USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot 170:sc= -0.0666 USER MOD Set 1.2: A 57 MET CE :methyl 167:sc= -3.04! (180deg=-3.48!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0323 X(o=1.2,f=1.1) USER MOD Set 2.2: A 50 SER OG : rot -166:sc= 1.21 USER MOD Set 3.1: A 48 ASN : amide:sc= -1.18! C(o=-1.2!,f=-2.6!) USER MOD Set 3.2: A 55 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 4.1: A 33 GLN : amide:sc= -0.375 K(o=0.91,f=-5.4!) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0092 X(o=-0.0092,f=-0.068) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.152 K(o=0.15,f=-9.1!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.06 F(o=-5.7!,f=-1.1) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 THR OG1 : rot -101:sc= 1.08 USER MOD Single : A 43 CYS SG : rot -144:sc= 0.972 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.605 K(o=-0.6,f=-4.5!) USER MOD Single : A 54 SER OG : rot 170:sc= 0.972 USER MOD Single : A 60 THR OG1 : rot -123:sc= 1.03 USER MOD Single : A 64 GLN : amide:sc=-0.00135 K(o=-0.0013,f=-0.93) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 2.41 (180deg=0.841) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.542 USER MOD Single : A 70 MET CE :methyl -111:sc= -2.12 (180deg=-5.27!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0.479) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -164:sc= -2.84! (180deg=-4.23!) USER MOD Single : A 87 TYR OH : rot 150:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 93 TYR OH : rot 3:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 12.026 -3.537 -7.982 1.00 0.00 N ATOM 47 CA VAL A 22 13.302 -3.332 -7.301 1.00 0.00 C ATOM 48 C VAL A 22 13.067 -3.021 -5.820 1.00 0.00 C ATOM 49 O VAL A 22 13.820 -2.292 -5.168 1.00 0.00 O ATOM 50 CB VAL A 22 14.076 -2.177 -7.979 1.00 0.00 C ATOM 51 CG1 VAL A 22 13.350 -0.851 -7.783 1.00 0.00 C ATOM 52 CG2 VAL A 22 15.506 -2.097 -7.466 1.00 0.00 C ATOM 0 HA VAL A 22 13.895 -4.244 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 22 14.119 -2.385 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.912 -0.053 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.355 -0.913 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.263 -0.638 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.025 -1.276 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.497 -1.925 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.022 -3.033 -7.679 1.00 0.00 H new ATOM 62 N LEU A 23 12.007 -3.592 -5.293 1.00 0.00 N ATOM 63 CA LEU A 23 11.587 -3.301 -3.935 1.00 0.00 C ATOM 64 C LEU A 23 12.511 -3.986 -2.934 1.00 0.00 C ATOM 65 O LEU A 23 12.394 -5.185 -2.678 1.00 0.00 O ATOM 66 CB LEU A 23 10.133 -3.731 -3.721 1.00 0.00 C ATOM 67 CG LEU A 23 9.149 -3.302 -4.822 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.719 -3.372 -4.318 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.464 -1.903 -5.336 1.00 0.00 C ATOM 0 H LEU A 23 11.416 -4.263 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 23 11.650 -2.225 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.102 -4.817 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.788 -3.324 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 23 9.261 -3.997 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.038 -3.065 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.489 -4.394 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.602 -2.707 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.749 -1.631 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.396 -1.190 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.473 -1.886 -5.749 1.00 0.00 H new ATOM 81 N GLN A 24 13.442 -3.215 -2.391 1.00 0.00 N ATOM 82 CA GLN A 24 14.442 -3.734 -1.472 1.00 0.00 C ATOM 83 C GLN A 24 14.072 -3.426 -0.028 1.00 0.00 C ATOM 84 O GLN A 24 14.308 -2.320 0.461 1.00 0.00 O ATOM 85 CB GLN A 24 15.809 -3.128 -1.795 1.00 0.00 C ATOM 86 CG GLN A 24 16.397 -3.617 -3.105 1.00 0.00 C ATOM 87 CD GLN A 24 16.911 -5.037 -3.011 1.00 0.00 C ATOM 88 OE1 GLN A 24 16.176 -5.999 -3.244 1.00 0.00 O ATOM 89 NE2 GLN A 24 18.182 -5.180 -2.671 1.00 0.00 N ATOM 0 H GLN A 24 13.525 -2.215 -2.575 1.00 0.00 H new ATOM 0 HA GLN A 24 14.484 -4.817 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.716 -2.043 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.501 -3.362 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.638 -3.559 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 24 17.212 -2.957 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 24 18.756 -4.357 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.587 -6.113 -2.593 1.00 0.00 H new ATOM 98 N PHE A 25 13.484 -4.396 0.652 1.00 0.00 N ATOM 99 CA PHE A 25 13.184 -4.243 2.065 1.00 0.00 C ATOM 100 C PHE A 25 14.375 -4.698 2.889 1.00 0.00 C ATOM 101 O PHE A 25 14.858 -5.824 2.750 1.00 0.00 O ATOM 102 CB PHE A 25 11.928 -5.029 2.456 1.00 0.00 C ATOM 103 CG PHE A 25 10.720 -4.660 1.639 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.993 -3.518 1.930 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.306 -5.464 0.589 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.877 -3.181 1.190 1.00 0.00 C ATOM 107 CE2 PHE A 25 9.190 -5.131 -0.155 1.00 0.00 C ATOM 108 CZ PHE A 25 8.504 -3.970 0.111 1.00 0.00 C ATOM 0 H PHE A 25 13.207 -5.292 0.251 1.00 0.00 H new ATOM 0 HA PHE A 25 12.987 -3.190 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.124 -6.095 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.712 -4.856 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.303 -2.883 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.861 -6.359 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.297 -2.308 1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.856 -5.785 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.678 -3.673 -0.518 1.00 0.00 H new ATOM 118 N LYS A 26 14.831 -3.779 3.733 1.00 0.00 N ATOM 119 CA LYS A 26 15.993 -3.956 4.595 1.00 0.00 C ATOM 120 C LYS A 26 15.962 -5.295 5.322 1.00 0.00 C ATOM 121 O LYS A 26 16.992 -5.941 5.518 1.00 0.00 O ATOM 122 CB LYS A 26 16.013 -2.799 5.606 1.00 0.00 C ATOM 123 CG LYS A 26 16.304 -3.217 7.037 1.00 0.00 C ATOM 124 CD LYS A 26 15.276 -2.639 7.996 1.00 0.00 C ATOM 125 CE LYS A 26 15.524 -1.164 8.265 1.00 0.00 C ATOM 126 NZ LYS A 26 14.590 -0.625 9.289 1.00 0.00 N ATOM 0 H LYS A 26 14.390 -2.865 3.839 1.00 0.00 H new ATOM 0 HA LYS A 26 16.896 -3.951 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.764 -2.073 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.048 -2.292 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.302 -4.305 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.301 -2.881 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.277 -2.770 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.305 -3.190 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.552 -1.023 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.411 -0.601 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.790 0.384 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.610 -0.736 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.715 -1.145 10.181 1.00 0.00 H new ATOM 140 N ASP A 27 14.767 -5.695 5.702 1.00 0.00 N ATOM 141 CA ASP A 27 14.547 -6.913 6.450 1.00 0.00 C ATOM 142 C ASP A 27 13.054 -7.170 6.436 1.00 0.00 C ATOM 143 O ASP A 27 12.328 -6.454 5.737 1.00 0.00 O ATOM 144 CB ASP A 27 15.049 -6.749 7.890 1.00 0.00 C ATOM 145 CG ASP A 27 15.510 -8.050 8.515 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.983 -9.118 8.147 1.00 0.00 O ATOM 147 OD2 ASP A 27 16.406 -8.006 9.390 1.00 0.00 O ATOM 0 H ASP A 27 13.912 -5.177 5.498 1.00 0.00 H new ATOM 0 HA ASP A 27 15.090 -7.749 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.874 -6.036 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.252 -6.324 8.499 1.00 0.00 H new ATOM 152 N GLU A 28 12.572 -8.130 7.203 1.00 0.00 N ATOM 153 CA GLU A 28 11.135 -8.342 7.278 1.00 0.00 C ATOM 154 C GLU A 28 10.490 -7.124 7.939 1.00 0.00 C ATOM 155 O GLU A 28 9.323 -6.831 7.712 1.00 0.00 O ATOM 156 CB GLU A 28 10.773 -9.636 8.032 1.00 0.00 C ATOM 157 CG GLU A 28 10.829 -9.537 9.551 1.00 0.00 C ATOM 158 CD GLU A 28 12.237 -9.435 10.087 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.750 -8.306 10.206 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.833 -10.485 10.400 1.00 0.00 O ATOM 0 H GLU A 28 13.136 -8.762 7.771 1.00 0.00 H new ATOM 0 HA GLU A 28 10.750 -8.462 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.767 -9.939 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.450 -10.427 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.260 -8.665 9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.344 -10.412 9.984 1.00 0.00 H new ATOM 167 N ALA A 29 11.291 -6.404 8.725 1.00 0.00 N ATOM 168 CA ALA A 29 10.850 -5.193 9.406 1.00 0.00 C ATOM 169 C ALA A 29 10.338 -4.143 8.426 1.00 0.00 C ATOM 170 O ALA A 29 9.266 -3.574 8.628 1.00 0.00 O ATOM 171 CB ALA A 29 11.979 -4.605 10.239 1.00 0.00 C ATOM 0 H ALA A 29 12.265 -6.647 8.906 1.00 0.00 H new ATOM 0 HA ALA A 29 10.026 -5.477 10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.630 -3.702 10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.298 -5.333 10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.820 -4.358 9.590 1.00 0.00 H new ATOM 177 N GLN A 30 11.095 -3.887 7.361 1.00 0.00 N ATOM 178 CA GLN A 30 10.670 -2.904 6.373 1.00 0.00 C ATOM 179 C GLN A 30 9.423 -3.407 5.674 1.00 0.00 C ATOM 180 O GLN A 30 8.548 -2.638 5.279 1.00 0.00 O ATOM 181 CB GLN A 30 11.753 -2.630 5.329 1.00 0.00 C ATOM 182 CG GLN A 30 11.501 -1.327 4.591 1.00 0.00 C ATOM 183 CD GLN A 30 12.561 -0.989 3.567 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.730 -1.332 3.725 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.158 -0.309 2.505 1.00 0.00 N ATOM 0 H GLN A 30 11.988 -4.338 7.164 1.00 0.00 H new ATOM 0 HA GLN A 30 10.470 -1.970 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.727 -2.590 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.787 -3.453 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.533 -1.384 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.439 -0.516 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.178 -0.043 2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.828 -0.051 1.780 1.00 0.00 H new ATOM 194 N GLU A 31 9.357 -4.718 5.550 1.00 0.00 N ATOM 195 CA GLU A 31 8.231 -5.379 4.925 1.00 0.00 C ATOM 196 C GLU A 31 7.021 -5.401 5.877 1.00 0.00 C ATOM 197 O GLU A 31 5.889 -5.607 5.450 1.00 0.00 O ATOM 198 CB GLU A 31 8.665 -6.785 4.501 1.00 0.00 C ATOM 199 CG GLU A 31 7.575 -7.625 3.859 1.00 0.00 C ATOM 200 CD GLU A 31 8.043 -9.031 3.555 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.573 -9.252 2.449 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.883 -9.921 4.417 1.00 0.00 O ATOM 0 H GLU A 31 10.083 -5.354 5.880 1.00 0.00 H new ATOM 0 HA GLU A 31 7.915 -4.832 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.496 -6.697 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.041 -7.313 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.712 -7.667 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.245 -7.146 2.937 1.00 0.00 H new ATOM 209 N GLN A 32 7.265 -5.167 7.168 1.00 0.00 N ATOM 210 CA GLN A 32 6.184 -5.011 8.141 1.00 0.00 C ATOM 211 C GLN A 32 5.524 -3.652 7.952 1.00 0.00 C ATOM 212 O GLN A 32 4.312 -3.509 8.099 1.00 0.00 O ATOM 213 CB GLN A 32 6.706 -5.114 9.577 1.00 0.00 C ATOM 214 CG GLN A 32 7.356 -6.443 9.917 1.00 0.00 C ATOM 215 CD GLN A 32 7.657 -6.581 11.397 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.860 -6.202 11.802 1.00 0.00 O flip ATOM 217 NE2 GLN A 32 6.817 -7.037 12.170 1.00 0.00 N flip ATOM 0 H GLN A 32 8.202 -5.082 7.563 1.00 0.00 H new ATOM 0 HA GLN A 32 5.464 -5.812 7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.430 -4.316 9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.878 -4.943 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.699 -7.255 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.281 -6.547 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.901 -7.318 11.820 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.036 -7.134 13.161 1.00 0.00 H new ATOM 226 N GLN A 33 6.338 -2.649 7.638 1.00 0.00 N ATOM 227 CA GLN A 33 5.817 -1.346 7.250 1.00 0.00 C ATOM 228 C GLN A 33 4.950 -1.512 6.016 1.00 0.00 C ATOM 229 O GLN A 33 3.863 -0.949 5.917 1.00 0.00 O ATOM 230 CB GLN A 33 6.956 -0.370 6.953 1.00 0.00 C ATOM 231 CG GLN A 33 6.474 0.972 6.433 1.00 0.00 C ATOM 232 CD GLN A 33 7.611 1.920 6.101 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.467 3.138 6.205 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.744 1.376 5.689 1.00 0.00 N ATOM 0 H GLN A 33 7.356 -2.714 7.645 1.00 0.00 H new ATOM 0 HA GLN A 33 5.228 -0.940 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.537 -0.213 7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.627 -0.817 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.868 0.814 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.828 1.435 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.826 0.362 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.536 1.971 5.445 1.00 0.00 H new ATOM 243 N PHE A 34 5.448 -2.320 5.092 1.00 0.00 N ATOM 244 CA PHE A 34 4.715 -2.675 3.889 1.00 0.00 C ATOM 245 C PHE A 34 3.391 -3.328 4.263 1.00 0.00 C ATOM 246 O PHE A 34 2.367 -3.053 3.650 1.00 0.00 O ATOM 247 CB PHE A 34 5.575 -3.618 3.041 1.00 0.00 C ATOM 248 CG PHE A 34 4.952 -4.054 1.746 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.987 -3.228 0.636 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.315 -5.281 1.647 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.400 -3.615 -0.552 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.727 -5.674 0.461 1.00 0.00 C ATOM 253 CZ PHE A 34 3.835 -4.883 -0.656 1.00 0.00 C ATOM 0 H PHE A 34 6.372 -2.747 5.156 1.00 0.00 H new ATOM 0 HA PHE A 34 4.495 -1.780 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.522 -3.124 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.806 -4.504 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.480 -2.269 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.278 -5.936 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.379 -2.939 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.181 -6.605 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.483 -5.243 -1.611 1.00 0.00 H new ATOM 263 N ARG A 35 3.419 -4.167 5.294 1.00 0.00 N ATOM 264 CA ARG A 35 2.212 -4.820 5.791 1.00 0.00 C ATOM 265 C ARG A 35 1.139 -3.797 6.152 1.00 0.00 C ATOM 266 O ARG A 35 0.014 -3.881 5.680 1.00 0.00 O ATOM 267 CB ARG A 35 2.539 -5.667 7.025 1.00 0.00 C ATOM 268 CG ARG A 35 2.558 -7.163 6.774 1.00 0.00 C ATOM 269 CD ARG A 35 3.511 -7.538 5.661 1.00 0.00 C ATOM 270 NE ARG A 35 2.959 -8.581 4.797 1.00 0.00 N ATOM 271 CZ ARG A 35 3.682 -9.559 4.256 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.971 -9.672 4.546 1.00 0.00 N ATOM 273 NH2 ARG A 35 3.114 -10.434 3.438 1.00 0.00 N ATOM 0 H ARG A 35 4.268 -4.412 5.804 1.00 0.00 H new ATOM 0 HA ARG A 35 1.830 -5.460 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.512 -5.364 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.807 -5.451 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.847 -7.681 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.553 -7.501 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.737 -6.655 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.452 -7.882 6.090 1.00 0.00 H new ATOM 0 HE ARG A 35 1.959 -8.558 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.410 -9.009 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.523 -10.422 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.120 -10.359 3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.671 -11.182 3.025 1.00 0.00 H new ATOM 287 N GLN A 36 1.506 -2.804 6.951 1.00 0.00 N ATOM 288 CA GLN A 36 0.537 -1.824 7.430 1.00 0.00 C ATOM 289 C GLN A 36 0.093 -0.897 6.311 1.00 0.00 C ATOM 290 O GLN A 36 -1.098 -0.614 6.161 1.00 0.00 O ATOM 291 CB GLN A 36 1.131 -0.986 8.566 1.00 0.00 C ATOM 292 CG GLN A 36 1.746 -1.797 9.698 1.00 0.00 C ATOM 293 CD GLN A 36 2.324 -0.914 10.790 1.00 0.00 C ATOM 294 OE1 GLN A 36 1.691 0.226 11.027 1.00 0.00 O flip ATOM 295 NE2 GLN A 36 3.318 -1.259 11.428 1.00 0.00 N flip ATOM 0 H GLN A 36 2.460 -2.655 7.280 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.328 -2.377 7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.894 -0.327 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.348 -0.349 8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.988 -2.452 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.532 -2.438 9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.778 -2.144 11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.682 -0.660 12.169 1.00 0.00 H new ATOM 304 N LEU A 37 1.051 -0.455 5.511 1.00 0.00 N ATOM 305 CA LEU A 37 0.792 0.540 4.490 1.00 0.00 C ATOM 306 C LEU A 37 -0.102 -0.030 3.395 1.00 0.00 C ATOM 307 O LEU A 37 -0.783 0.709 2.689 1.00 0.00 O ATOM 308 CB LEU A 37 2.109 1.055 3.904 1.00 0.00 C ATOM 309 CG LEU A 37 3.035 1.757 4.897 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.289 2.252 4.197 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.318 2.908 5.583 1.00 0.00 C ATOM 0 H LEU A 37 2.019 -0.774 5.552 1.00 0.00 H new ATOM 0 HA LEU A 37 0.268 1.378 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.645 0.214 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.881 1.747 3.093 1.00 0.00 H new ATOM 0 HG LEU A 37 3.327 1.035 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.937 2.749 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.818 1.407 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.014 2.956 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.996 3.393 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.992 3.631 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.450 2.527 6.121 1.00 0.00 H new ATOM 323 N THR A 38 -0.099 -1.348 3.264 1.00 0.00 N ATOM 324 CA THR A 38 -0.887 -1.995 2.238 1.00 0.00 C ATOM 325 C THR A 38 -2.203 -2.544 2.793 1.00 0.00 C ATOM 326 O THR A 38 -3.114 -2.859 2.026 1.00 0.00 O ATOM 327 CB THR A 38 -0.095 -3.131 1.559 1.00 0.00 C ATOM 328 OG1 THR A 38 0.261 -4.126 2.525 1.00 0.00 O ATOM 329 CG2 THR A 38 1.169 -2.599 0.901 1.00 0.00 C ATOM 0 H THR A 38 0.438 -1.983 3.854 1.00 0.00 H new ATOM 0 HA THR A 38 -1.120 -1.233 1.495 1.00 0.00 H new ATOM 0 HB THR A 38 -0.732 -3.571 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.197 -4.005 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.708 -3.421 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.902 -1.860 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.804 -2.134 1.655 1.00 0.00 H new ATOM 337 N GLU A 39 -2.316 -2.665 4.119 1.00 0.00 N ATOM 338 CA GLU A 39 -3.533 -3.219 4.709 1.00 0.00 C ATOM 339 C GLU A 39 -4.494 -2.132 5.182 1.00 0.00 C ATOM 340 O GLU A 39 -5.709 -2.291 5.065 1.00 0.00 O ATOM 341 CB GLU A 39 -3.205 -4.174 5.858 1.00 0.00 C ATOM 342 CG GLU A 39 -2.500 -5.440 5.398 1.00 0.00 C ATOM 343 CD GLU A 39 -2.224 -6.408 6.526 1.00 0.00 C ATOM 344 OE1 GLU A 39 -1.935 -5.946 7.648 1.00 0.00 O ATOM 345 OE2 GLU A 39 -2.309 -7.633 6.305 1.00 0.00 O ATOM 0 H GLU A 39 -1.597 -2.393 4.789 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.034 -3.780 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.576 -3.658 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.127 -4.445 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.111 -5.935 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.558 -5.171 4.919 1.00 0.00 H new ATOM 352 N GLU A 40 -3.964 -1.028 5.699 1.00 0.00 N ATOM 353 CA GLU A 40 -4.821 0.042 6.213 1.00 0.00 C ATOM 354 C GLU A 40 -5.398 0.867 5.058 1.00 0.00 C ATOM 355 O GLU A 40 -6.364 1.613 5.226 1.00 0.00 O ATOM 356 CB GLU A 40 -4.050 0.946 7.183 1.00 0.00 C ATOM 357 CG GLU A 40 -4.961 1.787 8.070 1.00 0.00 C ATOM 358 CD GLU A 40 -4.209 2.675 9.042 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.122 2.275 9.515 1.00 0.00 O ATOM 360 OE2 GLU A 40 -4.718 3.772 9.365 1.00 0.00 O ATOM 0 H GLU A 40 -2.963 -0.849 5.774 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.644 -0.417 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.408 0.329 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.397 1.607 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.596 2.409 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.620 1.125 8.631 1.00 0.00 H new ATOM 367 N LEU A 41 -4.800 0.720 3.882 1.00 0.00 N ATOM 368 CA LEU A 41 -5.290 1.390 2.686 1.00 0.00 C ATOM 369 C LEU A 41 -6.446 0.606 2.076 1.00 0.00 C ATOM 370 O LEU A 41 -6.339 -0.601 1.853 1.00 0.00 O ATOM 371 CB LEU A 41 -4.156 1.561 1.665 1.00 0.00 C ATOM 372 CG LEU A 41 -4.591 2.000 0.264 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.444 3.256 0.328 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.376 2.220 -0.619 1.00 0.00 C ATOM 0 H LEU A 41 -3.973 0.141 3.732 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.653 2.379 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.449 2.294 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.621 0.615 1.581 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.198 1.206 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.740 3.547 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.335 3.061 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.870 4.063 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.700 2.532 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.745 2.995 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.810 1.292 -0.697 1.00 0.00 H new ATOM 386 N ARG A 42 -7.547 1.295 1.800 1.00 0.00 N ATOM 387 CA ARG A 42 -8.721 0.641 1.254 1.00 0.00 C ATOM 388 C ARG A 42 -8.702 0.658 -0.265 1.00 0.00 C ATOM 389 O ARG A 42 -8.307 1.643 -0.892 1.00 0.00 O ATOM 390 CB ARG A 42 -10.021 1.305 1.727 1.00 0.00 C ATOM 391 CG ARG A 42 -11.047 0.315 2.251 1.00 0.00 C ATOM 392 CD ARG A 42 -12.463 0.740 1.907 1.00 0.00 C ATOM 393 NE ARG A 42 -13.456 -0.093 2.583 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.611 -0.476 2.040 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.915 -0.123 0.798 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.463 -1.212 2.743 1.00 0.00 N ATOM 0 H ARG A 42 -7.648 2.300 1.945 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.692 -0.387 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.788 2.025 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.457 1.865 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.850 -0.671 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.947 0.225 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.609 1.782 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.610 0.679 0.829 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.251 -0.402 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.264 0.444 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.800 -0.418 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.234 -1.484 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.347 -1.505 2.327 1.00 0.00 H new ATOM 410 N CYS A 43 -9.136 -0.442 -0.844 1.00 0.00 N ATOM 411 CA CYS A 43 -9.358 -0.520 -2.271 1.00 0.00 C ATOM 412 C CYS A 43 -10.848 -0.717 -2.521 1.00 0.00 C ATOM 413 O CYS A 43 -11.551 -1.258 -1.663 1.00 0.00 O ATOM 414 CB CYS A 43 -8.557 -1.680 -2.868 1.00 0.00 C ATOM 415 SG CYS A 43 -8.944 -3.290 -2.145 1.00 0.00 S ATOM 0 H CYS A 43 -9.344 -1.304 -0.340 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.025 0.401 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.742 -1.721 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.494 -1.480 -2.735 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.860 -4.003 -2.069 1.00 0.00 H new ATOM 421 N PRO A 44 -11.364 -0.242 -3.663 1.00 0.00 N ATOM 422 CA PRO A 44 -12.761 -0.459 -4.047 1.00 0.00 C ATOM 423 C PRO A 44 -12.995 -1.899 -4.497 1.00 0.00 C ATOM 424 O PRO A 44 -13.367 -2.155 -5.645 1.00 0.00 O ATOM 425 CB PRO A 44 -12.981 0.519 -5.214 1.00 0.00 C ATOM 426 CG PRO A 44 -11.761 1.382 -5.256 1.00 0.00 C ATOM 427 CD PRO A 44 -10.652 0.568 -4.656 1.00 0.00 C ATOM 0 HA PRO A 44 -13.449 -0.292 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.114 -0.017 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.879 1.118 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.523 1.670 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.916 2.303 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.151 -0.050 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.888 1.196 -4.197 1.00 0.00 H new ATOM 435 N LYS A 45 -12.752 -2.835 -3.589 1.00 0.00 N ATOM 436 CA LYS A 45 -12.874 -4.252 -3.886 1.00 0.00 C ATOM 437 C LYS A 45 -13.165 -5.029 -2.602 1.00 0.00 C ATOM 438 O LYS A 45 -12.568 -4.764 -1.560 1.00 0.00 O ATOM 439 CB LYS A 45 -11.574 -4.761 -4.515 1.00 0.00 C ATOM 440 CG LYS A 45 -11.702 -6.126 -5.168 1.00 0.00 C ATOM 441 CD LYS A 45 -12.478 -6.056 -6.472 1.00 0.00 C ATOM 442 CE LYS A 45 -12.761 -7.442 -7.028 1.00 0.00 C ATOM 443 NZ LYS A 45 -13.299 -7.377 -8.411 1.00 0.00 N ATOM 0 H LYS A 45 -12.466 -2.633 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.695 -4.401 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.237 -4.042 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.803 -4.807 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.709 -6.533 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.202 -6.811 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.418 -5.529 -6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.912 -5.478 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.844 -8.032 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.475 -7.955 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.480 -8.340 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.187 -6.835 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.607 -6.910 -9.031 1.00 0.00 H new ATOM 457 N CYS A 46 -14.098 -5.966 -2.682 1.00 0.00 N ATOM 458 CA CYS A 46 -14.420 -6.834 -1.558 1.00 0.00 C ATOM 459 C CYS A 46 -13.581 -8.097 -1.621 1.00 0.00 C ATOM 460 O CYS A 46 -13.284 -8.726 -0.603 1.00 0.00 O ATOM 461 CB CYS A 46 -15.894 -7.204 -1.599 1.00 0.00 C ATOM 462 SG CYS A 46 -17.011 -5.792 -1.460 1.00 0.00 S ATOM 0 H CYS A 46 -14.650 -6.146 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.204 -6.304 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.101 -7.727 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.105 -7.902 -0.789 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.242 -6.206 -1.507 1.00 0.00 H new ATOM 468 N GLN A 47 -13.226 -8.460 -2.835 1.00 0.00 N ATOM 469 CA GLN A 47 -12.412 -9.625 -3.086 1.00 0.00 C ATOM 470 C GLN A 47 -10.945 -9.275 -2.890 1.00 0.00 C ATOM 471 O GLN A 47 -10.452 -8.321 -3.492 1.00 0.00 O ATOM 472 CB GLN A 47 -12.685 -10.113 -4.503 1.00 0.00 C ATOM 473 CG GLN A 47 -14.137 -10.504 -4.724 1.00 0.00 C ATOM 474 CD GLN A 47 -14.506 -11.830 -4.081 1.00 0.00 C ATOM 475 OE1 GLN A 47 -13.936 -12.229 -3.063 1.00 0.00 O ATOM 476 NE2 GLN A 47 -15.460 -12.525 -4.678 1.00 0.00 N ATOM 0 H GLN A 47 -13.496 -7.952 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 47 -12.659 -10.424 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.413 -9.330 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.047 -10.970 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -14.782 -9.722 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.332 -10.561 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.907 -12.160 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.749 -13.426 -4.297 1.00 0.00 H new ATOM 485 N ASN A 48 -10.264 -10.059 -2.050 1.00 0.00 N ATOM 486 CA ASN A 48 -8.909 -9.744 -1.581 1.00 0.00 C ATOM 487 C ASN A 48 -8.964 -8.601 -0.569 1.00 0.00 C ATOM 488 O ASN A 48 -9.871 -7.772 -0.602 1.00 0.00 O ATOM 489 CB ASN A 48 -7.962 -9.391 -2.733 1.00 0.00 C ATOM 490 CG ASN A 48 -7.657 -10.561 -3.655 1.00 0.00 C ATOM 491 OD1 ASN A 48 -7.424 -10.372 -4.852 1.00 0.00 O ATOM 492 ND2 ASN A 48 -7.648 -11.771 -3.115 1.00 0.00 N ATOM 0 H ASN A 48 -10.636 -10.931 -1.675 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.510 -10.638 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.402 -8.584 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.027 -9.012 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.443 -12.586 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.846 -11.887 -2.121 1.00 0.00 H new ATOM 499 N ASN A 49 -8.021 -8.574 0.358 1.00 0.00 N ATOM 500 CA ASN A 49 -8.043 -7.571 1.417 1.00 0.00 C ATOM 501 C ASN A 49 -7.073 -6.442 1.118 1.00 0.00 C ATOM 502 O ASN A 49 -5.853 -6.635 1.146 1.00 0.00 O ATOM 503 CB ASN A 49 -7.715 -8.200 2.773 1.00 0.00 C ATOM 504 CG ASN A 49 -7.800 -7.196 3.915 1.00 0.00 C ATOM 505 OD1 ASN A 49 -8.867 -6.990 4.497 1.00 0.00 O ATOM 506 ND2 ASN A 49 -6.677 -6.585 4.261 1.00 0.00 N ATOM 0 H ASN A 49 -7.238 -9.226 0.402 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.051 -7.159 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.403 -9.023 2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.712 -8.625 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.676 -5.918 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.813 -6.781 3.756 1.00 0.00 H new ATOM 513 N SER A 50 -7.631 -5.274 0.816 1.00 0.00 N ATOM 514 CA SER A 50 -6.846 -4.071 0.575 1.00 0.00 C ATOM 515 C SER A 50 -5.911 -4.269 -0.623 1.00 0.00 C ATOM 516 O SER A 50 -6.338 -4.784 -1.660 1.00 0.00 O ATOM 517 CB SER A 50 -6.067 -3.702 1.839 1.00 0.00 C ATOM 518 OG SER A 50 -6.940 -3.581 2.951 1.00 0.00 O ATOM 0 H SER A 50 -8.638 -5.136 0.732 1.00 0.00 H new ATOM 0 HA SER A 50 -7.516 -3.246 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.314 -4.463 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.536 -2.763 1.683 1.00 0.00 H new ATOM 0 HG SER A 50 -6.471 -3.137 3.688 1.00 0.00 H new ATOM 524 N ILE A 51 -4.654 -3.860 -0.504 1.00 0.00 N ATOM 525 CA ILE A 51 -3.699 -4.073 -1.585 1.00 0.00 C ATOM 526 C ILE A 51 -2.546 -4.964 -1.134 1.00 0.00 C ATOM 527 O ILE A 51 -1.664 -5.291 -1.923 1.00 0.00 O ATOM 528 CB ILE A 51 -3.128 -2.742 -2.127 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.323 -2.015 -1.047 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.253 -1.855 -2.642 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.567 -0.810 -1.560 1.00 0.00 C ATOM 0 H ILE A 51 -4.276 -3.386 0.316 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.248 -4.567 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.456 -2.969 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.000 -1.698 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.615 -2.714 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.836 -0.922 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.782 -2.368 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.947 -1.639 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.021 -0.347 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.864 -1.123 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.270 -0.091 -1.979 1.00 0.00 H new ATOM 543 N ALA A 52 -2.579 -5.368 0.136 1.00 0.00 N ATOM 544 CA ALA A 52 -1.492 -6.136 0.745 1.00 0.00 C ATOM 545 C ALA A 52 -1.179 -7.398 -0.041 1.00 0.00 C ATOM 546 O ALA A 52 -0.021 -7.672 -0.354 1.00 0.00 O ATOM 547 CB ALA A 52 -1.845 -6.486 2.179 1.00 0.00 C ATOM 0 H ALA A 52 -3.355 -5.174 0.769 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.598 -5.512 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.031 -7.057 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.000 -5.570 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.757 -7.082 2.194 1.00 0.00 H new ATOM 553 N ASP A 53 -2.212 -8.166 -0.343 1.00 0.00 N ATOM 554 CA ASP A 53 -2.074 -9.335 -1.194 1.00 0.00 C ATOM 555 C ASP A 53 -3.326 -9.492 -2.036 1.00 0.00 C ATOM 556 O ASP A 53 -4.269 -10.189 -1.660 1.00 0.00 O ATOM 557 CB ASP A 53 -1.815 -10.601 -0.374 1.00 0.00 C ATOM 558 CG ASP A 53 -1.615 -11.818 -1.257 1.00 0.00 C ATOM 559 OD1 ASP A 53 -0.757 -11.766 -2.161 1.00 0.00 O ATOM 560 OD2 ASP A 53 -2.310 -12.836 -1.044 1.00 0.00 O ATOM 0 H ASP A 53 -3.161 -7.999 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.212 -9.190 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.932 -10.456 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.654 -10.775 0.299 1.00 0.00 H new ATOM 565 N SER A 54 -3.334 -8.807 -3.162 1.00 0.00 N ATOM 566 CA SER A 54 -4.477 -8.800 -4.048 1.00 0.00 C ATOM 567 C SER A 54 -4.022 -9.051 -5.477 1.00 0.00 C ATOM 568 O SER A 54 -2.917 -8.662 -5.862 1.00 0.00 O ATOM 569 CB SER A 54 -5.192 -7.454 -3.937 1.00 0.00 C ATOM 570 OG SER A 54 -5.514 -7.166 -2.585 1.00 0.00 O ATOM 0 H SER A 54 -2.550 -8.241 -3.487 1.00 0.00 H new ATOM 0 HA SER A 54 -5.170 -9.592 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.557 -6.665 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.102 -7.469 -4.537 1.00 0.00 H new ATOM 0 HG SER A 54 -5.816 -6.237 -2.512 1.00 0.00 H new ATOM 576 N ASN A 55 -4.872 -9.700 -6.260 1.00 0.00 N ATOM 577 CA ASN A 55 -4.520 -10.075 -7.626 1.00 0.00 C ATOM 578 C ASN A 55 -4.616 -8.897 -8.583 1.00 0.00 C ATOM 579 O ASN A 55 -4.393 -9.049 -9.784 1.00 0.00 O ATOM 580 CB ASN A 55 -5.413 -11.209 -8.127 1.00 0.00 C ATOM 581 CG ASN A 55 -5.130 -12.520 -7.428 1.00 0.00 C ATOM 582 OD1 ASN A 55 -5.772 -12.859 -6.435 1.00 0.00 O ATOM 583 ND2 ASN A 55 -4.166 -13.267 -7.943 1.00 0.00 N ATOM 0 H ASN A 55 -5.811 -9.979 -5.975 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.484 -10.412 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.458 -10.938 -7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.268 -11.334 -9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.931 -14.162 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.659 -12.947 -8.768 1.00 0.00 H new ATOM 590 N SER A 56 -4.946 -7.727 -8.062 1.00 0.00 N ATOM 591 CA SER A 56 -5.030 -6.542 -8.887 1.00 0.00 C ATOM 592 C SER A 56 -3.639 -6.034 -9.213 1.00 0.00 C ATOM 593 O SER A 56 -2.841 -5.748 -8.322 1.00 0.00 O ATOM 594 CB SER A 56 -5.830 -5.448 -8.188 1.00 0.00 C ATOM 595 OG SER A 56 -5.897 -4.279 -8.985 1.00 0.00 O ATOM 0 H SER A 56 -5.159 -7.576 -7.076 1.00 0.00 H new ATOM 0 HA SER A 56 -5.542 -6.807 -9.812 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.837 -5.807 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.369 -5.212 -7.229 1.00 0.00 H new ATOM 0 HG SER A 56 -6.543 -3.654 -8.595 1.00 0.00 H new ATOM 601 N MET A 57 -3.367 -5.935 -10.506 1.00 0.00 N ATOM 602 CA MET A 57 -2.107 -5.399 -11.005 1.00 0.00 C ATOM 603 C MET A 57 -1.901 -3.990 -10.477 1.00 0.00 C ATOM 604 O MET A 57 -0.782 -3.571 -10.179 1.00 0.00 O ATOM 605 CB MET A 57 -2.122 -5.352 -12.533 1.00 0.00 C ATOM 606 CG MET A 57 -2.978 -6.425 -13.176 1.00 0.00 C ATOM 607 SD MET A 57 -4.384 -5.744 -14.084 1.00 0.00 S ATOM 608 CE MET A 57 -5.455 -5.204 -12.746 1.00 0.00 C ATOM 0 H MET A 57 -4.014 -6.224 -11.240 1.00 0.00 H new ATOM 0 HA MET A 57 -1.298 -6.046 -10.666 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.483 -4.374 -12.852 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.100 -5.450 -12.899 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.363 -7.016 -13.856 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.343 -7.104 -12.405 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.242 -4.564 -13.145 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.903 -6.074 -12.265 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.870 -4.646 -12.014 1.00 0.00 H new ATOM 618 N ILE A 58 -3.006 -3.275 -10.353 1.00 0.00 N ATOM 619 CA ILE A 58 -2.984 -1.885 -9.942 1.00 0.00 C ATOM 620 C ILE A 58 -2.685 -1.791 -8.442 1.00 0.00 C ATOM 621 O ILE A 58 -2.087 -0.822 -7.980 1.00 0.00 O ATOM 622 CB ILE A 58 -4.316 -1.176 -10.336 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.288 -1.051 -9.161 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.984 -1.926 -11.479 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.043 0.180 -8.324 1.00 0.00 C ATOM 0 H ILE A 58 -3.940 -3.642 -10.534 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.185 -1.360 -10.466 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.059 -0.165 -10.651 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.309 -1.028 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.203 -1.936 -8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.914 -1.425 -11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.318 -1.943 -12.341 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.200 -2.948 -11.167 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.763 0.213 -7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.033 0.148 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.156 1.070 -8.944 1.00 0.00 H new ATOM 637 N ALA A 59 -3.081 -2.819 -7.690 1.00 0.00 N ATOM 638 CA ALA A 59 -2.752 -2.895 -6.268 1.00 0.00 C ATOM 639 C ALA A 59 -1.239 -2.889 -6.094 1.00 0.00 C ATOM 640 O ALA A 59 -0.703 -2.250 -5.188 1.00 0.00 O ATOM 641 CB ALA A 59 -3.353 -4.144 -5.634 1.00 