USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= 0.966 K(o=0.97,f=-8.3!) USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 42 MET CE :methyl -136:sc= -0.222 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -6.03 K(o=-6.3,f=-3.9!) USER MOD Single : A 10 GLN : amide:sc= 0.567 K(o=0.57,f=-0.0093) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 7:sc= 0.148! USER MOD Single : A 25 SER OG : rot 29:sc= 0.363 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -2.13! (180deg=-2.66!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 36:sc= 0.118 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.0031) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 82 SER OG : rot -54:sc= 0.315 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.59) USER MOD Single : A 87 THR OG1 : rot -73:sc= 0.178 USER MOD Single : A 93 THR OG1 : rot -33:sc= 0.022! USER MOD Single : A 94 TYR OH : rot -58:sc= 0.716 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= -1.31 (180deg=-4.01!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.869 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 82:sc= 1.1 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.154 26.583 -4.529 1.00 0.00 N ATOM 67 CA GLU A 8 -7.546 25.862 -3.323 1.00 0.00 C ATOM 68 C GLU A 8 -6.830 24.517 -3.237 1.00 0.00 C ATOM 69 O GLU A 8 -6.808 23.750 -4.200 1.00 0.00 O ATOM 70 CB GLU A 8 -9.060 25.648 -3.299 1.00 0.00 C ATOM 71 CG GLU A 8 -9.551 24.904 -2.069 1.00 0.00 C ATOM 72 CD GLU A 8 -11.009 25.182 -1.761 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.879 24.503 -2.345 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.279 26.079 -0.935 1.00 0.00 O ATOM 0 HA GLU A 8 -7.258 26.464 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.556 26.617 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.354 25.093 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.413 23.833 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.942 25.187 -1.211 1.00 0.00 H new ATOM 81 N LEU A 9 -6.244 24.239 -2.077 1.00 0.00 N ATOM 82 CA LEU A 9 -5.526 22.987 -1.864 1.00 0.00 C ATOM 83 C LEU A 9 -6.292 21.811 -2.462 1.00 0.00 C ATOM 84 O LEU A 9 -7.511 21.870 -2.622 1.00 0.00 O ATOM 85 CB LEU A 9 -5.299 22.755 -0.369 1.00 0.00 C ATOM 86 CG LEU A 9 -4.909 21.334 0.038 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.038 21.356 1.285 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.151 20.485 0.268 1.00 0.00 C ATOM 0 H LEU A 9 -6.252 24.863 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.561 23.060 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.518 23.436 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.211 23.027 0.163 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.334 20.889 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.770 20.336 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.132 21.928 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.587 21.820 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.854 19.477 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.752 20.928 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.737 20.442 -0.650 1.00 0.00 H new ATOM 100 N GLN A 10 -5.569 20.745 -2.787 1.00 0.00 N ATOM 101 CA GLN A 10 -6.181 19.554 -3.365 1.00 0.00 C ATOM 102 C GLN A 10 -5.208 18.380 -3.352 1.00 0.00 C ATOM 103 O GLN A 10 -4.021 18.541 -3.634 1.00 0.00 O ATOM 104 CB GLN A 10 -6.640 19.836 -4.797 1.00 0.00 C ATOM 105 CG GLN A 10 -7.033 18.585 -5.567 1.00 0.00 C ATOM 106 CD GLN A 10 -8.331 17.979 -5.072 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.375 18.632 -5.073 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.273 16.722 -4.646 1.00 0.00 N ATOM 0 H GLN A 10 -4.559 20.681 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.047 19.290 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.490 20.518 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.839 20.346 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.131 18.830 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.236 17.846 -5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.386 16.218 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.115 16.261 -4.302 1.00 0.00 H new ATOM 117 N VAL A 11 -5.719 17.198 -3.021 1.00 0.00 N ATOM 118 CA VAL A 11 -4.896 15.996 -2.971 1.00 0.00 C ATOM 119 C VAL A 11 -4.834 15.316 -4.334 1.00 0.00 C ATOM 120 O VAL A 11 -5.865 15.015 -4.936 1.00 0.00 O ATOM 121 CB VAL A 11 -5.430 14.993 -1.932 1.00 0.00 C ATOM 122 CG1 VAL A 11 -6.949 14.928 -1.983 1.00 0.00 C ATOM 123 CG2 VAL A 11 -4.821 13.617 -2.159 1.00 0.00 C ATOM 0 H VAL A 11 -6.700 17.048 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.894 16.310 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.139 15.335 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.308 14.214 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.363 15.913 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.266 14.610 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.209 12.920 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.080 13.265 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.737 13.679 -2.066 1.00 0.00 H new ATOM 133 N ILE A 12 -3.619 15.075 -4.814 1.00 0.00 N ATOM 134 CA ILE A 12 -3.423 14.428 -6.105 1.00 0.00 C ATOM 135 C ILE A 12 -3.057 12.958 -5.934 1.00 0.00 C ATOM 136 O ILE A 12 -2.184 12.615 -5.136 1.00 0.00 O ATOM 137 CB ILE A 12 -2.321 15.127 -6.924 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.677 16.599 -7.146 1.00 0.00 C ATOM 139 CG2 ILE A 12 -2.120 14.419 -8.255 1.00 0.00 C ATOM 140 CD1 ILE A 12 -4.002 16.801 -7.847 1.00 0.00 C ATOM 0 H ILE A 12 -2.756 15.318 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.368 14.505 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.387 15.078 -6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.704 17.107 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.889 17.070 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.338 14.925 -8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.827 13.384 -8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.051 14.440 -8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.189 17.868 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.973 16.322 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.800 16.359 -7.251 1.00 0.00 H new ATOM 152 N GLN A 13 -3.729 12.094 -6.688 1.00 0.00 N ATOM 153 CA GLN A 13 -3.473 10.660 -6.620 1.00 0.00 C ATOM 154 C GLN A 13 -3.182 10.093 -8.005 1.00 0.00 C ATOM 155 O GLN A 13 -4.082 9.665 -8.729 1.00 0.00 O ATOM 156 CB GLN A 13 -4.669 9.936 -6.000 1.00 0.00 C ATOM 157 CG GLN A 13 -4.593 9.822 -4.486 1.00 0.00 C ATOM 158 CD GLN A 13 -5.324 8.605 -3.955 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.133 7.997 -4.657 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.043 8.241 -2.709 1.00 0.00 N ATOM 0 H GLN A 13 -4.455 12.362 -7.353 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.596 10.502 -5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.583 10.464 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.740 