -29.195 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.452 -25.096 -29.797 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.198 -27.188 -28.593 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.644 -26.348 -28.069 1.00 0.00 H new ATOM 775 N ASN A 80 0.403 -22.533 -28.336 1.00 0.00 N ATOM 776 CA ASN A 80 1.426 -21.553 -28.705 1.00 0.00 C ATOM 777 C ASN A 80 2.142 -20.979 -27.488 1.00 0.00 C ATOM 778 O ASN A 80 1.547 -20.260 -26.688 1.00 0.00 O ATOM 779 CB ASN A 80 0.769 -20.405 -29.474 1.00 0.00 C ATOM 780 CG ASN A 80 1.803 -19.334 -29.805 1.00 0.00 C ATOM 781 OD1 ASN A 80 2.886 -19.648 -30.299 1.00 0.00 O ATOM 782 ND2 ASN A 80 1.536 -18.081 -29.551 1.00 0.00 N ATOM 0 H ASN A 80 -0.553 -22.179 -28.358 1.00 0.00 H new ATOM 0 HA ASN A 80 2.165 -22.066 -29.320 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.319 -20.783 -30.392 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.036 -19.973 -28.879 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.226 -17.360 -29.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.638 -17.824 -29.142 1.00 0.00 H new ATOM 789 N VAL A 81 3.431 -21.284 -27.375 1.00 0.00 N ATOM 790 CA VAL A 81 4.233 -20.772 -26.271 1.00 0.00 C ATOM 791 C VAL A 81 5.158 -19.658 -26.760 1.00 0.00 C ATOM 792 O VAL A 81 6.269 -19.498 -26.257 1.00 0.00 O ATOM 793 CB VAL A 81 5.072 -21.888 -25.636 1.00 0.00 C ATOM 794 CG1 VAL A 81 4.157 -23.003 -25.123 1.00 0.00 C ATOM 795 CG2 VAL A 81 6.039 -22.458 -26.676 1.00 0.00 C ATOM 0 H VAL A 81 3.939 -21.879 -28.030 1.00 0.00 H new ATOM 0 HA VAL A 81 3.551 -20.375 -25.519 1.00 0.00 H new ATOM 0 HB VAL A 81 5.637 -21.477 -24.800 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.761 -23.791 -24.674 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.474 -22.598 -24.376 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.584 -23.414 -25.954 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.634 -23.251 -26.223 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.473 -22.863 -27.515 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.699 -21.667 -27.031 1.00 0.00 H new ATOM 805 N GLN A 82 4.696 -18.897 -27.756 1.00 0.00 N ATOM 806 CA GLN A 82 5.497 -17.805 -28.307 1.00 0.00 C ATOM 807 C GLN A 82 4.634 -16.587 -28.634 1.00 0.00 C ATOM 808 O GLN A 82 4.169 -16.427 -29.764 1.00 0.00 O ATOM 809 CB GLN A 82 6.214 -18.257 -29.578 1.00 0.00 C ATOM 810 CG GLN A 82 7.166 -19.404 -29.250 1.00 0.00 C ATOM 811 CD GLN A 82 8.346 -18.888 -28.435 1.00 0.00 C ATOM 812 OE1 GLN A 82 8.213 -18.639 -27.238 1.00 0.00 O ATOM 813 NE2 GLN A 82 9.502 -18.708 -29.019 1.00 0.00 N ATOM 0 H GLN A 82 3.782 -19.016 -28.192 1.00 0.00 H new ATOM 0 HA GLN A 82 6.227 -17.526 -27.547 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.486 -18.577 -30.324 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.768 -17.424 -30.011 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.638 -20.177 -28.691 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.524 -19.865 -30.171 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.610 -18.915 -30.012 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.296 -18.360 -28.482 1.00 0.00 H new ATOM 822 N CYS A 83 4.450 -15.721 -27.647 1.00 0.00 N ATOM 823 CA CYS A 83 3.673 -14.494 -27.827 1.00 0.00 C ATOM 824 C CYS A 83 4.275 -13.394 -26.953 1.00 0.00 C ATOM 825 O CYS A 83 4.393 -13.567 -25.737 1.00 0.00 O ATOM 826 CB CYS A 83 2.215 -14.731 -27.429 1.00 0.00 C ATOM 827 SG CYS A 83 1.217 -13.303 -27.926 1.00 0.00 S ATOM 0 H CYS A 83 4.829 -15.843 -26.708 1.00 0.00 H new ATOM 0 HA CYS A 83 3.704 -14.194 -28.874 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.839 -15.636 -27.906 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.140 -14.884 -26.352 1.00 0.00 H new ATOM 832 N TYR A 84 4.666 -12.272 -27.564 1.00 0.00 N ATOM 833 CA TYR A 84 5.273 -11.177 -26.804 1.00 0.00 C ATOM 834 C TYR A 84 4.608 -9.835 -27.114 1.00 0.00 C ATOM 835 O TYR A 84 4.099 -9.620 -28.214 1.00 0.00 O ATOM 836 CB TYR A 84 6.763 -11.082 -27.150 1.00 0.00 C ATOM 837 CG TYR A 84 7.431 -12.415 -26.918 1.00 0.00 C ATOM 838 CD1 TYR A 84 7.459 -13.374 -27.940 1.00 0.00 C ATOM 839 CD2 TYR A 84 8.029 -12.691 -25.684 1.00 0.00 C ATOM 840 CE1 TYR A 84 8.086 -14.610 -27.725 1.00 0.00 C ATOM 841 CE2 TYR A 84 8.655 -13.926 -25.469 1.00 0.00 C ATOM 842 CZ TYR A 84 8.683 -14.885 -26.489 1.00 0.00 C ATOM 843 OH TYR A 84 9.300 -16.100 -26.275 1.00 0.00 O ATOM 0 H TYR A 84 4.575 -12.100 -28.565 1.00 0.00 H new ATOM 0 HA TYR A 84 5.135 -11.392 -25.744 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.885 -10.781 -28.190 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.239 -10.316 -26.538 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.998 -13.161 -28.893 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.008 -11.952 -24.897 1.00 0.00 H new ATOM 0 HE1 TYR A 84 8.108 -15.349 -28.512 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.116 -14.138 -24.516 1.00 0.00 H new ATOM 0 HH TYR A 84 8.765 -16.814 -26.681 1.00 0.00 H new ATOM 853 N LEU A 85 4.642 -8.923 -26.138 1.00 0.00 N ATOM 854 CA LEU A 85 4.067 -7.591 -26.308 1.00 0.00 C ATOM 855 C LEU A 85 4.912 -6.559 -25.563 1.00 0.00 C ATOM 856 O LEU A 85 4.683 -6.299 -24.384 1.00 0.00 O ATOM 857 CB LEU A 85 2.639 -7.546 -25.762 1.00 0.00 C ATOM 858 CG LEU A 85 2.050 -6.168 -26.054 1.00 0.00 C ATOM 859 CD1 LEU A 85 1.794 -6.037 -27.556 1.00 0.00 C ATOM 860 CD2 LEU A 85 0.734 -5.986 -25.289 1.00 0.00 C ATOM 0 H LEU A 85 5.062 -9.085 -25.223 1.00 0.00 H new ATOM 0 HA LEU A 85 4.052 -7.362 -27.373 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.032 -8.323 -26.226 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.638 -7.739 -24.689 1.00 0.00 H new ATOM 0 HG LEU A 85 2.754 -5.400 -25.733 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.373 -5.054 -27.769 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.733 -6.155 -28.097 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.093 -6.809 -27.874 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.322 -5.000 -25.