0.00 C ATOM 0 H ALA A 59 -3.627 -3.606 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.177 -2.027 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.093 -4.176 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.438 -4.120 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.959 -5.030 -6.131 1.00 0.00 H new ATOM 647 N THR A 60 -0.561 -3.595 -6.989 1.00 0.00 N ATOM 648 CA THR A 60 0.892 -3.620 -7.020 1.00 0.00 C ATOM 649 C THR A 60 1.457 -2.227 -7.305 1.00 0.00 C ATOM 650 O THR A 60 2.438 -1.812 -6.687 1.00 0.00 O ATOM 651 CB THR A 60 1.386 -4.625 -8.076 1.00 0.00 C ATOM 652 OG1 THR A 60 0.915 -5.938 -7.739 1.00 0.00 O ATOM 653 CG2 THR A 60 2.901 -4.622 -8.162 1.00 0.00 C ATOM 0 H THR A 60 -1.003 -4.164 -7.711 1.00 0.00 H new ATOM 0 HA THR A 60 1.248 -3.936 -6.040 1.00 0.00 H new ATOM 0 HB THR A 60 0.993 -4.332 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.678 -6.547 -7.654 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.224 -5.341 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.248 -3.626 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.321 -4.897 -7.194 1.00 0.00 H new ATOM 661 N ASP A 61 0.817 -1.505 -8.223 1.00 0.00 N ATOM 662 CA ASP A 61 1.203 -0.123 -8.539 1.00 0.00 C ATOM 663 C ASP A 61 1.225 0.719 -7.276 1.00 0.00 C ATOM 664 O ASP A 61 2.175 1.455 -7.007 1.00 0.00 O ATOM 665 CB ASP A 61 0.212 0.525 -9.505 1.00 0.00 C ATOM 666 CG ASP A 61 0.833 1.676 -10.271 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.066 2.742 -9.666 1.00 0.00 O ATOM 668 OD2 ASP A 61 1.089 1.526 -11.486 1.00 0.00 O ATOM 0 H ASP A 61 0.026 -1.852 -8.765 1.00 0.00 H new ATOM 0 HA ASP A 61 2.192 -0.165 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.151 -0.224 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.653 0.885 -8.949 1.00 0.00 H new ATOM 673 N LEU A 62 0.157 0.596 -6.504 1.00 0.00 N ATOM 674 CA LEU A 62 -0.005 1.367 -5.284 1.00 0.00 C ATOM 675 C LEU A 62 1.038 0.953 -4.258 1.00 0.00 C ATOM 676 O LEU A 62 1.540 1.775 -3.497 1.00 0.00 O ATOM 677 CB LEU A 62 -1.411 1.159 -4.712 1.00 0.00 C ATOM 678 CG LEU A 62 -2.555 1.210 -5.727 1.00 0.00 C ATOM 679 CD1 LEU A 62 -3.894 1.209 -5.011 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.426 2.421 -6.642 1.00 0.00 C ATOM 0 H LEU A 62 -0.617 -0.037 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 62 0.130 2.423 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.439 0.192 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.590 1.919 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.497 0.319 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.699 1.246 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.987 0.301 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.958 2.080 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.253 2.430 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.450 3.333 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.482 2.368 -7.185 1.00 0.00 H new ATOM 692 N ARG A 63 1.371 -0.329 -4.258 1.00 0.00 N ATOM 693 CA ARG A 63 2.385 -0.856 -3.360 1.00 0.00 C ATOM 694 C ARG A 63 3.768 -0.332 -3.735 1.00 0.00 C ATOM 695 O ARG A 63 4.639 -0.192 -2.877 1.00 0.00 O ATOM 696 CB ARG A 63 2.351 -2.385 -3.354 1.00 0.00 C ATOM 697 CG ARG A 63 1.109 -2.938 -2.677 1.00 0.00 C ATOM 698 CD ARG A 63 1.148 -4.450 -2.549 1.00 0.00 C ATOM 699 NE ARG A 63 1.036 -5.123 -3.847 1.00 0.00 N ATOM 700 CZ ARG A 63 0.885 -6.443 -3.996 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.800 -7.233 -2.934 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.813 -6.970 -5.213 1.00 0.00 N ATOM 0 H ARG A 63 0.951 -1.026 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 63 2.166 -0.511 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.394 -2.750 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.237 -2.763 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.010 -2.494 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.227 -2.646 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.080 -4.747 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.335 -4.778 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 63 1.076 -4.548 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.850 -6.834 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.685 -8.239 -3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.873 -6.368 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.698 -7.977 -5.327 1.00 0.00 H new ATOM 716 N GLN A 64 3.963 -0.042 -5.016 1.00 0.00 N ATOM 717 CA GLN A 64 5.163 0.647 -5.468 1.00 0.00 C ATOM 718 C GLN A 64 5.223 2.041 -4.860 1.00 0.00 C ATOM 719 O GLN A 64 6.257 2.452 -4.346 1.00 0.00 O ATOM 720 CB GLN A 64 5.190 0.744 -6.988 1.00 0.00 C ATOM 721 CG GLN A 64 5.207 -0.602 -7.688 1.00 0.00 C ATOM 722 CD GLN A 64 5.169 -0.469 -9.198 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.564 0.457 -9.737 1.00 0.00 O ATOM 724 NE2 GLN A 64 5.840 -1.372 -9.895 1.00 0.00 N ATOM 0 H GLN A 64 3.304 -0.274 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 64 6.031 0.074 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.318 1.306 -7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.070 1.312 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.104 -1.149 -7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.352 -1.192 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.330 -2.126 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.867 -1.314 -10.913 1.00 0.00 H new ATOM 733 N LYS A 65 4.102 2.759 -4.907 1.00 0.00 N ATOM 734 CA LYS A 65 4.017 4.081 -4.292 1.00 0.00 C ATOM 735 C LYS A 65 4.279 3.985 -2.797 1.00 0.00 C ATOM 736 O LYS A 65 4.992 4.809 -2.233 1.00 0.00 O ATOM 737 CB LYS A 65 2.656 4.722 -4.541 1.00 0.00 C ATOM 738 CG LYS A 65 2.493 6.081 -3.874 1.00 0.00 C ATOM 739 CD LYS A 65 3.198 7.190 -4.643 1.00 0.00 C ATOM 740 CE LYS A 65 4.616 7.353 -4.146 1.00 0.00 C ATOM 741 NZ LYS A 65 5.405 8.345 -4.928 1.00 0.00 N ATOM 0 H LYS A 65 3.244 2.449 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 65 4.779 4.711 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.507 4.833 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.876 4.052 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.432 6.317 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.890 6.036 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.203 6.957 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.654 8.127 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.594 7.660 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.120 6.387 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.115 8.788 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.883 7.864 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.768 9.077 -5.304 1.00 0.00 H new ATOM 755 N VAL A 66 3.689 2.977 -2.171 1.00 0.00 N ATOM 756 CA VAL A 66 3.959 2.671 -0.774 1.00 0.00 C ATOM 757 C VAL A 66 5.466 2.541 -0.536 1.00 0.00 C ATOM 758 O VAL A 66 5.999 3.097 0.423 1.00 0.00 O ATOM 759 CB VAL A 66 3.224 1.378 -0.344 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.735 0.883 0.992 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.725 1.628 -0.267 1.00 0.00 C ATOM 0 H VAL A 66 3.015 2.352 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 66 3.584 3.493 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 66 3.421 0.610 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.202 -0.026 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.801 0.670 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.570 1.648 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.218 0.712 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.524 2.412 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.357 1.939 -1.245 1.00 0.00 H new ATOM 771 N TYR A 67 6.150 1.848 -1.440 1.00 0.00 N ATOM 772 CA TYR A 67 7.597 1.687 -1.352 1.00 0.00 C ATOM 773 C TYR A 67 8.316 3.024 -1.555 1.00 0.00 C ATOM 774 O TYR A 67 9.240 3.358 -0.811 1.00 0.00 O ATOM 775 CB TYR A 67 8.073 0.664 -2.387 1.00 0.00 C ATOM 776 CG TYR A 67 9.563 0.406 -2.357 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.134 -0.363 -1.349 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.399 0.934 -3.331 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.495 -0.596 -1.314 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.760 0.703 -3.305 1.00 0.00 C ATOM 781 CZ TYR A 67 12.301 -0.079 -2.312 1.00 0.00 C ATOM 782 OH TYR A 67 13.659 -0.285 -2.260 1.00 0.00 O ATOM 0 H TYR A 67 5.724 1.388 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 67 7.840 1.325 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.548 -0.277 -2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.795 1.012 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.503 -0.785 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.978 1.536 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.927 -1.178 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.397 1.135 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 67 14.084 0.140 -3.034 1.00 0.00 H new ATOM 792 N GLU A 68 7.900 3.779 -2.570 1.00 0.00 N ATOM 793 CA GLU A 68 8.477 5.092 -2.838 1.00 0.00 C ATOM 794 C GLU A 68 8.332 6.005 -1.626 1.00 0.00 C ATOM 795 O GLU A 68 9.301 6.601 -1.167 1.00 0.00 O ATOM 796 CB GLU A 68 7.799 5.733 -4.048 1.00 