8.936 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.548 9.775 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.016 10.720 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.366 8.773 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.504 7.429 -2.299 1.00 0.00 H new ATOM 169 N PRO A 14 -1.896 10.087 -8.385 1.00 0.00 N ATOM 170 CA PRO A 14 -1.457 9.574 -9.686 1.00 0.00 C ATOM 171 C PRO A 14 -1.595 8.059 -9.789 1.00 0.00 C ATOM 172 O PRO A 14 -1.630 7.504 -10.886 1.00 0.00 O ATOM 173 CB PRO A 14 0.017 9.982 -9.750 1.00 0.00 C ATOM 174 CG PRO A 14 0.439 10.099 -8.326 1.00 0.00 C ATOM 175 CD PRO A 14 -0.771 10.581 -7.574 1.00 0.00 C ATOM 0 HA PRO A 14 -2.059 9.970 -10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.611 9.237 -10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.144 10.926 -10.280 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.781 9.139 -7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.268 10.799 -8.221 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.800 10.181 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.784 11.668 -7.488 1.00 0.00 H new ATOM 183 N GLU A 15 -1.675 7.397 -8.639 1.00 0.00 N ATOM 184 CA GLU A 15 -1.809 5.946 -8.601 1.00 0.00 C ATOM 185 C GLU A 15 -3.239 5.541 -8.254 1.00 0.00 C ATOM 186 O GLU A 15 -3.514 5.077 -7.147 1.00 0.00 O ATOM 187 CB GLU A 15 -0.836 5.348 -7.583 1.00 0.00 C ATOM 188 CG GLU A 15 0.569 5.152 -8.127 1.00 0.00 C ATOM 189 CD GLU A 15 0.755 3.801 -8.790 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.591 2.773 -8.101 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.064 3.772 -10.000 1.00 0.00 O ATOM 0 H GLU A 15 -1.649 7.843 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.570 5.558 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.791 5.999 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.223 4.387 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.789 5.940 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.287 5.255 -7.314 1.00 0.00 H new ATOM 198 N LYS A 16 -4.146 5.719 -9.208 1.00 0.00 N ATOM 199 CA LYS A 16 -5.548 5.373 -9.005 1.00 0.00 C ATOM 200 C LYS A 16 -5.679 4.065 -8.231 1.00 0.00 C ATOM 201 O LYS A 16 -6.671 3.840 -7.538 1.00 0.00 O ATOM 202 CB LYS A 16 -6.265 5.254 -10.352 1.00 0.00 C ATOM 203 CG LYS A 16 -5.491 4.452 -11.384 1.00 0.00 C ATOM 204 CD LYS A 16 -5.758 4.953 -12.794 1.00 0.00 C ATOM 205 CE LYS A 16 -4.738 6.000 -13.216 1.00 0.00 C ATOM 206 NZ LYS A 16 -5.156 6.713 -14.454 1.00 0.00 N ATOM 0 H LYS A 16 -3.935 6.101 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.012 6.168 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.238 4.787 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.450 6.254 -10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.424 4.516 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.768 3.400 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.730 4.115 -13.490 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.760 5.378 -12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.603 6.721 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.773 5.521 -13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.435 7.418 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.261 6.029 -15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.065 7.191 -14.289 1.00 0.00 H new ATOM 220 N SER A 17 -4.671 3.208 -8.352 1.00 0.00 N ATOM 221 CA SER A 17 -4.675 1.921 -7.664 1.00 0.00 C ATOM 222 C SER A 17 -3.269 1.331 -7.608 1.00 0.00 C ATOM 223 O SER A 17 -2.405 1.677 -8.415 1.00 0.00 O ATOM 224 CB SER A 17 -5.622 0.947 -8.367 1.00 0.00 C ATOM 225 OG SER A 17 -5.052 0.460 -9.570 1.00 0.00 O ATOM 0 H SER A 17 -3.841 3.381 -8.919 1.00 0.00 H new ATOM 0 HA SER A 17 -5.023 2.082 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.848 0.112 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.566 1.446 -8.584 1.00 0.00 H new ATOM 0 HG SER A 17 -5.676 -0.162 -9.999 1.00 0.00 H new ATOM 231 N VAL A 18 -3.047 0.438 -6.649 1.00 0.00 N ATOM 232 CA VAL A 18 -1.747 -0.202 -6.487 1.00 0.00 C ATOM 233 C VAL A 18 -1.876 -1.721 -6.506 1.00 0.00 C ATOM 234 O VAL A 18 -2.981 -2.259 -6.567 1.00 0.00 O ATOM 235 CB VAL A 18 -1.069 0.228 -5.172 1.00 0.00 C ATOM 236 CG1 VAL A 18 -1.000 1.745 -5.079 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.808 -0.354 -3.977 1.00 0.00 C ATOM 0 H VAL A 18 -3.750 0.141 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.130 0.118 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.050 -0.160 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.518 2.031 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.424 2.135 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.008 2.158 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.316 -0.040 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.838 0.003 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.801 -1.442 -4.039 1.00 0.00 H new ATOM 247 N SER A 19 -0.739 -2.407 -6.453 1.00 0.00 N ATOM 248 CA SER A 19 -0.724 -3.865 -6.467 1.00 0.00 C ATOM 249 C SER A 19 0.453 -4.404 -5.660 1.00 0.00 C ATOM 250 O SER A 19 1.594 -3.981 -5.846 1.00 0.00 O ATOM 251 CB SER A 19 -0.650 -4.381 -7.905 1.00 0.00 C ATOM 252 OG SER A 19 0.677 -4.327 -8.399 1.00 0.00 O ATOM 0 H SER A 19 0.184 -1.976 -6.400 1.00 0.00 H new ATOM 0 HA SER A 19 -1.648 -4.218 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.015 -5.407 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.303 -3.785 -8.542 1.00 0.00 H new ATOM 0 HG SER A 19 1.285 -4.069 -7.675 1.00 0.00 H new ATOM 258 N VAL A 20 0.167 -5.342 -4.762 1.00 0.00 N ATOM 259 CA VAL A 20 1.201 -5.941 -3.927 1.00 0.00 C ATOM 260 C VAL A 20 0.865 -7.390 -3.591 1.00 0.00 C ATOM 261 O VAL A 20 -0.129 -7.935 -4.071 1.00 0.00 O ATOM 262 CB VAL A 20 1.390 -5.154 -2.617 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.382 -4.017 -2.815 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.055 -4.625 -2.116 1.00 0.00 C ATOM 0 H VAL A 20 -0.772 -5.703 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 20 2.128 -5.909 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 20 1.794 -5.830 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.503 -3.472 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.345 -4.424 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.010 -3.339 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.208 -4.071 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.379 -3.964 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.622 -5.460 -1.933 1.00 0.00 H new ATOM 274 N ALA A 21 1.700 -8.009 -2.764 1.00 0.00 N ATOM 275 CA ALA A 21 1.491 -9.395 -2.362 1.00 0.00 C ATOM 276 C ALA A 21 1.596 -9.549 -0.849 1.00 0.00 C ATOM 277 O ALA A 21 2.447 -8.931 -0.210 1.00 0.00 O ATOM 278 CB ALA A 21 2.494 -10.303 -3.058 1.00 0.00 C ATOM 0 H ALA A 21 2.528 -7.573 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 21 0.484 -9.687 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.327 -11.335 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.369 -10.223 