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.024 -6.752 -25.600 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.920 -6.076 -24.219 1.00 0.00 H new ATOM 872 N PRO A 86 5.887 -5.984 -26.215 1.00 0.00 N ATOM 873 CA PRO A 86 6.793 -4.975 -25.586 1.00 0.00 C ATOM 874 C PRO A 86 6.052 -3.869 -24.826 1.00 0.00 C ATOM 875 O PRO A 86 6.431 -3.523 -23.706 1.00 0.00 O ATOM 876 CB PRO A 86 7.567 -4.383 -26.766 1.00 0.00 C ATOM 877 CG PRO A 86 7.499 -5.399 -27.858 1.00 0.00 C ATOM 878 CD PRO A 86 6.237 -6.234 -27.624 1.00 0.00 C ATOM 0 HA PRO A 86 7.425 -5.444 -24.832 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.128 -3.438 -27.085 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.601 -4.177 -26.490 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.463 -4.913 -28.833 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.386 -6.032 -27.850 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.431 -5.932 -28.293 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.422 -7.293 -27.805 1.00 0.00 H new ATOM 886 N ASP A 87 5.025 -3.288 -25.442 1.00 0.00 N ATOM 887 CA ASP A 87 4.288 -2.191 -24.810 1.00 0.00 C ATOM 888 C ASP A 87 3.721 -2.576 -23.448 1.00 0.00 C ATOM 889 O ASP A 87 3.555 -1.716 -22.587 1.00 0.00 O ATOM 890 CB ASP A 87 3.152 -1.727 -25.721 1.00 0.00 C ATOM 891 CG ASP A 87 3.726 -0.975 -26.916 1.00 0.00 C ATOM 892 OD1 ASP A 87 4.871 -0.559 -26.833 1.00 0.00 O ATOM 893 OD2 ASP A 87 3.017 -0.833 -27.897 1.00 0.00 O ATOM 0 H ASP A 87 4.686 -3.553 -26.367 1.00 0.00 H new ATOM 0 HA ASP A 87 4.999 -1.380 -24.654 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.574 -2.585 -26.063 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.469 -1.083 -25.167 1.00 0.00 H new ATOM 898 N ALA A 88 3.411 -3.848 -23.247 1.00 0.00 N ATOM 899 CA ALA A 88 2.853 -4.278 -21.969 1.00 0.00 C ATOM 900 C ALA A 88 3.732 -3.810 -20.806 1.00 0.00 C ATOM 901 O ALA A 88 3.233 -3.516 -19.716 1.00 0.00 O ATOM 902 CB ALA A 88 2.724 -5.801 -21.941 1.00 0.00 C ATOM 0 H ALA A 88 3.532 -4.590 -23.936 1.00 0.00 H new ATOM 0 HA ALA A 88 1.866 -3.830 -21.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.307 -6.113 -20.984 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.066 -6.125 -22.747 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.708 -6.252 -22.072 1.00 0.00 H new ATOM 908 N PHE A 89 5.039 -3.731 -21.051 1.00 0.00 N ATOM 909 CA PHE A 89 5.985 -3.283 -20.034 1.00 0.00 C ATOM 910 C PHE A 89 5.746 -1.823 -19.636 1.00 0.00 C ATOM 911 O PHE A 89 5.831 -1.470 -18.461 1.00 0.00 O ATOM 912 CB PHE A 89 7.411 -3.454 -20.560 1.00 0.00 C ATOM 913 CG PHE A 89 8.387 -2.829 -19.598 1.00 0.00 C ATOM 914 CD1 PHE A 89 8.652 -3.442 -18.369 1.00 0.00 C ATOM 915 CD2 PHE A 89 9.025 -1.631 -19.937 1.00 0.00 C ATOM 916 CE1 PHE A 89 9.557 -2.856 -17.481 1.00 0.00 C ATOM 917 CE2 PHE A 89 9.931 -1.045 -19.049 1.00 0.00 C ATOM 918 CZ PHE A 89 10.197 -1.656 -17.819 1.00 0.00 C ATOM 0 H PHE A 89 5.466 -3.972 -21.946 1.00 0.00 H new ATOM 0 HA PHE A 89 5.839 -3.893 -19.142 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.638 -4.513 -20.686 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.505 -2.989 -21.541 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.158 -4.366 -18.107 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.817 -1.159 -20.886 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.764 -3.329 -16.532 1.00 0.00 H new ATOM 0 HE2 PHE A 89 10.425 -0.121 -19.312 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.895 -1.203 -17.130 1.00 0.00 H new ATOM 928 N LYS A 90 5.447 -0.980 -20.625 1.00 0.00 N ATOM 929 CA LYS A 90 5.205 0.437 -20.358 1.00 0.00 C ATOM 930 C LYS A 90 3.934 0.619 -19.534 1.00 0.00 C ATOM 931 O LYS A 90 3.886 1.448 -18.627 1.00 0.00 O ATOM 932 CB LYS A 90 5.078 1.231 -21.670 1.00 0.00 C ATOM 933 CG LYS A 90 3.609 1.301 -22.095 1.00 0.00 C ATOM 934 CD LYS A 90 3.496 1.832 -23.528 1.00 0.00 C ATOM 935 CE LYS A 90 3.748 3.341 -23.546 1.00 0.00 C ATOM 936 NZ LYS A 90 2.880 3.975 -24.581 1.00 0.00 N ATOM 0 H LYS A 90 5.367 -1.249 -21.606 1.00 0.00 H new ATOM 0 HA LYS A 90 6.058 0.817 -19.795 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.476 2.237 -21.537 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.670 0.755 -22.452 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.157 0.311 -22.030 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.057 1.949 -21.415 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.217 1.326 -24.170 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.506 1.615 -23.928 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.536 3.768 -22.566 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.797 3.543 -23.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.050 5.001 -24.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.103 3.574 -25.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.881 3.792 -24.356 1.00 0.00 H new ATOM 950 N ILE A 91 2.899 -0.153 -19.868 1.00 0.00 N ATOM 951 CA ILE A 91 1.618 -0.060 -19.169 1.00 0.00 C ATOM 952 C ILE A 91 1.754 -0.362 -17.675 1.00 0.00 C ATOM 953 O ILE A 91 1.284 0.412 -16.840 1.00 0.00 O ATOM 954 CB ILE A 91 0.609 -1.017 -19.812 1.00 0.00 C ATOM 955 CG1 ILE A 91 0.308 -0.557 -21.243 1.00 0.00 C ATOM 956 CG2 ILE A 91 -0.688 -1.024 -19.004 1.00 0.00 C ATOM 957 CD1 ILE A 91 -0.635 -1.556 -21.916 1.00 0.00 C ATOM 0 H ILE A 91 2.923 -0.847 -20.615 1.00 0.00 H new ATOM 0 HA ILE A 91 1.263 0.967 -19.260 1.00 0.00 H new ATOM 0 HB ILE A 91 1.031 -2.022 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.146 0.434 -21.229 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.234 -0.476 -21.812 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.401 -1.706 -19.467 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.480 -1.352 -17.985 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.109 -0.019 -18.983 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.848 -1.227 -22.933 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.165 -2.539 -21.943 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.566 -1.615 -21.352 1.00 0.00 H new ATOM 969 N MET A 92 2.394 -1.474 -17.329 1.00 0.00 N ATOM 970 CA MET A 92 2.552 -1.817 -15.921 1.00 0.00 C ATOM 971 C MET A 92 3.488 -0.830 -15.237 1.00 0.00 C ATOM 972 O MET A 92 3.330 -0.520 -14.056 1.00 0.00 O ATOM 973 CB MET A 92 3.094 -3.243 -15.768 1.00 0.00 C ATOM 974 CG MET A 92 1.969 -4.250 -16.025 1.00 0.00 C ATOM 975 SD MET A 92 1.661 -5.216 -14.525 1.00 0.00 S ATOM 976 CE MET A 92 0.897 -3.896 -13.550 1.00 0.00 C ATOM 0 H MET A 92 2.803 -2.139 -17.986 1.00 0.00 H new ATOM 0 HA MET A 92 1.572 -1.764 -15.446 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.912 -3.409 -16.469 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.500 -3.383 -14.766 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.061 -3.727 -16.325 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.241 -4.913 -16.846 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.656 -4.271 -12.555 1.00 0.00 H new ATOM 0 HE2 MET A 92 1.590 -3.059 -13.464 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.016 -3.562 -14.043 1.00 0.00 H new ATOM 986 N SER A 93 4.458 -0.339 -15.994 1.00 0.00 N ATOM 987 CA SER A 93 5.424 0.617 -15.472 1.00 0.00 C ATOM 988 C SER A 93 4.748 1.922 -15.030 1.00 0.00 C ATOM 989 O SER A 93 5.011 2.423 -13.939 1.00 0.00 O ATOM 990 CB SER A 93 6.452 0.910 -16.562 1.00 0.00 C ATOM 991 OG SER A 93 7.107 -0.302 -16.920 1.00 0.00 O ATOM 0 H SER A 93 4.597 -0.587 -16.973 1.00 0.00 H new ATOM 0 HA SER A 93 5.906 0.186 -14.594 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.963 1.345 -17.434 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.179 1.640 -16.207 1.00 0.00 H new ATOM 0 HG SER A 93 6.458 -0.921 -17.315 1.00 0.00 H new ATOM 997 N GLN A 94 3.876 2.458 -15.877 1.00 0.00 N ATOM 998 CA GLN A 94 3.169 3.699 -15.558 1.00 0.00 C ATOM 999 C