0.00 C ATOM 797 CG GLU A 68 7.821 4.857 -5.288 1.00 0.00 C ATOM 798 CD GLU A 68 7.184 5.520 -6.495 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.907 6.740 -6.443 1.00 0.00 O ATOM 800 OE2 GLU A 68 6.967 4.828 -7.509 1.00 0.00 O ATOM 0 H GLU A 68 7.164 3.502 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 68 9.538 4.957 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.764 5.965 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.292 6.679 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.853 4.599 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.299 3.924 -5.076 1.00 0.00 H new ATOM 807 N LEU A 69 7.121 6.074 -1.093 1.00 0.00 N ATOM 808 CA LEU A 69 6.819 6.925 0.051 1.00 0.00 C ATOM 809 C LEU A 69 7.651 6.532 1.274 1.00 0.00 C ATOM 810 O LEU A 69 7.981 7.379 2.109 1.00 0.00 O ATOM 811 CB LEU A 69 5.322 6.861 0.353 1.00 0.00 C ATOM 812 CG LEU A 69 4.420 7.508 -0.706 1.00 0.00 C ATOM 813 CD1 LEU A 69 2.962 7.387 -0.310 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.772 8.974 -0.896 1.00 0.00 C ATOM 0 H LEU A 69 6.321 5.544 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 69 7.085 7.953 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.033 5.816 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.139 7.347 1.311 1.00 0.00 H new ATOM 0 HG LEU A 69 4.582 6.981 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.338 7.852 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.697 6.334 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.801 7.888 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.119 9.410 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.641 9.505 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.809 9.060 -1.220 1.00 0.00 H new ATOM 826 N MET A 70 8.008 5.254 1.366 1.00 0.00 N ATOM 827 CA MET A 70 8.892 4.783 2.432 1.00 0.00 C ATOM 828 C MET A 70 10.217 5.531 2.394 1.00 0.00 C ATOM 829 O MET A 70 10.687 6.042 3.412 1.00 0.00 O ATOM 830 CB MET A 70 9.192 3.287 2.298 1.00 0.00 C ATOM 831 CG MET A 70 8.003 2.372 2.510 1.00 0.00 C ATOM 832 SD MET A 70 8.460 0.634 2.382 1.00 0.00 S ATOM 833 CE MET A 70 6.849 -0.128 2.495 1.00 0.00 C ATOM 0 H MET A 70 7.701 4.527 0.719 1.00 0.00 H new ATOM 0 HA MET A 70 8.375 4.966 3.374 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.601 3.102 1.305 1.00 0.00 H new ATOM 0 HB3 MET A 70 9.968 3.022 3.017 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.570 2.562 3.492 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.234 2.600 1.772 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.765 -0.663 3.441 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.078 0.641 2.443 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.719 -0.828 1.670 1.00 0.00 H new ATOM 843 N GLN A 71 10.810 5.602 1.209 1.00 0.00 N ATOM 844 CA GLN A 71 12.124 6.201 1.047 1.00 0.00 C ATOM 845 C GLN A 71 12.028 7.709 0.825 1.00 0.00 C ATOM 846 O GLN A 71 13.036 8.412 0.871 1.00 0.00 O ATOM 847 CB GLN A 71 12.871 5.535 -0.107 1.00 0.00 C ATOM 848 CG GLN A 71 12.043 5.417 -1.375 1.00 0.00 C ATOM 849 CD GLN A 71 12.846 4.940 -2.566 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.795 4.172 -2.428 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.480 5.411 -3.744 1.00 0.00 N ATOM 0 H GLN A 71 10.398 5.250 0.345 1.00 0.00 H new ATOM 0 HA GLN A 71 12.682 6.038 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.774 6.107 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.190 4.540 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.218 4.726 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.603 6.387 -1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.686 6.047 -3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.992 5.139 -4.583 1.00 0.00 H new ATOM 860 N GLU A 72 10.820 8.199 0.564 1.00 0.00 N ATOM 861 CA GLU A 72 10.590 9.637 0.478 1.00 0.00 C ATOM 862 C GLU A 72 10.621 10.248 1.872 1.00 0.00 C ATOM 863 O GLU A 72 11.125 11.355 2.068 1.00 0.00 O ATOM 864 CB GLU A 72 9.250 9.956 -0.201 1.00 0.00 C ATOM 865 CG GLU A 72 9.171 9.514 -1.653 1.00 0.00 C ATOM 866 CD GLU A 72 7.908 9.988 -2.348 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.411 11.091 -2.014 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.391 9.255 -3.214 1.00 0.00 O ATOM 0 H GLU A 72 9.990 7.626 0.409 1.00 0.00 H new ATOM 0 HA GLU A 72 11.385 10.068 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.448 9.475 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.075 11.031 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.040 9.894 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.218 8.426 -1.699 1.00 0.00 H new ATOM 875 N GLY A 73 10.090 9.510 2.840 1.00 0.00 N ATOM 876 CA GLY A 73 10.105 9.971 4.212 1.00 0.00 C ATOM 877 C GLY A 73 8.710 10.183 4.747 1.00 0.00 C ATOM 878 O GLY A 73 8.476 11.062 5.576 1.00 0.00 O ATOM 0 H GLY A 73 9.650 8.601 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.626 9.244 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.665 10.904 4.276 1.00 0.00 H new ATOM 882 N LYS A 74 7.775 9.383 4.263 1.00 0.00 N ATOM 883 CA LYS A 74 6.389 9.510 4.667 1.00 0.00 C ATOM 884 C LYS A 74 6.115 8.628 5.880 1.00 0.00 C ATOM 885 O LYS A 74 6.804 7.635 6.112 1.00 0.00 O ATOM 886 CB LYS A 74 5.465 9.110 3.518 1.00 0.00 C ATOM 887 CG LYS A 74 5.911 9.643 2.164 1.00 0.00 C ATOM 888 CD LYS A 74 5.734 11.143 2.059 1.00 0.00 C ATOM 889 CE LYS A 74 6.605 11.729 0.970 1.00 0.00 C ATOM 890 NZ LYS A 74 6.659 13.213 1.036 1.00 0.00 N ATOM 0 H LYS A 74 7.953 8.638 3.589 1.00 0.00 H new ATOM 0 HA LYS A 74 6.196 10.550 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.408 8.023 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.459 9.473 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.959 9.389 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.339 9.154 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.689 11.374 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.981 11.607 3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.614 11.326 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.222 11.423 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.266 13.573 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.700 13.600 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.049 13.506 1.955 1.00 0.00 H new ATOM 904 N SER A 75 5.105 9.004 6.636 1.00 0.00 N ATOM 905 CA SER A 75 4.699 8.272 7.826 1.00 0.00 C ATOM 906 C SER A 75 3.582 7.303 7.468 1.00 0.00 C ATOM 907 O SER A 75 3.082 7.340 6.354 1.00 0.00 O ATOM 908 CB SER A 75 4.248 9.258 8.902 1.00 0.00 C ATOM 909 OG SER A 75 5.266 10.211 9.176 1.00 0.00 O ATOM 0 H SER A 75 4.537 9.830 6.445 1.00 0.00 H new ATOM 0 HA SER A 75 5.540 7.699 8.217 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.343 9.770 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.996 8.717 9.814 1.00 0.00 H new ATOM 0 HG SER A 75 4.955 10.833 9.866 1.00 0.00 H new ATOM 915 N LYS A 76 3.183 6.452 8.400 1.00 0.00 N ATOM 916 CA LYS A 76 2.215 5.396 8.105 1.00 0.00 C ATOM 917 C LYS A 76 0.913 5.971 7.566 1.00 0.00 C ATOM 918 O LYS A 76 0.480 5.631 6.464 1.00 0.00 O ATOM 919 CB LYS A 76 1.951 4.544 9.344 1.00 0.00 C ATOM 920 CG LYS A 76 2.897 3.356 9.495 1.00 0.00 C ATOM 921 CD LYS A 76 4.353 3.773 9.669 1.00 0.00 C ATOM 922 CE LYS A 76 5.064 3.953 8.336 1.00 0.00 C ATOM 923 NZ LYS A 76 6.504 4.283 8.516 1.00 0.00 N ATOM 0 H LYS A 76 3.511 6.468 9.366 1.00 0.00 H new ATOM 0 HA LYS A 76 2.645 4.760 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.032 5.174 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.926 4.176 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.590 2.761 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.810 2.716 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.397 4.706 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.876 3.021 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.971 3.039 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.578 4.747 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.050 3.900 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.622 5.316 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.848 3.864 9.403 1.00 0.00 H new ATOM 937 N LYS A 77 0.310 6.858 8.336 1.00 0.00 N ATOM 938 CA LYS A 77 -0.932 7.505 7.928 1.00 0.00 C ATOM 939 C LYS A 77 -0.659 8.431 6.754 1.00 0.00 C ATOM 940 O LYS A 77 -1.517 8.658 5.910 1.00 0.00 O ATOM 941 CB LYS A 77 -1.537 8.292 9.092 1.00 0.00 C ATOM 942 CG LYS A 77 -1.517 7.526 10.402 1.00 0.00 C ATOM 943 CD LYS A 77 -2.233 6.193 10.272 1.00 0.00 C ATOM 944 CE LYS A 77 -2.196 5.402 11.574 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.046 4.183 11.504 1.00 0.00 N ATOM 0 H LYS A 77 0.658 7.150 9.249 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.647 6.740 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.989 9.226 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.566 8.557 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.486 7.359 10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.992 8.122 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.269 6.364 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.770 5.608 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.168 5.116 11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.535 