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.506 -10.003 -2.787 1.00 0.00 H new ATOM 284 N ALA A 22 0.725 -10.377 -0.281 1.00 0.00 N ATOM 285 CA ALA A 22 0.721 -10.613 1.157 1.00 0.00 C ATOM 286 C ALA A 22 2.142 -10.711 1.701 1.00 0.00 C ATOM 287 O ALA A 22 2.810 -11.731 1.541 1.00 0.00 O ATOM 288 CB ALA A 22 -0.059 -11.879 1.482 1.00 0.00 C ATOM 0 H ALA A 22 0.013 -10.896 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 22 0.233 -9.765 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.054 -12.043 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.087 -11.772 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.405 -12.730 0.983 1.00 0.00 H new ATOM 294 N GLY A 23 2.599 -9.641 2.346 1.00 0.00 N ATOM 295 CA GLY A 23 3.939 -9.626 2.903 1.00 0.00 C ATOM 296 C GLY A 23 4.839 -8.615 2.222 1.00 0.00 C ATOM 297 O GLY A 23 6.029 -8.531 2.525 1.00 0.00 O ATOM 0 H GLY A 23 2.065 -8.785 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.884 -9.399 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.379 -10.619 2.811 1.00 0.00 H new ATOM 301 N GLU A 24 4.270 -7.845 1.299 1.00 0.00 N ATOM 302 CA GLU A 24 5.031 -6.836 0.572 1.00 0.00 C ATOM 303 C GLU A 24 4.743 -5.440 1.117 1.00 0.00 C ATOM 304 O GLU A 24 3.989 -5.280 2.077 1.00 0.00 O ATOM 305 CB GLU A 24 4.699 -6.891 -0.920 1.00 0.00 C ATOM 306 CG GLU A 24 5.129 -8.184 -1.592 1.00 0.00 C ATOM 307 CD GLU A 24 6.628 -8.405 -1.527 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.361 -7.727 -2.277 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.067 -9.256 -0.725 1.00 0.00 O ATOM 0 H GLU A 24 3.286 -7.901 1.038 1.00 0.00 H new ATOM 0 HA GLU A 24 6.091 -7.049 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.624 -6.764 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.182 -6.052 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.621 -9.023 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.813 -8.170 -2.635 1.00 0.00 H new ATOM 316 N SER A 25 5.349 -4.432 0.498 1.00 0.00 N ATOM 317 CA SER A 25 5.162 -3.050 0.922 1.00 0.00 C ATOM 318 C SER A 25 4.361 -2.267 -0.113 1.00 0.00 C ATOM 319 O SER A 25 4.801 -2.088 -1.248 1.00 0.00 O ATOM 320 CB SER A 25 6.517 -2.377 1.151 1.00 0.00 C ATOM 321 OG SER A 25 7.322 -2.442 -0.013 1.00 0.00 O ATOM 0 H SER A 25 5.974 -4.547 -0.300 1.00 0.00 H new ATOM 0 HA SER A 25 4.604 -3.056 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.366 -1.335 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.032 -2.862 1.980 1.00 0.00 H new ATOM 0 HG SER A 25 6.748 -2.461 -0.807 1.00 0.00 H new ATOM 327 N ALA A 26 3.181 -1.804 0.287 1.00 0.00 N ATOM 328 CA ALA A 26 2.318 -1.039 -0.604 1.00 0.00 C ATOM 329 C ALA A 26 2.611 0.454 -0.503 1.00 0.00 C ATOM 330 O ALA A 26 2.591 1.029 0.586 1.00 0.00 O ATOM 331 CB ALA A 26 0.856 -1.315 -0.288 1.00 0.00 C ATOM 0 H ALA A 26 2.801 -1.946 1.223 1.00 0.00 H new ATOM 0 HA ALA A 26 2.522 -1.354 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.223 -0.737 -0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.650 -2.377 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.646 -1.029 0.743 1.00 0.00 H new ATOM 337 N THR A 27 2.882 1.078 -1.645 1.00 0.00 N ATOM 338 CA THR A 27 3.180 2.504 -1.685 1.00 0.00 C ATOM 339 C THR A 27 1.960 3.309 -2.115 1.00 0.00 C ATOM 340 O THR A 27 1.481 3.176 -3.243 1.00 0.00 O ATOM 341 CB THR A 27 4.346 2.807 -2.645 1.00 0.00 C ATOM 342 OG1 THR A 27 5.480 2.000 -2.310 1.00 0.00 O ATOM 343 CG2 THR A 27 4.729 4.278 -2.584 1.00 0.00 C ATOM 0 H THR A 27 2.901 0.618 -2.555 1.00 0.00 H new ATOM 0 HA THR A 27 3.466 2.796 -0.674 1.00 0.00 H new ATOM 0 HB THR A 27 4.022 2.574 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.216 2.198 -2.926 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.554 4.468 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.872 4.889 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.035 4.533 -1.569 1.00 0.00 H new ATOM 351 N LEU A 28 1.460 4.145 -1.212 1.00 0.00 N ATOM 352 CA LEU A 28 0.294 4.974 -1.499 1.00 0.00 C ATOM 353 C LEU A 28 0.705 6.418 -1.766 1.00 0.00 C ATOM 354 O LEU A 28 0.984 7.177 -0.837 1.00 0.00 O ATOM 355 CB LEU A 28 -0.694 4.920 -0.332 1.00 0.00 C ATOM 356 CG LEU A 28 -1.047 3.525 0.185 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.940 3.621 1.412 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.721 2.707 -0.906 1.00 0.00 C ATOM 0 H LEU A 28 1.844 4.267 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.189 4.582 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.281 5.498 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.615 5.416 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.125 3.020 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.181 2.619 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.420 4.168 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.860 4.145 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.965 1.717 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.635 3.208 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.046 2.609 -1.756 1.00 0.00 H new ATOM 370 N ARG A 29 0.738 6.792 -3.041 1.00 0.00 N ATOM 371 CA ARG A 29 1.113 8.146 -3.431 1.00 0.00 C ATOM 372 C ARG A 29 0.071 9.156 -2.960 1.00 0.00 C ATOM 373 O ARG A 29 -1.126 8.867 -2.942 1.00 0.00 O ATOM 374 CB ARG A 29 1.277 8.236 -4.949 1.00 0.00 C ATOM 375 CG ARG A 29 2.665 7.855 -5.436 1.00 0.00 C ATOM 376 CD ARG A 29 2.823 8.110 -6.926 1.00 0.00 C ATOM 377 NE ARG A 29 4.094 7.603 -7.437 1.00 0.00 N ATOM 378 CZ ARG A 29 5.263 8.191 -7.211 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.323 9.300 -6.487 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.377 7.669 -7.710 1.00 0.00 N ATOM 0 H ARG A 29 0.510 6.176 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 29 2.065 8.383 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.543 7.585 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.055 9.254 -5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.414 8.426 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.849 6.802 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.002 7.637 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.756 9.181 -7.120 1.00 0.00 H new ATOM 0 HE ARG A 29 4.083 6.751 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.470 9.704 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.223 9.749 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.335 6.816 -8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.275 8.121 -7.536 1.00 0.00 H new ATOM 394 N CYS A 30 0.534 10.342 -2.578 1.00 0.00 N ATOM 395 CA CYS A 30 -0.357 11.395 -2.106 1.00 0.00 C ATOM 396 C CYS A 30 0.383 12.726 -1.999 1.00 0.00 C ATOM 397 O CYS A 30 1.415 12.822 -1.336 1.00 0.00 O ATOM 398 CB CYS A 30 -0.950 11.019 -0.747 1.00 0.00 C ATOM 399 SG CYS A 30 -2.088 12.266 -0.062 1.00 0.00 S ATOM 0 H CYS A 30 1.521 10.598 -2.586 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.165 11.505 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.481 10.072 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.137 10.857 -0.040 