GLN A 94 2.187 3.516 -14.401 1.00 0.00 C ATOM 1000 O GLN A 94 1.936 4.443 -13.631 1.00 0.00 O ATOM 1001 CB GLN A 94 2.401 4.190 -16.787 1.00 0.00 C ATOM 1002 CG GLN A 94 3.377 4.577 -17.898 1.00 0.00 C ATOM 1003 CD GLN A 94 2.613 5.200 -19.061 1.00 0.00 C ATOM 1004 OE1 GLN A 94 2.326 6.398 -19.045 1.00 0.00 O ATOM 1005 NE2 GLN A 94 2.256 4.457 -20.072 1.00 0.00 N ATOM 0 H GLN A 94 3.641 2.058 -16.785 1.00 0.00 H new ATOM 0 HA GLN A 94 3.918 4.432 -15.259 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.727 3.409 -17.140 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.783 5.047 -16.520 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.116 5.282 -17.517 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.922 3.697 -18.239 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.494 3.465 -20.085 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.739 4.868 -20.849 1.00 0.00 H new ATOM 1014 N ARG A 95 1.602 2.327 -14.325 1.00 0.00 N ATOM 1015 CA ARG A 95 0.601 2.030 -13.301 1.00 0.00 C ATOM 1016 C ARG A 95 1.170 1.693 -11.915 1.00 0.00 C ATOM 1017 O ARG A 95 0.514 1.958 -10.910 1.00 0.00 O ATOM 1018 CB ARG A 95 -0.280 0.884 -13.786 1.00 0.00 C ATOM 1019 CG ARG A 95 -1.027 1.346 -15.036 1.00 0.00 C ATOM 1020 CD ARG A 95 -2.024 0.277 -15.476 1.00 0.00 C ATOM 1021 NE ARG A 95 -2.586 0.623 -16.777 1.00 0.00 N ATOM 1022 CZ ARG A 95 -3.874 0.437 -17.049 1.00 0.00 C ATOM 1023 NH1 ARG A 95 -4.683 -0.017 -16.129 1.00 0.00 N ATOM 1024 NH2 ARG A 95 -4.335 0.722 -18.237 1.00 0.00 N ATOM 0 H ARG A 95 1.801 1.552 -14.958 1.00 0.00 H new ATOM 0 HA ARG A 95 0.030 2.948 -13.163 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.327 0.007 -14.010 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.986 0.593 -13.008 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.550 2.280 -14.832 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.318 1.546 -15.840 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.529 -0.693 -15.531 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.822 0.187 -14.739 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.977 1.017 -17.494 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.327 -0.230 -15.197 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.670 -0.158 -16.343 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.707 1.086 -18.954 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.323 0.580 -18.448 1.00 0.00 H new ATOM 1038 N CYS A 96 2.348 1.071 -11.848 1.00 0.00 N ATOM 1039 CA CYS A 96 2.901 0.682 -10.545 1.00 0.00 C ATOM 1040 C CYS A 96 4.178 1.435 -10.168 1.00 0.00 C ATOM 1041 O CYS A 96 4.590 1.409 -9.009 1.00 0.00 O ATOM 1042 CB CYS A 96 3.180 -0.819 -10.534 1.00 0.00 C ATOM 1043 SG CYS A 96 1.657 -1.718 -10.911 1.00 0.00 S ATOM 0 H CYS A 96 2.925 0.830 -12.654 1.00 0.00 H new ATOM 0 HA CYS A 96 2.149 0.947 -9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.949 -1.062 -11.267 1.00 0.00 H new ATOM 0 HB3 CYS A 96 3.562 -1.122 -9.559 1.00 0.00 H new ATOM 1048 N ASN A 97 4.830 2.077 -11.128 1.00 0.00 N ATOM 1049 CA ASN A 97 6.065 2.786 -10.818 1.00 0.00 C ATOM 1050 C ASN A 97 5.839 3.879 -9.779 1.00 0.00 C ATOM 1051 O ASN A 97 4.936 4.703 -9.920 1.00 0.00 O ATOM 1052 CB ASN A 97 6.658 3.411 -12.080 1.00 0.00 C ATOM 1053 CG ASN A 97 7.249 2.330 -12.977 1.00 0.00 C ATOM 1054 OD1 ASN A 97 7.414 1.187 -12.551 1.00 0.00 O ATOM 1055 ND2 ASN A 97 7.584 2.631 -14.203 1.00 0.00 N ATOM 0 H ASN A 97 4.535 2.122 -12.103 1.00 0.00 H new ATOM 0 HA ASN A 97 6.761 2.054 -10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.886 3.959 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.430 4.131 -11.809 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.984 1.917 -14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.445 3.580 -14.551 1.00 0.00 H new ATOM 1062 N ASN A 98 6.692 3.886 -8.754 1.00 0.00 N ATOM 1063 CA ASN A 98 6.631 4.891 -7.692 1.00 0.00 C ATOM 1064 C ASN A 98 5.394 4.745 -6.807 1.00 0.00 C ATOM 1065 O ASN A 98 5.069 5.647 -6.035 1.00 0.00 O ATOM 1066 CB ASN A 98 6.696 6.301 -8.283 1.00 0.00 C ATOM 1067 CG ASN A 98 8.105 6.566 -8.798 1.00 0.00 C ATOM 1068 OD1 ASN A 98 8.952 5.674 -8.788 1.00 0.00 O ATOM 1069 ND2 ASN A 98 8.357 7.794 -9.236 1.00 0.00 N ATOM 0 H ASN A 98 7.439 3.201 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 98 7.499 4.724 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.975 6.401 -9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.428 7.038 -7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.621 8.501 -9.225 1.00 0.00 H new ATOM 1075 N ARG A 99 4.717 3.606 -6.896 1.00 0.00 N ATOM 1076 CA ARG A 99 3.540 3.378 -6.066 1.00 0.00 C ATOM 1077 C ARG A 99 3.792 2.235 -5.098 1.00 0.00 C ATOM 1078 O ARG A 99 4.506 1.283 -5.412 1.00 0.00 O ATOM 1079 CB ARG A 99 2.325 3.042 -6.925 1.00 0.00 C ATOM 1080 CG ARG A 99 1.892 4.271 -7.715 1.00 0.00 C ATOM 1081 CD ARG A 99 0.669 3.906 -8.553 1.00 0.00 C ATOM 1082 NE ARG A 99 0.435 4.894 -9.602 1.00 0.00 N ATOM 1083 CZ ARG A 99 -0.479 4.678 -10.543 1.00 0.00 C ATOM 1084 NH1 ARG A 99 -1.122 3.541 -10.575 1.00 0.00 N ATOM 1085 NH2 ARG A 99 -0.721 5.589 -11.446 1.00 0.00 N ATOM 0 H ARG A 99 4.957 2.838 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 99 3.342 4.295 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.565 2.227 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.506 2.698 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.655 5.092 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.703 4.612 -8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.812 2.923 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.209 3.839 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 99 0.978 5.758 -9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.922 2.822 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.824 3.372 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.208 6.471 -11.431 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.423 5.419 -12.166 1.00 0.00 H new ATOM 1099 N THR A 100 3.198 2.338 -3.921 1.00 0.00 N ATOM 1100 CA THR A 100 3.353 1.310 -2.909 1.00 0.00 C ATOM 1101 C THR A 100 2.571 0.062 -3.317 1.00 0.00 C ATOM 1102 O THR A 100 2.974 -1.059 -3.017 1.00 0.00 O ATOM 1103 CB THR A 100 2.862 1.850 -1.564 1.00 0.00 C ATOM 1104 OG1 THR A 100 3.520 3.079 -1.283 1.00 0.00 O ATOM 1105 CG2 THR A 100 3.172 0.845 -0.451 1.00 0.00 C ATOM 0 H THR A 100 2.606 3.121 -3.644 1.00 0.00 H new ATOM 0 HA THR A 100 4.404 1.036 -2.813 1.00 0.00 H new ATOM 0 HB THR A 100 1.785 2.008 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.207 3.429 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.819 1.238 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.670 -0.099 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.248 0.680 -0.399 1.00 0.00 H new ATOM 1113 N GLN A 101 1.456 0.272 -4.018 1.00 0.00 N ATOM 1114 CA GLN A 101 0.637 -0.845 -4.487 1.00 0.00 C ATOM 1115 C GLN A 101 -0.182 -0.453 -5.715 1.00 0.00 C ATOM 1116 