6.035 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.383 3.940 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.861 4.363 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.489 3.393 11.122 1.00 0.00 H new ATOM 959 N GLU A 78 0.558 8.945 6.716 1.00 0.00 N ATOM 960 CA GLU A 78 0.997 9.839 5.654 1.00 0.00 C ATOM 961 C GLU A 78 1.066 9.111 4.309 1.00 0.00 C ATOM 962 O GLU A 78 0.686 9.675 3.291 1.00 0.00 O ATOM 963 CB GLU A 78 2.355 10.432 6.027 1.00 0.00 C ATOM 964 CG GLU A 78 2.985 11.314 4.963 1.00 0.00 C ATOM 965 CD GLU A 78 2.324 12.670 4.852 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.711 13.120 5.841 1.00 0.00 O ATOM 967 OE2 GLU A 78 2.455 13.306 3.791 1.00 0.00 O ATOM 0 H GLU A 78 1.271 8.755 7.420 1.00 0.00 H new ATOM 0 HA GLU A 78 0.271 10.645 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.241 11.016 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.041 9.616 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.042 11.449 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.928 10.808 3.999 1.00 0.00 H new ATOM 974 N ILE A 79 1.546 7.866 4.300 1.00 0.00 N ATOM 975 CA ILE A 79 1.582 7.078 3.070 1.00 0.00 C ATOM 976 C ILE A 79 0.168 6.863 2.536 1.00 0.00 C ATOM 977 O ILE A 79 -0.115 7.171 1.382 1.00 0.00 O ATOM 978 CB ILE A 79 2.281 5.698 3.242 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.797 5.817 3.050 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.730 4.689 2.244 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.607 5.775 4.327 1.00 0.00 C ATOM 0 H ILE A 79 1.912 7.387 5.123 1.00 0.00 H new ATOM 0 HA ILE A 79 2.174 7.654 2.359 1.00 0.00 H new ATOM 0 HB ILE A 79 2.078 5.355 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.130 5.009 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.011 6.752 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.232 3.731 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.659 4.564 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.904 5.048 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.667 5.866 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.308 6.599 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.430 4.829 4.839 1.00 0.00 H new ATOM 993 N VAL A 80 -0.722 6.362 3.386 1.00 0.00 N ATOM 994 CA VAL A 80 -2.087 6.080 2.963 1.00 0.00 C ATOM 995 C VAL A 80 -2.828 7.372 2.623 1.00 0.00 C ATOM 996 O VAL A 80 -3.627 7.415 1.683 1.00 0.00 O ATOM 997 CB VAL A 80 -2.869 5.259 4.020 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.731 5.856 5.407 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.330 5.158 3.634 1.00 0.00 C ATOM 0 H VAL A 80 -0.525 6.145 4.363 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.024 5.468 2.063 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.438 4.258 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.293 5.253 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.679 5.871 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.121 6.874 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.866 4.579 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.760 6.158 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.417 4.665 2.666 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.538 8.432 3.366 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.124 9.736 3.092 1.00 0.00 C ATOM 1011 C ASP A 81 -2.584 10.280 1.776 1.00 0.00 C ATOM 1012 O ASP A 81 -3.305 10.921 1.014 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.824 10.711 4.232 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.518 12.047 4.062 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.766 12.072 4.010 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.824 13.080 3.994 1.00 0.00 O ATOM 0 H ASP A 81 -1.901 8.414 4.162 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.205 9.624 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.133 10.264 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.748 10.871 4.293 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.317 9.990 1.508 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.677 10.374 0.255 1.00 0.00 C ATOM 1023 C TYR A 82 -1.358 9.659 -0.896 1.00 0.00 C ATOM 1024 O TYR A 82 -1.626 10.246 -1.949 1.00 0.00 O ATOM 1025 CB TYR A 82 0.804 9.990 0.268 1.00 0.00 C ATOM 1026 CG TYR A 82 1.648 10.792 -0.695 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.587 10.566 -2.064 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.500 11.782 -0.232 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.358 11.304 -2.942 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.274 12.524 -1.101 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.199 12.253 -2.477 1.00 0.00 C ATOM 1032 OH TYR A 82 3.973 13.016 -3.320 1.00 0.00 O ATOM 0 H TYR A 82 -0.706 9.484 2.149 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.765 11.454 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.195 10.121 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.898 8.932 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 82 0.927 9.802 -2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.559 11.977 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.288 11.121 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.926 13.300 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 82 4.510 13.644 -2.793 1.00 0.00 H new ATOM 1042 N MET A 83 -1.627 8.381 -0.675 1.00 0.00 N ATOM 1043 CA MET A 83 -2.289 7.545 -1.659 1.00 0.00 C ATOM 1044 C MET A 83 -3.618 8.150 -2.067 1.00 0.00 C ATOM 1045 O MET A 83 -3.850 8.399 -3.239 1.00 0.00 O ATOM 1046 CB MET A 83 -2.517 6.142 -1.103 1.00 0.00 C ATOM 1047 CG MET A 83 -1.240 5.403 -0.758 1.00 0.00 C ATOM 1048 SD MET A 83 -0.185 5.136 -2.193 1.00 0.00 S ATOM 1049 CE MET A 83 -1.309 4.268 -3.281 1.00 0.00 C ATOM 0 H MET A 83 -1.392 7.897 0.191 1.00 0.00 H new ATOM 0 HA MET A 83 -1.644 7.482 -2.535 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.137 6.212 -0.209 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.077 5.559 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.689 5.969 -0.007 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.491 4.441 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.744 3.787 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.852 3.512 -2.715 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.017 4.976 -3.713 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.486 8.397 -1.098 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.807 8.958 -1.395 1.00 0.00 C ATOM 1061 C VAL A 84 -5.689 10.376 -1.945 1.00 0.00 C ATOM 1062 O VAL A 84 -6.538 10.829 -2.711 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.748 8.959 -0.165 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.754 7.602 0.512 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.386 10.063 0.819 1.00 0.00 C ATOM 0 H VAL A 84 -4.309 8.223 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.248 8.308 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.757 9.163 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.422 7.628 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.099 6.845 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.745 7.356 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.068 10.031 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.364 9.918 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.466 11.031 0.325 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.642 11.079 -1.539 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.435 12.449 -1.974 1.00 0.00 C ATOM 1077 C ALA A 85 -4.130 12.516 -3.469 1.00 0.00 C ATOM 1078 O ALA A 85 -4.662 13.366 -4.182 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.312 13.093 -1.179 1.00 0.00 C ATOM 0 H ALA A 85 -3.924 10.722 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.358 13.000 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.169 14.119 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.569 13.092 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.391 12.530 -1.329 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.270 11.620 -3.938 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.845 11.617 -5.338 1.00 0.00 C ATOM 1087 C ARG A 86 -3.628 10.606 -6.175 1.00 0.00 C ATOM 1088 O ARG A 86 -3.999 10.884 -7.316 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.350 11.308 -5.437 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.461 12.537 -5.431 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.456 13.226 -4.080 1.00 0.00 C ATOM 1092 NE ARG A 86 0.317 14.466 -4.114 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.862 15.047 -3.046 1.00 0.00 C ATOM 1094 NH1 ARG A 86 0.652 14.550 -1.829 1.00 0.00 N ATOM 1095 NH2 ARG A 86 1.597 16.144 -3.195 1.00 0.00 N ATOM 0 H ARG A 86 -2.851 10.884 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.046 12.612 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.067 10.664 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.166 10.745 -6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.557 12.250 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.804 13.236 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.480 13.443 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.037 12.555 