1.00 0.00 H new ATOM 404 N ALA A 31 -0.152 13.748 -2.657 1.00 0.00 N ATOM 405 CA ALA A 31 0.455 15.073 -2.635 1.00 0.00 C ATOM 406 C ALA A 31 -0.609 16.164 -2.580 1.00 0.00 C ATOM 407 O ALA A 31 -1.749 15.953 -2.993 1.00 0.00 O ATOM 408 CB ALA A 31 1.348 15.265 -3.852 1.00 0.00 C ATOM 0 H ALA A 31 -1.005 13.684 -3.212 1.00 0.00 H new ATOM 0 HA ALA A 31 1.065 15.151 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.795 16.259 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.137 14.512 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.753 15.161 -4.760 1.00 0.00 H new ATOM 414 N MET A 32 -0.230 17.329 -2.066 1.00 0.00 N ATOM 415 CA MET A 32 -1.153 18.454 -1.958 1.00 0.00 C ATOM 416 C MET A 32 -0.717 19.604 -2.860 1.00 0.00 C ATOM 417 O MET A 32 0.471 19.914 -2.958 1.00 0.00 O ATOM 418 CB MET A 32 -1.239 18.932 -0.507 1.00 0.00 C ATOM 419 CG MET A 32 -1.688 17.852 0.463 1.00 0.00 C ATOM 420 SD MET A 32 -3.281 17.135 0.016 1.00 0.00 S ATOM 421 CE MET A 32 -3.115 15.488 0.700 1.00 0.00 C ATOM 0 H MET A 32 0.710 17.519 -1.718 1.00 0.00 H new ATOM 0 HA MET A 32 -2.138 18.117 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.262 19.304 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.932 19.771 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.936 17.064 0.497 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.753 18.274 1.466 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.768 14.802 0.160 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.081 15.157 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.395 15.502 1.753 1.00 0.00 H new ATOM 431 N THR A 33 -1.685 20.233 -3.518 1.00 0.00 N ATOM 432 CA THR A 33 -1.401 21.348 -4.413 1.00 0.00 C ATOM 433 C THR A 33 -0.971 22.585 -3.632 1.00 0.00 C ATOM 434 O THR A 33 -0.590 23.598 -4.217 1.00 0.00 O ATOM 435 CB THR A 33 -2.626 21.701 -5.278 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.679 22.208 -4.451 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.118 20.481 -6.043 1.00 0.00 C ATOM 0 H THR A 33 -2.673 19.989 -3.448 1.00 0.00 H new ATOM 0 HA THR A 33 -0.586 21.031 -5.063 1.00 0.00 H new ATOM 0 HB THR A 33 -2.328 22.465 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.454 22.432 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.983 20.755 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.324 20.114 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.400 19.699 -5.338 1.00 0.00 H new ATOM 445 N SER A 34 -1.035 22.494 -2.308 1.00 0.00 N ATOM 446 CA SER A 34 -0.655 23.607 -1.446 1.00 0.00 C ATOM 447 C SER A 34 -0.696 23.196 0.022 1.00 0.00 C ATOM 448 O SER A 34 -1.194 22.123 0.365 1.00 0.00 O ATOM 449 CB SER A 34 -1.583 24.800 -1.680 1.00 0.00 C ATOM 450 OG SER A 34 -0.933 26.021 -1.371 1.00 0.00 O ATOM 0 H SER A 34 -1.346 21.661 -1.809 1.00 0.00 H new ATOM 0 HA SER A 34 0.366 23.896 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.910 24.812 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.477 24.695 -1.066 1.00 0.00 H new ATOM 0 HG SER A 34 -1.547 26.768 -1.531 1.00 0.00 H new ATOM 456 N LEU A 35 -0.169 24.058 0.886 1.00 0.00 N ATOM 457 CA LEU A 35 -0.145 23.786 2.319 1.00 0.00 C ATOM 458 C LEU A 35 -1.318 24.462 3.022 1.00 0.00 C ATOM 459 O LEU A 35 -1.612 24.169 4.181 1.00 0.00 O ATOM 460 CB LEU A 35 1.174 24.267 2.927 1.00 0.00 C ATOM 461 CG LEU A 35 2.437 23.559 2.435 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.654 24.453 2.615 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.629 22.239 3.168 1.00 0.00 C ATOM 0 H LEU A 35 0.247 24.950 0.619 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.233 22.709 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.277 25.333 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.115 24.152 4.009 1.00 0.00 H new ATOM 0 HG LEU A 35 2.321 23.347 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.543 23.933 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.518 25.372 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.774 24.696 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.533 21.749 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.723 22.427 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.769 21.594 2.987 1.00 0.00 H new ATOM 475 N ILE A 36 -1.985 25.366 2.311 1.00 0.00 N ATOM 476 CA ILE A 36 -3.128 26.080 2.866 1.00 0.00 C ATOM 477 C ILE A 36 -4.437 25.559 2.284 1.00 0.00 C ATOM 478 O ILE A 36 -4.565 25.336 1.080 1.00 0.00 O ATOM 479 CB ILE A 36 -3.028 27.594 2.601 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.661 28.122 3.041 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.145 28.333 3.322 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.279 27.712 4.446 1.00 0.00 C ATOM 0 H ILE A 36 -1.754 25.621 1.351 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.117 25.906 3.942 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.136 27.768 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.901 27.763 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.663 29.210 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.061 29.402 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.110 27.973 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.066 28.155 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.299 28.121 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.018 28.094 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.245 26.624 4.511 1.00 0.00 H new ATOM 494 N PRO A 37 -5.436 25.361 3.158 1.00 0.00 N ATOM 495 CA PRO A 37 -5.295 25.623 4.593 1.00 0.00 C ATOM 496 C PRO A 37 -4.368 24.624 5.277 1.00 0.00 C ATOM 497 O PRO A 37 -4.318 23.452 4.902 1.00 0.00 O ATOM 498 CB PRO A 37 -6.724 25.476 5.122 1.00 0.00 C ATOM 499 CG PRO A 37 -7.397 24.570 4.150 1.00 0.00 C ATOM 500 CD PRO A 37 -6.779 24.867 2.811 1.00 0.00 C ATOM 0 HA PRO A 37 -4.852 26.600 4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.733 25.055 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.227 26.441 5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.251 23.525 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.472 24.747 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.730 23.976 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.352 25.613 2.260 1.00 0.00 H new ATOM 508 N VAL A 38 -3.637 25.094 6.282 1.00 0.00 N ATOM 509 CA VAL A 38 -2.713 24.241 7.019 1.00 0.00 C ATOM 510 C VAL A 38 -3.445 23.075 7.675 1.00 0.00 C ATOM 511 O VAL A 38 -4.613 23.190 8.043 1.00 0.00 O ATOM 512 CB VAL A 38 -1.959 25.034 8.103 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.904 25.431 9.228 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.789 24.224 8.640 1.00 0.00 C ATOM 0 H VAL A 38 -3.667 26.061 6.605 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.994 23.855 6.296 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.564 25.945 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.354 25.990 9.985 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.705 26.053 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.331 24.535 9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.268 