O GLN A 101 -0.493 0.722 -5.921 1.00 0.00 O ATOM 1117 CB GLN A 101 -0.298 -1.325 -3.377 1.00 0.00 C ATOM 1118 CG GLN A 101 -1.277 -0.211 -3.017 1.00 0.00 C ATOM 1119 CD GLN A 101 -2.655 -0.515 -3.596 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -3.128 -1.732 -3.538 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 -3.320 0.382 -4.116 1.00 0.00 N flip ATOM 0 H GLN A 101 1.103 1.195 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 101 1.311 -1.655 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -0.843 -2.211 -3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.280 -1.613 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -1.343 -0.111 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.914 0.741 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -2.949 1.331 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -4.241 0.176 -4.502 1.00 0.00 H new ATOM 1130 N CYS A 102 -0.535 -1.450 -6.523 1.00 0.00 N ATOM 1131 CA CYS A 102 -1.326 -1.208 -7.724 1.00 0.00 C ATOM 1132 C CYS A 102 -2.131 -2.446 -8.104 1.00 0.00 C ATOM 1133 O CYS A 102 -1.697 -3.577 -7.883 1.00 0.00 O ATOM 1134 CB CYS A 102 -0.410 -0.830 -8.888 1.00 0.00 C ATOM 1135 SG CYS A 102 0.855 -2.108 -9.099 1.00 0.00 S ATOM 0 H CYS A 102 -0.287 -2.427 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 102 -2.014 -0.389 -7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.992 -0.725 -9.804 1.00 0.00 H new ATOM 0 HB3 CYS A 102 0.060 0.134 -8.696 1.00 0.00 H new ATOM 1140 N VAL A 103 -3.298 -2.221 -8.699 1.00 0.00 N ATOM 1141 CA VAL A 103 -4.146 -3.318 -9.136 1.00 0.00 C ATOM 1142 C VAL A 103 -4.507 -3.109 -10.602 1.00 0.00 C ATOM 1143 O VAL A 103 -4.985 -2.039 -10.980 1.00 0.00 O ATOM 1144 CB VAL A 103 -5.414 -3.377 -8.280 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -6.195 -4.652 -8.602 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -5.024 -3.380 -6.800 1.00 0.00 C ATOM 0 H VAL A 103 -3.675 -1.292 -8.888 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.613 -4.262 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.037 -2.509 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.097 -4.690 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.471 -4.653 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.575 -5.522 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.924 -3.422 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.401 -4.249 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.469 -2.471 -6.568 1.00 0.00 H new ATOM 1156 N VAL A 104 -4.250 -4.112 -11.436 1.00 0.00 N ATOM 1157 CA VAL A 104 -4.536 -3.977 -12.862 1.00 0.00 C ATOM 1158 C VAL A 104 -5.061 -5.272 -13.471 1.00 0.00 C ATOM 1159 O VAL A 104 -4.600 -6.359 -13.132 1.00 0.00 O ATOM 1160 CB VAL A 104 -3.257 -3.564 -13.594 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -3.555 -3.362 -15.081 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -2.726 -2.257 -13.001 1.00 0.00 C ATOM 0 H VAL A 104 -3.853 -5.009 -11.158 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.311 -3.219 -12.973 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.509 -4.348 -13.478 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.642 -3.068 -15.598 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.930 -4.293 -15.507 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.306 -2.581 -15.199 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.815 -1.964 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.477 -1.475 -13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.507 -2.400 -11.943 1.00 0.00 H new ATOM 1172 N VAL A 105 -6.003 -5.139 -14.405 1.00 0.00 N ATOM 1173 CA VAL A 105 -6.544 -6.313 -15.082 1.00 0.00 C ATOM 1174 C VAL A 105 -5.534 -6.777 -16.122 1.00 0.00 C ATOM 1175 O VAL A 105 -5.198 -6.039 -17.048 1.00 0.00 O ATOM 1176 CB VAL A 105 -7.877 -6.004 -15.767 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -8.585 -7.312 -16.130 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -8.773 -5.186 -14.829 1.00 0.00 C ATOM 0 H VAL A 105 -6.400 -4.248 -14.704 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.725 -7.092 -14.341 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.684 -5.428 -16.672 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.534 -7.089 -16.618 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.956 -7.890 -16.807 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.770 -7.889 -15.224 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.719 -4.971 -15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.962 -5.755 -13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.276 -4.250 -14.575 1.00 0.00 H new ATOM 1188 N ALA A 106 -5.040 -7.995 -15.952 1.00 0.00 N ATOM 1189 CA ALA A 106 -4.051 -8.541 -16.872 1.00 0.00 C ATOM 1190 C ALA A 106 -4.670 -8.878 -18.223 1.00 0.00 C ATOM 1191 O ALA A 106 -4.399 -9.934 -18.775 1.00 0.00 O ATOM 1192 CB ALA A 106 -3.421 -9.799 -16.277 1.00 0.00 C ATOM 0 H ALA A 106 -5.305 -8.621 -15.191 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.286 -7.779 -17.025 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -2.683 -10.200 -16.972 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.934 -9.551 -15.334 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.196 -10.545 -16.100 1.00 0.00 H new ATOM 1198 N GLY A 107 -5.496 -7.988 -18.759 1.00 0.00 N ATOM 1199 CA GLY A 107 -6.118 -8.245 -20.053 1.00 0.00 C ATOM 1200 C GLY A 107 -7.032 -7.104 -20.474 1.00 0.00 C ATOM 1201 O GLY A 107 -6.618 -5.946 -20.532 1.00 0.00 O ATOM 0 H GLY A 107 -5.748 -7.098 -18.328 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.344 -8.388 -20.807 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.691 -9.171 -20.004 1.00 0.00 H new ATOM 1205 N SER A 108 -8.281 -7.444 -20.762 1.00 0.00 N ATOM 1206 CA SER A 108 -9.262 -6.450 -21.176 1.00 0.00 C ATOM 1207 C SER A 108 -8.590 -5.268 -21.873 1.00 0.00 C ATOM 1208 O SER A 108 -7.523 -5.407 -22.471 1.00 0.00 O ATOM 1209 CB SER A 108 -10.025 -5.959 -19.948 1.00 0.00 C ATOM 1210 OG SER A 108 -11.351 -5.613 -20.322 1.00 0.00 O ATOM 0 H SER A 108 -8.638 -8.398 -20.717 1.00 0.00 H new ATOM 0 HA SER A 108 -9.949 -6.912 -21.884 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.042 -6.735 -19.183 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.521 -5.095 -19.515 1.00 0.00 H new ATOM 0 HG SER A 108 -11.842 -5.299 -19.534 1.00 0.00 H new ATOM 1216 N ASP A 109 -9.236 -4.109 -21.802 1.00 0.00 N ATOM 1217 CA ASP A 109 -8.724 -2.899 -22.435 1.00 0.00 C ATOM 1218 C ASP A 109 -7.402 -2.471 -21.810 1.00 0.00 C ATOM 1219 O ASP A 109 -6.735 -1.565 -22.310 1.00 0.00 O ATOM 1220 CB ASP A 109 -9.741 -1.759 -22.303 1.00 0.00 C ATOM 1221 CG ASP A 109 -10.992 -2.071 -23.120 1.00 0.00 C ATOM 1222 OD1 ASP A 109 -11.010 -3.103 -23.770 1.00 0.00 O ATOM 1223 OD2 ASP A 109 -11.909 -1.270 -23.086 1.00 0.00 O ATOM 0 H ASP A 109 -10.120 -3.982 -21.309 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.558 -3.120 -23.489 