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 86 0.448 14.918 -5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.071 13.720 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.072 14.999 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.742 16.538 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.016 16.592 -2.380 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.871 9.441 -5.601 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.493 8.328 -6.314 1.00 0.00 C ATOM 1111 C TYR A 87 -5.894 8.054 -5.784 1.00 0.00 C ATOM 1112 O TYR A 87 -6.361 6.922 -5.816 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.641 7.064 -6.155 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.222 7.188 -6.669 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.962 7.320 -8.028 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.141 7.162 -5.792 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.666 7.423 -8.498 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.159 7.263 -6.256 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.389 7.393 -7.610 1.00 0.00 C ATOM 1120 OH TYR A 87 1.681 7.486 -8.076 1.00 0.00 O ATOM 0 H TYR A 87 -3.645 9.235 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.562 8.600 -7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.608 6.795 -5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.132 6.243 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.785 7.342 -8.727 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.320 7.061 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.480 7.527 -9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.987 7.240 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 87 2.244 7.913 -7.397 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.576 9.095 -5.328 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.849 8.910 -4.644 1.00 0.00 C ATOM 1132 C GLY A 88 -8.964 8.404 -5.539 1.00 0.00 C ATOM 1133 O GLY A 88 -10.024 8.010 -5.051 1.00 0.00 O ATOM 0 H GLY A 88 -6.275 10.065 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.709 8.207 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.154 9.859 -4.203 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.739 8.406 -6.843 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.726 7.884 -7.781 1.00 0.00 C ATOM 1139 C ASN A 89 -9.507 6.394 -7.988 1.00 0.00 C ATOM 1140 O ASN A 89 -10.267 5.730 -8.694 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.658 8.619 -9.124 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.088 10.073 -9.023 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -9.866 10.736 -8.009 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.725 10.572 -10.067 1.00 0.00 N ATOM 0 H ASN A 89 -7.887 8.761 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.717 8.047 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.639 8.572 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.294 8.106 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.052 11.538 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.890 9.991 -10.889 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.457 5.878 -7.369 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.140 4.460 -7.434 1.00 0.00 C ATOM 1153 C PHE A 90 -8.101 3.867 -6.029 1.00 0.00 C ATOM 1154 O PHE A 90 -8.417 2.695 -5.828 1.00 0.00 O ATOM 1155 CB PHE A 90 -6.786 4.242 -8.114 1.00 0.00 C ATOM 1156 CG PHE A 90 -6.690 4.831 -9.492 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.206 4.155 -10.585 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.082 6.059 -9.696 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.118 4.693 -11.854 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -5.991 6.601 -10.962 1.00 0.00 C ATOM 1161 CZ PHE A 90 -6.509 5.917 -12.043 1.00 0.00 C ATOM 0 H PHE A 90 -7.804 6.427 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.915 3.963 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.004 4.675 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.590 3.171 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.683 3.196 -10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.674 6.599 -8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.526 4.156 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.515 7.560 -11.107 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.438 6.339 -13.035 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.708 4.693 -5.068 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.534 4.255 -3.691 1.00 0.00 C ATOM 1173 C VAL A 91 -8.479 5.027 -2.768 1.00 0.00 C ATOM 1174 O VAL A 91 -9.068 6.031 -3.173 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.065 4.458 -3.220 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.116 4.483 -4.405 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.909 5.737 -2.421 1.00 0.00 C ATOM 0 H VAL A 91 -7.502 5.680 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.769 3.192 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.815 3.614 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.095 4.626 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.184 3.539 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.387 5.302 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.871 5.846 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.194 6.589 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.551 5.697 -1.541 1.00 0.00 H new ATOM 1187 N THR A 92 -8.627 4.556 -1.536 1.00 0.00 N ATOM 1188 CA THR A 92 -9.446 5.236 -0.545 1.00 0.00 C ATOM 1189 C THR A 92 -8.955 4.911 0.861 1.00 0.00 C ATOM 1190 O THR A 92 -8.463 3.817 1.110 1.00 0.00 O ATOM 1191 CB THR A 92 -10.925 4.814 -0.682 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.427 5.179 -1.975 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.785 5.445 0.401 1.00 0.00 C ATOM 0 H THR A 92 -8.187 3.700 -1.199 1.00 0.00 H new ATOM 0 HA THR A 92 -9.364 6.309 -0.716 1.00 0.00 H new ATOM 0 HB THR A 92 -10.973 3.731 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.365 4.905 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.820 5.127 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.425 5.130 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.727 6.531 0.325 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.057 5.861 1.777 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.724 5.583 3.159 1.00 0.00 C ATOM 1203 C TYR A 93 -10.005 5.366 3.955 1.00 0.00 C ATOM 1204 O TYR A 93 -10.718 6.313 4.297 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.867 6.709 3.749 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.460 6.473 5.188 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -7.132 5.201 5.639 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.389 7.525 6.090 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.751 4.982 6.946 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -7.009 7.315 7.401 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.690 6.042 7.824 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.310 5.828 9.128 1.00 0.00 O ATOM 0 H TYR A 93 -9.363 6.816 1.590 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.129 4.671 3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.970 6.827 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.420 7.646 3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.176 4.368 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.635 8.524 5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.502 3.985 7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.962 8.144 8.092 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.075 4.884 9.250 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.263 4.102 4.249 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.496 3.657 4.885 1.00 0.00 C ATOM 1224 C ASP A 94 -11.237 2.308 5.536 1.00 0.00 C ATOM 1225 O ASP A 94 -10.269 1.639 5.175 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.619 3.507 3.845 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.676 4.590 3.930 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -14.526 4.535 4.844 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.644 5.524 3.103 1.00 0.00 O ATOM 0 H ASP A 94 -9.612 3.343 4.050 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.806 4.393 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.181 3.516 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.096 2.535 3.975 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.068 1.890 6.505 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.974 0.553 7.092 1.00 0.00 C ATOM 1236 C PRO A 95 -12.032 -0.523 6.011 1.00 0.00 C ATOM 1237 O PRO A 95 -12.956 -0.545 5.193 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.198 0.462 8.012 1.00 0.00 C ATOM 1239 CG PRO A 95 -14.074 1.604 7.622 1.00 0.00 C ATOM 1240 CD PRO A 95 -13.153 2.671 7.109 1.00 0.00 C ATOM 0 HA PRO A 95 -11.035 0.397 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.714 -0.490 7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.907 0.530 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.789 1.304 6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.651 1.963 8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.644 3.315 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.792 3.315 7.911 1.00 0.00 H new