24.800 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.158 23.295 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.101 23.995 7.826 1.00 0.00 H new ATOM 524 N GLY A 39 -2.749 21.951 7.817 1.00 0.00 N ATOM 525 CA GLY A 39 -3.349 20.780 8.429 1.00 0.00 C ATOM 526 C GLY A 39 -2.516 19.529 8.227 1.00 0.00 C ATOM 527 O GLY A 39 -1.801 19.387 7.235 1.00 0.00 O ATOM 0 H GLY A 39 -1.781 21.831 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.479 20.958 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.342 20.623 8.009 1.00 0.00 H new ATOM 531 N PRO A 40 -2.600 18.596 9.187 1.00 0.00 N ATOM 532 CA PRO A 40 -1.854 17.336 9.133 1.00 0.00 C ATOM 533 C PRO A 40 -2.370 16.402 8.043 1.00 0.00 C ATOM 534 O PRO A 40 -3.181 16.800 7.206 1.00 0.00 O ATOM 535 CB PRO A 40 -2.090 16.724 10.517 1.00 0.00 C ATOM 536 CG PRO A 40 -3.380 17.312 10.975 1.00 0.00 C ATOM 537 CD PRO A 40 -3.432 18.699 10.398 1.00 0.00 C ATOM 0 HA PRO A 40 -0.802 17.496 8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.147 15.637 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.278 16.968 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.225 16.715 10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.431 17.340 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.453 18.997 10.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.038 19.439 11.095 1.00 0.00 H new ATOM 545 N ILE A 41 -1.896 15.161 8.061 1.00 0.00 N ATOM 546 CA ILE A 41 -2.312 14.171 7.074 1.00 0.00 C ATOM 547 C ILE A 41 -2.688 12.853 7.743 1.00 0.00 C ATOM 548 O ILE A 41 -1.939 12.327 8.565 1.00 0.00 O ATOM 549 CB ILE A 41 -1.204 13.910 6.037 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.807 15.215 5.343 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.665 12.880 5.017 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.882 15.766 4.433 1.00 0.00 C ATOM 0 H ILE A 41 -1.224 14.817 8.747 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.185 14.580 6.565 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.329 13.515 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.566 15.961 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.099 15.047 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.871 12.706 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.903 11.946 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.552 13.249 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.532 16.691 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.107 15.038 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.782 15.967 5.014 1.00 0.00 H new ATOM 564 N MET A 42 -3.853 12.325 7.383 1.00 0.00 N ATOM 565 CA MET A 42 -4.327 11.066 7.945 1.00 0.00 C ATOM 566 C MET A 42 -4.916 10.172 6.859 1.00 0.00 C ATOM 567 O MET A 42 -5.791 10.593 6.102 1.00 0.00 O ATOM 568 CB MET A 42 -5.375 11.329 9.029 1.00 0.00 C ATOM 569 CG MET A 42 -4.794 11.911 10.307 1.00 0.00 C ATOM 570 SD MET A 42 -6.025 12.082 11.614 1.00 0.00 S ATOM 571 CE MET A 42 -5.585 13.682 12.286 1.00 0.00 C ATOM 0 H MET A 42 -4.486 12.749 6.705 1.00 0.00 H new ATOM 0 HA MET A 42 -3.475 10.553 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.127 12.013 8.637 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.885 10.395 9.264 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.984 11.272 10.658 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.359 12.887 10.092 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.599 13.636 13.375 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.586 13.957 11.948 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.302 14.429 11.945 1.00 0.00 H new ATOM 581 N TRP A 43 -4.430 8.938 6.787 1.00 0.00 N ATOM 582 CA TRP A 43 -4.909 7.985 5.792 1.00 0.00 C ATOM 583 C TRP A 43 -6.065 7.158 6.342 1.00 0.00 C ATOM 584 O TRP A 43 -6.103 6.840 7.531 1.00 0.00 O ATOM 585 CB TRP A 43 -3.771 7.064 5.349 1.00 0.00 C ATOM 586 CG TRP A 43 -2.825 7.709 4.383 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.736 8.474 4.689 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.887 7.648 2.953 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.116 8.892 3.536 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.802 8.398 2.458 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.751 7.032 2.045 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.562 8.547 1.094 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.511 7.181 0.692 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.424 7.933 0.227 1.00 0.00 C ATOM 0 H TRP A 43 -3.705 8.574 7.405 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.268 8.547 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.215 6.738 6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.194 6.171 4.890 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.410 8.715 5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.281 9.475 3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.591 6.450 2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.725 9.127 0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.173 6.710 -0.019 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.263 8.030 -0.837 1.00 0.00 H new ATOM 605 N PHE A 44 -7.007 6.811 5.471 1.00 0.00 N ATOM 606 CA PHE A 44 -8.165 6.021 5.871 1.00 0.00 C ATOM 607 C PHE A 44 -8.654 5.150 4.717 1.00 0.00 C ATOM 608 O PHE A 44 -8.773 5.614 3.583 1.00 0.00 O ATOM 609 CB PHE A 44 -9.294 6.937 6.348 1.00 0.00 C ATOM 610 CG PHE A 44 -8.926 7.769 7.543 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.099 7.278 8.826 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.408 9.044 7.382 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.762 8.041 9.928 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.068 9.812 8.479 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.246 9.311 9.754 1.00 0.00 C ATOM 0 H PHE A 44 -6.991 7.065 4.483 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.864 5.370 6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.585 7.597 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.165 6.329 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.502 6.286 8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.268 9.442 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.902 7.645 10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.663 10.804 8.340 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.982 9.911 10.613 1.00 0.00 H new ATOM 625 N ARG A 45 -8.936 3.886 5.016 1.00 0.00 N ATOM 626 CA ARG A 45 -9.410 2.950 4.004 1.00 0.00 C ATOM 627 C ARG A 45 -10.886 2.625 4.213 1.00 0.00 C ATOM 628 O ARG A 45 -11.264 2.025 5.218 1.00 0.00 O ATOM 629 CB ARG A 45 -8.584 1.663 4.042 1.00 0.00 C ATOM 630 CG ARG A 45 -9.045 0.613 3.044 1.00 0.00 C ATOM 631 CD ARG A 45 -8.772 -0.795 3.551 1.00 0.00 C ATOM 632 NE ARG A 45 -9.425 -1.052 4.831 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.604 -2.268 5.334 1.00 0.00 C ATOM 634 NH1 ARG A 45 -9.179 -3.333 4.668 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.207 -2.421 6.506 1.00 0.00 N ATOM 0 H ARG