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.008 -1.619 -21.255 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.297 -0.825 -22.646 1.00 0.00 H new ATOM 1228 N ALA A 110 -7.039 -3.099 -20.700 1.00 0.00 N ATOM 1229 CA ALA A 110 -5.805 -2.732 -20.014 1.00 0.00 C ATOM 1230 C ALA A 110 -4.580 -3.286 -20.741 1.00 0.00 C ATOM 1231 O ALA A 110 -3.455 -2.859 -20.478 1.00 0.00 O ATOM 1232 CB ALA A 110 -5.828 -3.260 -18.581 1.00 0.00 C ATOM 0 H ALA A 110 -7.569 -3.852 -20.261 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.738 -1.644 -20.005 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.903 -2.982 -18.076 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.676 -2.830 -18.048 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.921 -4.346 -18.595 1.00 0.00 H new ATOM 1238 N PHE A 111 -4.788 -4.218 -21.667 1.00 0.00 N ATOM 1239 CA PHE A 111 -3.671 -4.780 -22.420 1.00 0.00 C ATOM 1240 C PHE A 111 -4.088 -5.054 -23.870 1.00 0.00 C ATOM 1241 O PHE A 111 -5.120 -5.680 -24.110 1.00 0.00 O ATOM 1242 CB PHE A 111 -3.200 -6.088 -21.782 1.00 0.00 C ATOM 1243 CG PHE A 111 -2.397 -5.790 -20.541 1.00 0.00 C ATOM 1244 CD1 PHE A 111 -3.051 -5.577 -19.322 1.00 0.00 C ATOM 1245 CD2 PHE A 111 -0.999 -5.727 -20.608 1.00 0.00 C ATOM 1246 CE1 PHE A 111 -2.307 -5.303 -18.171 1.00 0.00 C ATOM 1247 CE2 PHE A 111 -0.256 -5.453 -19.455 1.00 0.00 C ATOM 1248 CZ PHE A 111 -0.911 -5.241 -18.236 1.00 0.00 C ATOM 0 H PHE A 111 -5.704 -4.595 -21.911 1.00 0.00 H new ATOM 0 HA PHE A 111 -2.857 -4.056 -22.406 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.059 -6.710 -21.530 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.595 -6.652 -22.491 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.129 -5.624 -19.271 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.495 -5.890 -21.549 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.811 -5.139 -17.230 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.822 -5.405 -19.505 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.338 -5.029 -17.345 1.00 0.00 H new ATOM 1258 N PRO A 112 -3.314 -4.607 -24.833 1.00 0.00 N ATOM 1259 CA PRO A 112 -3.622 -4.830 -26.277 1.00 0.00 C ATOM 1260 C PRO A 112 -3.987 -6.283 -26.579 1.00 0.00 C ATOM 1261 O PRO A 112 -4.376 -7.036 -25.687 1.00 0.00 O ATOM 1262 CB PRO A 112 -2.333 -4.440 -27.000 1.00 0.00 C ATOM 1263 CG PRO A 112 -1.575 -3.554 -26.062 1.00 0.00 C ATOM 1264 CD PRO A 112 -2.071 -3.841 -24.646 1.00 0.00 C ATOM 0 HA PRO A 112 -4.487 -4.247 -26.593 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.749 -5.324 -27.257 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.553 -3.921 -27.933 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.504 -3.744 -26.138 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.731 -2.506 -26.316 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.336 -4.411 -24.077 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.254 -2.918 -24.096 1.00 0.00 H new ATOM 1272 N ASP A 113 -3.847 -6.671 -27.846 1.00 0.00 N ATOM 1273 CA ASP A 113 -4.158 -8.040 -28.254 1.00 0.00 C ATOM 1274 C ASP A 113 -3.113 -8.556 -29.241 1.00 0.00 C ATOM 1275 O ASP A 113 -3.240 -8.357 -30.450 1.00 0.00 O ATOM 1276 CB ASP A 113 -5.538 -8.095 -28.911 1.00 0.00 C ATOM 1277 CG ASP A 113 -6.088 -9.514 -28.838 1.00 0.00 C ATOM 1278 OD1 ASP A 113 -5.465 -10.337 -28.187 1.00 0.00 O ATOM 1279 OD2 ASP A 113 -7.127 -9.760 -29.429 1.00 0.00 O ATOM 0 H ASP A 113 -3.524 -6.065 -28.600 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.152 -8.669 -27.364 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.217 -7.406 -28.410 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.469 -7.775 -29.951 1.00 0.00 H new ATOM 1284 N PRO A 114 -2.086 -9.200 -28.755 1.00 0.00 N ATOM 1285 CA PRO A 114 -1.000 -9.739 -29.616 1.00 0.00 C ATOM 1286 C PRO A 114 -1.321 -11.122 -30.196 1.00 0.00 C ATOM 1287 O PRO A 114 -0.992 -11.406 -31.347 1.00 0.00 O ATOM 1288 CB PRO A 114 0.169 -9.821 -28.644 1.00 0.00 C ATOM 1289 CG PRO A 114 -0.463 -10.176 -27.340 1.00 0.00 C ATOM 1290 CD PRO A 114 -1.834 -9.488 -27.331 1.00 0.00 C ATOM 0 HA PRO A 114 -0.820 -9.119 -30.494 1.00 0.00 H new ATOM 0 HB2 PRO A 114 0.893 -10.575 -28.954 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.703 -8.873 -28.583 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.568 -11.256 -27.239 1.00 0.00 H new ATOM 0 HG3 PRO A 114 0.149 -9.836 -26.505 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.604 -10.134 -26.910 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.821 -8.576 -26.734 1.00 0.00 H new ATOM 1298 N CYS A 115 -1.954 -11.985 -29.399 1.00 0.00 N ATOM 1299 CA CYS A 115 -2.285 -13.324 -29.874 1.00 0.00 C ATOM 1300 C CYS A 115 -3.651 -13.785 -29.359 1.00 0.00 C ATOM 1301 O CYS A 115 -3.746 -14.490 -28.352 1.00 0.00 O ATOM 1302 CB CYS A 115 -1.206 -14.314 -29.435 1.00 0.00 C ATOM 1303 SG CYS A 115 -0.692 -13.941 -27.741 1.00 0.00 S ATOM 0 H CYS A 115 -2.242 -11.784 -28.441 1.00 0.00 H new ATOM 0 HA CYS A 115 -2.331 -13.289 -30.962 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -1.588 -15.333 -29.494 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -0.350 -14.255 -30.107 1.00 0.00 H new ATOM 1308 N PRO A 116 -4.697 -13.405 -30.044 1.00 0.00 N ATOM 1309 CA PRO A 116 -6.095 -13.783 -29.681 1.00 0.00 C ATOM 1310 C PRO A 116 -6.344 -15.290 -29.812 1.00 0.00 C ATOM 1311 O PRO A 116 -5.890 -15.923 -30.766 1.00 0.00 O ATOM 1312 CB PRO A 116 -6.978 -12.996 -30.673 1.00 0.00 C ATOM 1313 CG PRO A 116 -6.076 -12.042 -31.388 1.00 0.00 C ATOM 1314 CD PRO A 116 -4.650 -12.565 -31.242 1.00 0.00 C ATOM 0 HA PRO A 116 -6.312 -13.547 -28.639 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.464 -13.671 -31.378 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.768 -12.461 -30.147 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.352 -11.968 -32.440 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.163 -11.041 -30.965 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.344 -13.137 -32.118 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.936 -11.749 -31.129 1.00 0.00 H new ATOM 1322 N GLY A 117 -7.086 -15.851 -28.858 1.00 0.00 N ATOM 1323 CA GLY A 117 -7.413 -17.277 -28.885 1.00 0.00 C ATOM 1324 C GLY A 117 -6.464 -18.108 -28.021 1.00 0.00 C ATOM 1325 O GLY A 117 -6.633 -19.322 -27.905 1.00 0.00 O ATOM 0 H GLY A 117 -7.470 -15.344 -28.061 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -8.436 -17.419 -28.537 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -7.373 -17.637 -29.913 1.00 0.00 H new ATOM 1329 N THR A 118 -5.483 -17.462 -27.402 1.00 0.00 N ATOM 1330 CA THR A 118 -4.537 -18.160 -26.544 1.00 0.00 C ATOM 1331 C THR A 118 -4.734 -17.680 -25.114 1.00 0.00 C ATOM 1332 O THR A 118 -5.049 -16.512 -24.896 1.00 0.00 O ATOM 1333 CB THR A 118 -3.110 -17.859 -27.008 1.00 0.00 C ATOM 1334 OG1 THR A 118 -3.009 -18.085 -28.406 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.123 -18.767 -26.277 1.00 0.00 C ATOM 0 H THR A 118 -5.323 -16.458 -27.479 1.00 0.00 H new ATOM 0 HA THR A 118 -4.703 -19.236 -26.595 1.00 0.00 H new ATOM 0 HB THR A 118 -2.874 -16.818 -26.786 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.096 -17.891 -28.704 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.109 -18.547 -26.612 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.196 -18.594 -25.203 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.359 -19.809 -26.493 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.539 -18.553 -24.134 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.702 -18.129 -22.754 1.00 0.00 C ATOM 1345 C TYR A 119 -3.381 -17.562 -22.268 1.00 0.00 C ATOM 1346 O TYR A 119 -2.464 -18.293 -21.894 1.00 0.00 O ATOM 1347 CB TYR A 119 -5.144 -19.318 -21.893 1.00 0.00 C ATOM 1348 CG TYR A 119 -5.754 -18.830 -20.597 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.903 -18.022 -20.609 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -5.183 -19.211 -19.376 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.475 -17.597 -19.396 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -5.753 -18.784 -18.170 1.00 0.00 C ATOM 1353 CZ TYR A 119 -6.896 -17.979 -18.180 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.455 -17.563 -16.988 1.00 0.00 O ATOM 0 H TYR A 119 -4.276 -19.530 -24.264 1.00 0.00 H new ATOM 0 HA TYR A 119 -5.471 -17.360 -22.679 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.869 -19.922 -22.439 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.289 -19.960 -21.681 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.347 -17.727 -21.548 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -4.302 -19.835 -19.365 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.359 -16.977 -19.403 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.309 -19.077 -17.230 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.931 -17.917 -16.240 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.293 -16.247 -22.330 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.085 -15.529 -21.958 1.00 0.00 C ATOM 1366 C LYS A 120 -1.840 -15.451 -20.452 1.00 0.00 C ATOM 1367 O LYS A 120 -2.483 -16.109 -19.634 1.00 0.00 O ATOM 1368 CB LYS A 120 -2.148 -14.114 -22.550 1.00 0.00 C ATOM 1369 CG LYS A 120 -1.831 -14.189 -24.040 1.00 0.00 C ATOM 1370 CD LYS A 120 -1.953 -12.799 -24.662 1.00 0.00 C ATOM 1371 CE LYS A 120 -3.407 -12.554 -25.055 1.00 0.00 C ATOM 1372 NZ LYS A 120 -3.905 -13.702 -25.866 1.00 0.00 N ATOM 0 H LYS A 120 -4.056 -15.645 -22.639 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.246 -16.094 -22.364 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -3.138 -13.684 -22.396 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.435 -13.462 -22.045 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.823 -14.577 -24.188 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.515 -14.880 -24.533 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -1.622 -12.040 -23.954 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -1.308 -12.721 -25.538 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.020 -12.433 -24.162 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.489 -11.629 -25.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -4.761 -13.417 -26.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.172 -13.992 -26.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.130 -14.499 -25.237 1.00 0.00 H new ATOM 1386 N TYR A 121 -0.922 -14.557 -20.141 1.00 0.00 N ATOM 1387 CA TYR A 121 -0.556 -14.256 -18.778 1.00 0.00 C ATOM 1388 C TYR A 121 0.233 -12.972 -18.719 1.00 0.00 C ATOM 1389 O TYR A 121 0.725 -12.480 -19.735 1.00 0.00 O ATOM 1390 CB TYR A 121 0.215 -15.414 -18.123 1.00 0.00 C ATOM 1391 CG TYR A 121 1.544 -15.663 -18.800 1.00 0.00 C ATOM 1392 CD1 TYR A 121 2.614 -14.776 -18.621 1.00 0.00 C ATOM 1393 CD2 TYR A 121 1.715 -16.813 -19.580 1.00 0.00 C ATOM 1394 CE1 TYR A 121 3.853 -15.042 -19.231 1.00 0.00 C ATOM 1395 CE2 TYR A 121 2.951 -17.079 -20.182 1.00 0.00 C ATOM 1396 CZ TYR A 121 4.018 -16.193 -20.008 1.00 0.00 C ATOM 1397 OH TYR A 121 5.235 -16.454 -20.601 1.00 0.00 O ATOM 0 H TYR A 121 -0.407 -14.016 -20.836 1.00 0.00 H new ATOM 0 HA TYR A 121 -1.475 -14.125 -18.207 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.381 -15.189 -17.069 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.389 -16.321 -18.164 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.488 -13.890 -18.016 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.891 -17.497 -19.718 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.678 -14.357 -19.099 1.00 0.00 H new ATOM 0 HE2 TYR A 121 3.080 -17.969 -20.781 1.00 0.00 H new ATOM 0 HH TYR A 121 5.956 -16.119 -20.028 1.00 0.00 H new ATOM 1407 N LEU A 122 0.369 -12.440 -17.522 1.00 0.00 N ATOM 1408 CA LEU A 122 1.121 -11.225 -17.329 1.00 0.00 C ATOM 1409 C LEU A 122 2.137 -11.453 -16.237 1.00 0.00 C ATOM 1410 O LEU A 122 1.791 -11.893 -15.149 1.00 0.00 O ATOM 1411 CB LEU A 122 0.188 -10.086 -16.937 1.00 0.00 C ATOM 1412 CG LEU A 122 1.019 -8.893 -16.472 1.00 0.00 C ATOM 1413 CD1 LEU A 122 2.003 -8.489 -17.570 1.00 0.00 C ATOM 1414 CD2 LEU A 122 0.085 -7.723 -16.170 1.00 0.00 C ATOM 0 H LEU A 122 -0.033 -12.832 -16.670 1.00 0.00 H new ATOM 0 HA LEU A 122 1.625 -10.955 -18.257 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.435 -9.802 -17.785 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.484 -10.408 -16.142 1.00 0.00 H new ATOM 0 HG LEU A 122 1.576 -9.163 -15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.594 -7.637 -17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.666 -9.326 -17.791 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.452 -8.216 -18.470 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.671 -6.866 -15.837 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.468 -7.457 -17.071 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.616 -8.010 -15.386 1.00 0.00 H new ATOM 1426 N GLU A 123 3.386 -11.170 -16.539 1.00 0.00 N ATOM 1427 CA GLU A 123 4.452 -11.366 -15.578 1.00 0.00 C ATOM 1428 C GLU A 123 5.217 -10.072 -15.391 1.00 0.00 C ATOM 1429 O GLU A 123 5.648 -9.458 -16.364 1.00 0.00 O ATOM 1430 CB GLU A 123 5.387 -12.462 -16.093 1.00 0.00 C ATOM 1431 CG GLU A 123 6.525 -12.691 -15.102 1.00 0.00 C ATOM 1432 CD GLU A 123 7.539 -13.650 -15.710 1.00 0.00 C ATOM 1433 OE1 GLU A 123 7.304 -14.098 -16.821 1.00 0.00 O ATOM 1434 OE2 GLU A 123 8.541 -13.916 -15.067 1.00 0.00 O ATOM 0 H GLU A 123 3.689 -10.804 -17.441 1.00 0.00 H new ATOM 0 HA GLU A 123 4.035 -11.666 -14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.830 -13.387 -16.238 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.792 -12.178 -17.064 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.005 -11.744 -14.857 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.134 -13.100 -14.170 1.00 0.00 H new ATOM 1441 N VAL A 124 5.368 -9.647 -14.146 1.00 0.00 N ATOM 1442 CA VAL A 124 6.077 -8.398 -13.881 1.00 0.00 C ATOM 1443 