A 45 -8.844 3.487 5.950 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.293 3.420 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.540 1.906 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.629 1.242 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.112 0.732 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.534 0.764 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.120 -1.519 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.697 -0.940 3.657 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.762 -0.254 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.714 -3.219 3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.317 -4.266 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.534 -1.604 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.344 -3.356 6.891 1.00 0.00 H new ATOM 649 N GLY A 46 -11.717 3.027 3.255 1.00 0.00 N ATOM 650 CA GLY A 46 -13.142 2.771 3.354 1.00 0.00 C ATOM 651 C GLY A 46 -13.923 3.996 3.786 1.00 0.00 C ATOM 652 O GLY A 46 -14.889 3.890 4.541 1.00 0.00 O ATOM 0 H GLY A 46 -11.428 3.525 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.514 2.429 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.314 1.964 4.066 1.00 0.00 H new ATOM 656 N ALA A 47 -13.502 5.163 3.308 1.00 0.00 N ATOM 657 CA ALA A 47 -14.169 6.413 3.649 1.00 0.00 C ATOM 658 C ALA A 47 -15.677 6.217 3.768 1.00 0.00 C ATOM 659 O ALA A 47 -16.276 5.457 3.008 1.00 0.00 O ATOM 660 CB ALA A 47 -13.855 7.480 2.610 1.00 0.00 C ATOM 0 H ALA A 47 -12.702 5.268 2.684 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.794 6.743 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.360 8.408 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.779 7.649 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.201 7.148 1.631 1.00 0.00 H new ATOM 690 N ARG A 51 -14.458 3.848 7.969 1.00 0.00 N ATOM 691 CA ARG A 51 -13.063 3.884 7.548 1.00 0.00 C ATOM 692 C ARG A 51 -12.131 3.637 8.730 1.00 0.00 C ATOM 693 O ARG A 51 -12.349 4.158 9.823 1.00 0.00 O ATOM 694 CB ARG A 51 -12.739 5.233 6.902 1.00 0.00 C ATOM 695 CG ARG A 51 -12.722 6.391 7.886 1.00 0.00 C ATOM 696 CD ARG A 51 -12.758 7.731 7.170 1.00 0.00 C ATOM 697 NE ARG A 51 -13.154 8.818 8.061 1.00 0.00 N ATOM 698 CZ ARG A 51 -12.872 10.096 7.833 1.00 0.00 C ATOM 699 NH1 ARG A 51 -12.197 10.445 6.747 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.267 11.027 8.692 1.00 0.00 N ATOM 0 HA ARG A 51 -12.910 3.091 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.767 5.168 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.474 5.439 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.578 6.313 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.826 6.332 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.774 7.945 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.455 7.676 6.333 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.676 8.583 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.893 9.732 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.982 11.427 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.788 10.762 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.050 12.008 8.516 1.00 0.00 H new ATOM 714 N GLU A 52 -11.094 2.838 8.503 1.00 0.00 N ATOM 715 CA GLU A 52 -10.130 2.521 9.550 1.00 0.00 C ATOM 716 C GLU A 52 -8.856 3.344 9.385 1.00 0.00 C ATOM 717 O GLU A 52 -8.232 3.337 8.323 1.00 0.00 O ATOM 718 CB GLU A 52 -9.792 1.028 9.529 1.00 0.00 C ATOM 719 CG GLU A 52 -8.936 0.581 10.702 1.00 0.00 C ATOM 720 CD GLU A 52 -9.714 0.522 12.002 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.830 1.569 12.673 1.00 0.00 O ATOM 722 OE2 GLU A 52 -10.206 -0.572 12.349 1.00 0.00 O ATOM 0 H GLU A 52 -10.900 2.398 7.603 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.581 2.771 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.719 0.454 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.271 0.795 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.518 -0.403 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.096 1.266 10.816 1.00 0.00 H new ATOM 729 N LEU A 53 -8.476 4.054 10.442 1.00 0.00 N ATOM 730 CA LEU A 53 -7.277 4.884 10.415 1.00 0.00 C ATOM 731 C LEU A 53 -6.051 4.057 10.042 1.00 0.00 C ATOM 732 O LEU A 53 -5.681 3.121 10.753 1.00 0.00 O ATOM 733 CB LEU A 53 -7.063 5.549 11.776 1.00 0.00 C ATOM 734 CG LEU A 53 -5.795 6.391 11.919 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.760 7.487 10.866 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.706 6.988 13.316 1.00 0.00 C ATOM 0 H LEU A 53 -8.981 4.071 11.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.416 5.656 9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.923 6.185 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.047 4.771 12.540 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.932 5.742 11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.850 8.076 10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.776 7.038 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.629 8.134 10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.797 7.584 13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.574 7.622 13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.683 6.186 14.054 1.00 0.00 H new ATOM 748 N ILE A 54 -5.423 4.409 8.925 1.00 0.00 N ATOM 749 CA ILE A 54 -4.237 3.702 8.461 1.00 0.00 C ATOM 750 C ILE A 54 -2.964 4.360 8.983 1.00 0.00 C ATOM 751 O ILE A 54 -2.057 3.684 9.468 1.00 0.00 O ATOM 752 CB ILE A 54 -4.179 3.648 6.923 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.422 2.948 6.368 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.915 2.937 6.464 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.572 1.519 6.842 1.00 0.00 C ATOM 0 H ILE A 54 -5.716 5.180 8.325 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.304 2.686 8.850 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.157 4.668 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.308 3.513 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.379 2.959 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.889 2.907 5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.041 3.474 6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.908 1.920 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.474 1.085 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.704 0.939 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.647 1.502 7.929 1.00 0.00 H new ATOM 767 N TYR A 55 -2.905 5.683 8.882 1.00 0.00 N ATOM 768 CA TYR A 55 -1.743 6.434 9.343 1.00 0.00 C ATOM 769 C TYR A 55 -2.153 7.811 9.856 1.00 0.00 C ATOM 770 O TYR A 55 -3.095 8.419 9.349 1.00 0.00 O ATOM 771 CB TYR A 55 -0.723 6.581 8.213 1.00 0.00 C ATOM 772 CG TYR A 55 0.529 7.323 8.621 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.533 6.688 9.342 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.709 8.659 8.287 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.679 7.362 9.718 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.852 9.341 8.657 1.00 0.00 C ATOM 777 CZ TYR A 55 2.834 8.688 9.373 