C VAL A 124 7.120 -8.553 -12.784 1.00 0.00 C ATOM 1444 O VAL A 124 6.818 -9.030 -11.690 1.00 0.00 O ATOM 1445 CB VAL A 124 5.084 -7.316 -13.462 1.00 0.00 C ATOM 1446 CG1 VAL A 124 5.836 -6.009 -13.216 1.00 0.00 C ATOM 1447 CG2 VAL A 124 4.047 -7.114 -14.568 1.00 0.00 C ATOM 0 H VAL A 124 5.020 -10.132 -13.319 1.00 0.00 H new ATOM 0 HA VAL A 124 6.587 -8.117 -14.802 1.00 0.00 H new ATOM 0 HB VAL A 124 4.576 -7.621 -12.547 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.130 -5.234 -12.917 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.571 -6.156 -12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.344 -5.704 -14.131 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.340 -6.341 -14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.549 -6.808 -15.486 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.512 -8.048 -14.741 1.00 0.00 H new ATOM 1457 N GLN A 125 8.343 -8.127 -13.085 1.00 0.00 N ATOM 1458 CA GLN A 125 9.429 -8.195 -12.122 1.00 0.00 C ATOM 1459 C GLN A 125 9.789 -6.785 -11.667 1.00 0.00 C ATOM 1460 O GLN A 125 9.924 -5.877 -12.487 1.00 0.00 O ATOM 1461 CB GLN A 125 10.642 -8.865 -12.769 1.00 0.00 C ATOM 1462 CG GLN A 125 10.298 -10.319 -13.103 1.00 0.00 C ATOM 1463 CD GLN A 125 10.298 -10.525 -14.616 1.00 0.00 C ATOM 1464 OE1 GLN A 125 11.065 -9.882 -15.332 1.00 0.00 O ATOM 1465 NE2 GLN A 125 9.481 -11.396 -15.147 1.00 0.00 N ATOM 0 H GLN A 125 8.603 -7.732 -13.989 1.00 0.00 H new ATOM 0 HA GLN A 125 9.119 -8.781 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 125 10.928 -8.330 -13.674 1.00 0.00 H new ATOM 0 HB3 GLN A 125 11.496 -8.827 -12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 125 11.022 -10.988 -12.637 1.00 0.00 H new ATOM 0 HG3 GLN A 125 9.320 -10.573 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 125 8.846 -11.928 -14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 125 9.479 -11.544 -16.156 1.00 0.00 H new ATOM 1474 N TYR A 126 9.910 -6.594 -10.357 1.00 0.00 N ATOM 1475 CA TYR A 126 10.214 -5.268 -9.834 1.00 0.00 C ATOM 1476 C TYR A 126 10.858 -5.310 -8.450 1.00 0.00 C ATOM 1477 O TYR A 126 10.933 -6.361 -7.812 1.00 0.00 O ATOM 1478 CB TYR A 126 8.924 -4.447 -9.782 1.00 0.00 C ATOM 1479 CG TYR A 126 8.002 -4.998 -8.729 1.00 0.00 C ATOM 1480 CD1 TYR A 126 7.160 -6.068 -9.043 1.00 0.00 C ATOM 1481 CD2 TYR A 126 7.977 -4.434 -7.449 1.00 0.00 C ATOM 1482 CE1 TYR A 126 6.288 -6.580 -8.074 1.00 0.00 C ATOM 1483 CE2 TYR A 126 7.108 -4.946 -6.478 1.00 0.00 C ATOM 1484 CZ TYR A 126 6.262 -6.020 -6.793 1.00 0.00 C ATOM 1485 OH TYR A 126 5.404 -6.526 -5.840 1.00 0.00 O ATOM 0 H TYR A 126 9.805 -7.323 -9.652 1.00 0.00 H new ATOM 0 HA TYR A 126 10.940 -4.806 -10.504 1.00 0.00 H new ATOM 0 HB2 TYR A 126 9.156 -3.405 -9.564 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.432 -4.467 -10.754 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.182 -6.500 -10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 126 8.627 -3.605 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 126 5.636 -7.407 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 126 7.089 -4.515 -5.488 1.00 0.00 H new ATOM 0 HH TYR A 126 5.257 -7.481 -6.006 1.00 0.00 H new ATOM 1495 N ASP A 127 11.315 -4.142 -7.995 1.00 0.00 N ATOM 1496 CA ASP A 127 11.945 -4.022 -6.684 1.00 0.00 C ATOM 1497 C ASP A 127 11.305 -2.875 -5.906 1.00 0.00 C ATOM 1498 O ASP A 127 10.646 -2.015 -6.485 1.00 0.00 O ATOM 1499 CB ASP A 127 13.447 -3.767 -6.839 1.00 0.00 C ATOM 1500 CG ASP A 127 14.112 -4.973 -7.489 1.00 0.00 C ATOM 1501 OD1 ASP A 127 13.435 -5.973 -7.657 1.00 0.00 O ATOM 1502 OD2 ASP A 127 15.282 -4.875 -7.818 1.00 0.00 O ATOM 0 H ASP A 127 11.259 -3.267 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 127 11.800 -4.954 -6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.613 -2.877 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.895 -3.575 -5.864 1.00 0.00 H new ATOM 1507 N CYS A 128 11.480 -2.874 -4.589 1.00 0.00 N ATOM 1508 CA CYS A 128 10.886 -1.825 -3.759 1.00 0.00 C ATOM 1509 C CYS A 128 11.956 -0.934 -3.122 1.00 0.00 C ATOM 1510 O CYS A 128 12.847 -1.414 -2.421 1.00 0.00 O ATOM 1511 CB CYS A 128 10.029 -2.461 -2.663 1.00 0.00 C ATOM 1512 SG CYS A 128 8.675 -3.403 -3.413 1.00 0.00 S ATOM 0 H CYS A 128 12.018 -3.573 -4.077 1.00 0.00 H new ATOM 0 HA CYS A 128 10.267 -1.199 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 128 10.641 -3.117 -2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 128 9.627 -1.688 -2.008 1.00 0.00 H new ATOM 1517 N VAL A 129 11.843 0.374 -3.359 1.00 0.00 N ATOM 1518 CA VAL A 129 12.788 1.341 -2.795 1.00 0.00 C ATOM 1519 C VAL A 129 12.040 2.386 -1.965 1.00 0.00 C ATOM 1520 O VAL A 129 10.850 2.608 -2.180 1.00 0.00 O ATOM 1521 CB VAL A 129 13.553 2.049 -3.917 1.00 0.00 C ATOM 1522 CG1 VAL A 129 14.647 1.131 -4.458 1.00 0.00 C ATOM 1523 CG2 VAL A 129 12.583 2.409 -5.047 1.00 0.00 C ATOM 0 H VAL A 129 11.110 0.787 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 129 13.491 0.804 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 129 14.009 2.957 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 129 15.188 1.640 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 129 15.339 0.877 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 129 14.196 0.219 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 129 13.126 2.913 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 129 12.125 1.500 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 129 11.806 3.071 -4.663 1.00 0.00 H new ATOM 1533 N PRO A 130 12.703 3.039 -1.041 1.00 0.00 N ATOM 1534 CA PRO A 130 12.053 4.088 -0.207 1.00 0.00 C ATOM 1535 C PRO A 130 11.403 5.163 -1.076 1.00 0.00 C ATOM 1536 O PRO A 130 11.951 5.560 -2.104 1.00 0.00 O ATOM 1537 CB PRO A 130 13.186 4.689 0.624 1.00 0.00 C ATOM 1538 CG PRO A 130 14.339 3.741 0.530 1.00 0.00 C ATOM 1539 CD PRO A 130 14.118 2.843 -0.689 1.00 0.00 C ATOM 0 HA PRO A 130 11.257 3.673 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 130 13.463 5.673 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 130 12.877 4.821 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 130 15.276 4.290 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 130 14.413 3.141 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 130 14.774 3.124 -1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 130 14.328 1.799 -0.456 1.00 0.00 H new ATOM 1547 N TYR A 131 10.235 5.628 -0.655 1.00 0.00 N ATOM 1548 CA TYR A 131 9.515 6.654 -1.407 1.00 0.00 C ATOM 1549 C TYR A 131 10.222 8.008 -1.268 1.00 0.00 C ATOM 1550 O TYR A 131 11.009 8.389 -2.135 1.00 0.00 O ATOM 1551 CB TYR A 131 8.070 6.749 -0.897 1.00 0.00 C ATOM 1552 CG TYR A 131 7.154 7.358 -1.947 1.00 0.00 C ATOM 1553 CD1 TYR A 131 7.666 8.119 -3.013 1.00 0.00 C ATOM 1554 CD2 TYR A 131 5.772 7.153 -1.844 1.00 0.00 C ATOM 1555 CE1 TYR A 131 6.796 8.666 -3.964 1.00 0.00 C ATOM 1556 CE2 TYR A 131 4.904 7.702 -2.797 1.00 0.00 C ATOM 1557 CZ TYR A 131 5.416 8.458 -3.857 1.00 0.00 C ATOM 1558 OH TYR A 131 4.560 9.000 -4.795 1.00 0.00 O ATOM 0 H TYR A 131 9.766 5.316 0.196 1.00 0.00 H new ATOM 0 HA TYR A 131 9.501 6.381 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 131 7.710 5.756 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 131 8.041 7.354 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 131 8.730 8.282 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 131 5.374 6.570 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.191 9.250 -4.782 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.839 7.542 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 131 3.636 8.759 -4.573 1.00 0.00 H new ATOM 1568 N LYS A 132 9.947 8.728 -0.181 1.00 0.00 N ATOM 1569 CA LYS A 132 10.578 10.031 0.038 1.00 0.00 C ATOM 1570 C LYS A 132 11.696 9.934 1.078 1.00 0.00 C ATOM 1571 O LYS A 132 11.506 9.363 2.151 1.00 0.00 O ATOM 1572 CB LYS A 132 9.532 11.053 0.503 1.00 0.00 C ATOM 1573 CG LYS A 132 8.543 11.345 -0.631 1.00 0.00 C ATOM 1574 CD LYS A 132 7.579 12.455 -0.187 1.00 0.00 C ATOM 1575 CE LYS A 132 6.470 12.649 -1.230 1.00 0.00 C ATOM 1576 NZ LYS A 132 6.918 12.143 -2.558 1.00 0.00 N ATOM 0 H LYS A 132 9.301 8.438 0.553 1.00 0.00 H new ATOM 0 HA LYS A 132 11.011 10.357 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.998 10.669 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.025 11.975 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.080 11.651 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 132 7.986 10.443 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 132 7.140 12.200 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.126 13.388 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.569 12.121 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.211 13.705 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.226 12.415 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.845 12.553 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 6.997 11.106 -2.526 1.00 0.00 H new ATOM 1590 N VAL A 133 12.858 10.505 0.756 1.00 0.00 N ATOM 1591 CA VAL A 133 13.997 10.480 1.675 1.00 0.00 C ATOM 1592 C VAL A 133 14.030 11.749 2.539 1.00 0.00 C ATOM 1593 O VAL A 133 13.874 12.859 2.033 1.00 0.00 O ATOM 1594 CB VAL A 133 15.301 10.353 0.877 1.00 0.00 C ATOM 1595 CG1 VAL A 133 15.487 11.583 -0.013 1.00 0.00 C ATOM 1596 CG2 VAL A 133 16.486 10.241 1.839 1.00 0.00 C ATOM 0 H VAL A 133 13.035 10.986 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 133 13.891 9.620 2.337 1.00 0.00 H new ATOM 0 HB VAL A 133 15.251 9.460 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 133 16.415 11.487 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 133 14.648 11.662 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 133 15.531 12.478 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 133 17.410 10.151 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 133 16.531 11.132 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 133 16.361 9.360 2.469 1.00 0.00 H new ATOM 1606 N GLU A 134 14.226 11.564 3.847 1.00 0.00 N ATOM 1607 CA GLU A 134 14.275 12.685 4.793 1.00 0.00 C ATOM 1608 C GLU A 134 12.904 13.341 4.927 1.00 0.00 C ATOM 1609 O GLU A 134 12.417 13.427 6.043 1.00 0.00 O ATOM 1610 CB GLU A 134 15.295 13.733 4.335 1.00 0.00 C ATOM 1611 CG GLU A 134 15.415 14.837 5.393 1.00 0.00 C ATOM 1612 CD GLU A 134 16.271 14.358 6.561 1.00 0.00 C ATOM 1613 OE1 GLU A 134 17.015 13.409 6.375 1.00 0.00 O ATOM 1614 OE2 GLU A 134 16.178 14.954 7.621 1.00 0.00 O ATOM 1615 OXT GLU A 134 12.364 13.753 3.913 1.00 0.00 O ATOM 0 H GLU A 134 14.354 10.648 4.277 1.00 0.00 H new ATOM 0 HA GLU A 134 14.577 12.288 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 134 16.265 13.264 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 134 14.987 14.162 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 134 15.858 15.729 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 134 14.424 15.118 5.750 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 9.680 8.117 -9.730 1.00 0.00 C HETATM 1624 C2 NAG A 135 9.593 8.578 -11.160 1.00 0.00 C HETATM 1625 C3 NAG A 135 10.976 8.895 -11.672 1.00 0.00 C HETATM 1626 C4 NAG A 135 11.611 9.953 -10.806 1.00 0.00 C HETATM 1627 C5 NAG A 135 11.584 9.517 -9.351 1.00 0.00 C HETATM 1628 C6 NAG A 135 12.026 10.634 -8.411 1.00 0.00 C HETATM 1629 C7 NAG A 135 8.545 7.851 -13.209 1.00 0.00 C HETATM 1630 C8 NAG A 135 7.909 6.757 -14.026 1.00 0.00 C HETATM 1631 N2 NAG A 135 8.972 7.537 -11.992 1.00 0.00 N HETATM 1632 O3 NAG A 135 10.894 9.354 -13.031 1.00 0.00 O HETATM 1633 O4 NAG A 135 12.970 10.165 -11.220 1.00 0.00 O HETATM 1634 O5 NAG A 135 10.251 9.134 -8.946 1.00 0.00 O HETATM 1635 O6 NAG A 135 11.754 11.923 -8.980 1.00 0.00 O HETATM 1636 O7 NAG A 135 8.649 8.984 -13.677 1.00 0.00 O HETATM 0 HO6 NAG A 135 12.045 12.623 -8.359 1.00 0.00 H new HETATM 0 HO4 NAG A 135 13.277 11.038 -10.899 1.00 0.00 H new HETATM 0 HO3 NAG A 135 9.997 9.710 -13.203 1.00 0.00 H new HETATM 0 HN2 NAG A 135 8.871 6.586 -11.639 1.00 0.00 H new HETATM 0 H83 NAG A 135 8.625 5.948 -14.172 1.00 0.00 H new HETATM 0 H82 NAG A 135 7.032 6.375 -13.503 1.00 0.00 H new HETATM 0 H81 NAG A 135 7.608 7.155 -14.995 1.00 0.00 H new HETATM 0 H62 NAG A 135 11.508 10.537 -7.457 1.00 0.00 H new HETATM 0 H61 NAG A 135 13.092 10.541 -8.206 1.00 0.00 H new HETATM 0 H5 NAG A 135 12.271 8.674 -9.283 1.00 0.00 H new HETATM 0 H4 NAG A 135 11.051 10.882 -10.911 1.00 0.00 H new HETATM 0 H3 NAG A 135 11.589 7.995 -11.636 1.00 0.00 H new HETATM 0 H2 NAG A 135 8.977 9.476 -11.210 1.00 0.00 H new HETATM 1651 C1 RAM A 136 -9.972 -14.599 -25.990 1.00 0.00 C HETATM 1652 C2 RAM A 136 -8.815 -13.599 -26.216 1.00 0.00 C HETATM 1653 C3 RAM A 136 -7.868 -13.691 -25.000 1.00 0.00 C HETATM 1654 C4 RAM A 136 -7.338 -15.130 -24.884 1.00 0.00 C HETATM 1655 C5 RAM A 136 -8.543 -16.083 -24.708 1.00 0.00 C HETATM 1656 C6 RAM A 136 -8.050 -17.530 -24.605 1.00 0.00 C HETATM 1657 O1 RAM A 136 -10.691 -14.239 -24.807 1.00 0.00 O HETATM 1658 O2 RAM A 136 -8.104 -13.952 -27.402 1.00 0.00 O HETATM 1659 O3 RAM A 136 -6.775 -12.781 -25.171 1.00 0.00 O HETATM 1660 O4 RAM A 136 -6.464 -15.242 -23.757 1.00 0.00 O HETATM 1661 O5 RAM A 136 -9.453 -15.960 -25.847 1.00 0.00 O HETATM 0 HO4 RAM A 136 -5.943 -14.417 -23.664 1.00 0.00 H new HETATM 0 HO3 RAM A 136 -6.875 -12.029 -24.550 1.00 0.00 H new HETATM 0 HO2 RAM A 136 -8.397 -13.380 -28.142 1.00 0.00 H new HETATM 0 HO1 RAM A 136 -11.425 -14.873 -24.665 1.00 0.00 H new HETATM 0 H63 RAM A 136 -7.510 -17.796 -25.514 1.00 0.00 H new HETATM 0 H62 RAM A 136 -7.385 -17.628 -23.747 1.00 0.00 H new HETATM 0 H61 RAM A 136 -8.903 -18.197 -24.481 1.00 0.00 H new HETATM 0 H5 RAM A 136 -9.073 -15.813 -23.795 1.00 0.00 H new HETATM 0 H4 RAM A 136 -6.780 -15.392 -25.783 1.00 0.00 H new HETATM 0 H3 RAM A 136 -8.408 -13.428 -24.091 1.00 0.00 H new HETATM 0 H2 RAM A 136 -9.201 -12.585 -26.325 1.00 0.00 H new HETATM 0 H1 RAM A 136 -10.637 -14.564 -26.853 1.00 0.00 H new