1.00 0.00 C ATOM 778 OH TYR A 55 3.974 9.364 9.744 1.00 0.00 O ATOM 0 H TYR A 55 -3.648 6.258 8.485 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.287 5.881 10.164 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.447 5.590 7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.190 7.105 7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.415 5.649 9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.058 9.174 7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.449 6.853 10.279 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.976 10.379 8.387 1.00 0.00 H new ATOM 0 HH TYR A 55 3.926 10.288 9.422 1.00 0.00 H new ATOM 788 N ASN A 56 -1.437 8.297 10.865 1.00 0.00 N ATOM 789 CA ASN A 56 -1.725 9.602 11.448 1.00 0.00 C ATOM 790 C ASN A 56 -0.440 10.394 11.671 1.00 0.00 C ATOM 791 O ASN A 56 0.404 10.009 12.480 1.00 0.00 O ATOM 792 CB ASN A 56 -2.474 9.439 12.772 1.00 0.00 C ATOM 793 CG ASN A 56 -3.373 10.620 13.078 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.548 10.452 13.405 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.824 11.825 12.972 1.00 0.00 N ATOM 0 H ASN A 56 -0.653 7.806 11.296 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.354 10.153 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.073 8.529 12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.754 9.315 13.581 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.381 12.658 13.165 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.846 11.917 12.698 1.00 0.00 H new ATOM 802 N GLN A 57 -0.301 11.500 10.949 1.00 0.00 N ATOM 803 CA GLN A 57 0.881 12.346 11.068 1.00 0.00 C ATOM 804 C GLN A 57 0.924 13.032 12.429 1.00 0.00 C ATOM 805 O GLN A 57 1.961 13.056 13.093 1.00 0.00 O ATOM 806 CB GLN A 57 0.900 13.394 9.954 1.00 0.00 C ATOM 807 CG GLN A 57 2.267 14.019 9.729 1.00 0.00 C ATOM 808 CD GLN A 57 2.388 14.684 8.372 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.844 14.199 7.379 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.104 15.801 8.322 1.00 0.00 N ATOM 0 H GLN A 57 -0.991 11.832 10.276 1.00 0.00 H new ATOM 0 HA GLN A 57 1.762 11.711 10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.564 12.931 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.185 14.181 10.195 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.458 14.756 10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.034 13.250 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.537 16.167 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.221 16.293 7.436 1.00 0.00 H new ATOM 819 N LYS A 58 -0.209 13.592 12.840 1.00 0.00 N ATOM 820 CA LYS A 58 -0.302 14.279 14.123 1.00 0.00 C ATOM 821 C LYS A 58 0.437 13.505 15.210 1.00 0.00 C ATOM 822 O LYS A 58 1.354 14.029 15.842 1.00 0.00 O ATOM 823 CB LYS A 58 -1.769 14.463 14.521 1.00 0.00 C ATOM 824 CG LYS A 58 -1.954 15.037 15.915 1.00 0.00 C ATOM 825 CD LYS A 58 -1.497 16.484 15.987 1.00 0.00 C ATOM 826 CE LYS A 58 -2.632 17.443 15.662 1.00 0.00 C ATOM 827 NZ LYS A 58 -2.239 18.862 15.884 1.00 0.00 N ATOM 0 H LYS A 58 -1.076 13.583 12.303 1.00 0.00 H new ATOM 0 HA LYS A 58 0.165 15.258 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.253 15.121 13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.276 13.500 14.464 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.004 14.971 16.200 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.391 14.440 16.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.114 16.697 16.985 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.674 16.642 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.935 17.308 14.624 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.497 17.205 16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.039 19.484 15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.974 18.997 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.429 19.097 15.275 1.00 0.00 H new ATOM 841 N GLU A 59 0.033 12.256 15.420 1.00 0.00 N ATOM 842 CA GLU A 59 0.659 11.411 16.430 1.00 0.00 C ATOM 843 C GLU A 59 0.345 9.939 16.179 1.00 0.00 C ATOM 844 O GLU A 59 -0.561 9.608 15.416 1.00 0.00 O ATOM 845 CB GLU A 59 0.184 11.814 17.828 1.00 0.00 C ATOM 846 CG GLU A 59 -1.318 11.688 18.021 1.00 0.00 C ATOM 847 CD GLU A 59 -1.709 11.547 19.480 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.589 10.427 20.020 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.134 12.555 20.080 1.00 0.00 O ATOM 0 H GLU A 59 -0.724 11.807 14.905 1.00 0.00 H new ATOM 0 HA GLU A 59 1.738 11.550 16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.690 11.193 18.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.481 12.845 18.020 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.809 12.565 17.600 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.681 10.823 17.466 1.00 0.00 H new ATOM 856 N GLY A 60 1.103 9.060 16.827 1.00 0.00 N ATOM 857 CA GLY A 60 0.892 7.634 16.660 1.00 0.00 C ATOM 858 C GLY A 60 2.116 6.926 16.114 1.00 0.00 C ATOM 859 O GLY A 60 2.667 7.325 15.087 1.00 0.00 O ATOM 0 H GLY A 60 1.859 9.310 17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.621 7.195 17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.051 7.471 15.986 1.00 0.00 H new ATOM 863 N HIS A 61 2.546 5.873 16.802 1.00 0.00 N ATOM 864 CA HIS A 61 3.714 5.109 16.381 1.00 0.00 C ATOM 865 C HIS A 61 3.333 4.066 15.334 1.00 0.00 C ATOM 866 O HIS A 61 2.614 3.110 15.628 1.00 0.00 O ATOM 867 CB HIS A 61 4.365 4.426 17.584 1.00 0.00 C ATOM 868 CG HIS A 61 5.765 3.963 17.325 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.206 3.555 16.084 1.00 0.00 N ATOM 870 CD2 HIS A 61 6.827 3.846 18.156 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.477 3.205 16.163 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.879 3.373 17.410 1.00 0.00 N ATOM 0 H HIS A 61 2.102 5.530 17.654 1.00 0.00 H new ATOM 0 HA HIS A 61 4.428 5.802 15.936 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.370 5.119 18.426 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.757 3.571 17.879 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.844 4.081 19.210 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.084 2.843 15.347 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.817 3.183 17.762 1.00 0.00 H new ATOM 881 N PHE A 62 3.818 4.256 14.112 1.00 0.00 N ATOM 882 CA PHE A 62 3.526 3.333 13.021 1.00 0.00 C ATOM 883 C PHE A 62 4.810 2.728 12.463 1.00 0.00 C ATOM 884 O PHE A 62 5.500 3.325 11.637 1.00 0.00 O ATOM 885 CB PHE A 62 2.762 4.052 11.907 1.00 0.00 C ATOM 886 CG PHE A 62 1.398 4.524 12.324 1.00 0.00 C ATOM 887 CD1 PHE A 62 1.229 5.772 12.903 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.285 3.720 12.138 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.024 6.210 13.287 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.971 4.153 12.520 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.125 5.398 13.096 1.00 0.00 C ATOM 0 H PHE A 62 4.415 5.041 13.852 1.00 0.00 H new ATOM 0 HA PHE A 62 2.907 2.528 13.416 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.347 4.908 11.570 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.660 3.380 11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.087 6.410 13.056 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.400 2.744 11.690 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.142 7.185 13.736 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.831 3.518 12.368 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.105 5.737 13.397 1.00 0.00 H new ATOM 901 N PRO A 63 5.140 1.512 12.925 1.00 0.00 N ATOM 902 CA PRO A 63 6.343 0.798 12.487 1.00 0.00 C ATOM 903 C PRO A 63 6.243 0.328 11.040 1.00 0.00 C ATOM 904 O PRO A 63 7.158 0.541 10.243 1.00 0.00 O ATOM 905 CB PRO A 63 6.409 -0.401 13.435 1.00 0.00 C ATOM 906 CG PRO A 63 5.001 -0.620 13.868 1.00 0.00 C ATOM 907 CD PRO A 63 4.364 0.742 13.911 1.00 0.00 C ATOM 0 HA PRO A 63 7.228 1.433 12.519 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.810 -1.281 12.933 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.058 -0.197 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.476 -1.274 13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.964 -1.099 14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.307 0.700 13.647 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.427 1.184 14.905 1.00 0.00 H new ATOM 915 N ARG A 64 5.126 -0.310 10.706 1.00 0.00 N ATOM 916 CA ARG A 64 4.908 -0.811 9.354 1.00 0.00 C ATOM 917 C ARG A 64 4.947 0.328 8.340 1.00 0.00 C ATOM 918 O ARG A 64 5.541 0.200 7.269 1.00 0.00 O ATOM 919 CB ARG A 64 3.565 -1.539 9.268 1.00 0.00 C ATOM 920 CG ARG A 64 3.582 -2.925 9.893 1.00 0.00 C ATOM 921 CD ARG A 64 2.215 -3.585 9.821 1.00 0.00 C ATOM 922 NE ARG A 64 1.198 -2.818 10.536 1.00 0.00 N ATOM 923 CZ ARG A 64 0.047 -3.333 10.953 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.233 -4.609 10.727 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.828 -2.570 11.596 1.00 0.00 N ATOM 0 H ARG A 64 4.358 -0.492 11.352 1.00 0.00 H new ATOM 0 HA ARG A 64 5.709 -1.512 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.803 -0.936 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.275 -1.625 8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.315 -3.548 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.898 -2.852 10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.920 -3.694 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.275 -4.589 10.242 1.00 0.00 H new ATOM 0 HE ARG A 64 1.382 -1.833 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.436 -5.198 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.118 -5.002 11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.617 -1.587 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.712 -2.966 11.916 1.00 0.00 H new ATOM 939 N VAL A 65 4.308 1.442 8.684 1.00 0.00 N ATOM 940 CA VAL A 65 4.270 2.604 7.804 1.00 0.00 C ATOM 941 C VAL A 65 5.640 3.267 7.710 1.00 0.00 C ATOM 942 O VAL A 65 6.139 3.829 8.686 1.00 0.00 O ATOM 943 CB VAL A 65 3.242 3.642 8.289 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.172 4.817 7.325 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.874 2.998 8.458 1.00 0.00 C ATOM 0 H VAL A 65 3.810 1.564 9.566 1.00 0.00 H new ATOM 0 HA VAL A 65 3.975 2.245 6.818 1.00 0.00 H new ATOM 0 HB VAL A 65 3.563 4.019 9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.440 5.540 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.150 5.293 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.875 4.461 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.160 3.746 8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.543 2.592 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.938 2.194 9.191 1.00 0.00 H new ATOM 955 N THR A 66 6.245 3.200 6.528 1.00 0.00 N ATOM 956 CA THR A 66 7.557 3.793 6.305 1.00 0.00 C ATOM 957 C THR A 66 7.454 5.053 5.453 1.00 0.00 C ATOM 958 O THR A 66 7.233 4.981 4.244 1.00 0.00 O ATOM 959 CB THR A 66 8.514 2.799 5.619 1.00 0.00 C ATOM 960 OG1 THR A 66 8.732 1.665 6.466 1.00 0.00 O ATOM 961 CG2 THR A 66 9.844 3.463 5.298 1.00 0.00 C ATOM 0 H THR A 66 5.846 2.740 5.710 1.00 0.00 H new ATOM 0 HA THR A 66 7.957 4.053 7.285 1.00 0.00 H new ATOM 0 HB THR A 66 8.055 2.471 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.340 1.037 6.022 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.503 2.742 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.677 4.308 4.629 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.306 3.816 6.220 1.00 0.00 H new ATOM 969 N THR A 67 7.616 6.208 6.091 1.00 0.00 N ATOM 970 CA THR A 67 7.541 7.484 5.392 1.00 0.00 C ATOM 971 C THR A 67 8.551 7.547 4.252 1.00 0.00 C ATOM 972 O THR A 67 9.757 7.431 4.470 1.00 0.00 O ATOM 973 CB THR A 67 7.790 8.665 6.349 1.00 0.00 C ATOM 974 OG1 THR A 67 8.945 8.406 7.155 1.00 0.00 O ATOM 975 CG2 THR A 67 6.583 8.900 7.244 1.00 0.00 C ATOM 0 H THR A 67 7.800 6.285 7.091 1.00 0.00 H new ATOM 0 HA THR A 67 6.533 7.562 4.985 1.00 0.00 H new ATOM 0 HB THR A 67 7.958 9.560 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.612 7.923 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.782 9.739 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.712 9.125 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.388 8.005 7.835 1.00 0.00 H new ATOM 983 N VAL A 68 8.051 7.732 3.034 1.00 0.00 N ATOM 984 CA VAL A 68 8.910 7.812 1.859 1.00 0.00 C ATOM 985 C VAL A 68 9.867 8.994 1.957 1.00 0.00 C ATOM 986 O VAL A 68 11.083 8.833 1.845 1.00 0.00 O ATOM 987 CB VAL A 68 8.083 7.941 0.566 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.997 8.073 -0.642 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.148 6.751 0.411 1.00 0.00 C ATOM 0 H VAL A 68 7.055 7.829 2.836 1.00 0.00 H new ATOM 0 HA VAL A 68 9.484 6.886 1.823 1.00 0.00 H new ATOM 0 HB VAL A 68 7.476 8.844 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.395 8.163 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.620 8.960 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.632 7.190 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.571 6.859 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.733 5.832 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.469 6.708 1.263 1.00 0.00 H new ATOM 999 N SER A 69 9.311 10.182 2.169 1.00 0.00 N ATOM 1000 CA SER A 69 10.115 11.394 2.280 1.00 0.00 C ATOM 1001 C SER A 69 10.040 11.969 3.691 1.00 0.00 C ATOM 1002 O SER A 69 9.128 11.651 4.454 1.00 0.00 O ATOM 1003 CB SER A 69 9.644 12.438 1.266 1.00 0.00 C ATOM 1004 OG SER A 69 10.312 12.282 0.026 1.00 0.00 O ATOM 0 H SER A 69 8.307 10.332 2.267 1.00 0.00 H new ATOM 0 HA SER A 69 11.152 11.133 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.568 12.346 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.827 13.439 1.658 1.00 0.00 H new ATOM 0 HG SER A 69 9.992 12.960 -0.605 1.00 0.00 H new ATOM 1010 N GLU A 70 11.006 12.816 4.031 1.00 0.00 N ATOM 1011 CA GLU A 70 11.050 13.435 5.350 1.00 0.00 C ATOM 1012 C GLU A 70 10.046 14.580 5.448 1.00 0.00 C ATOM 1013 O GLU A 70 10.070 15.512 4.644 1.00 0.00 O ATOM 1014 CB GLU A 70 12.459 13.951 5.649 1.00 0.00 C ATOM 1015 CG GLU A 70 12.764 14.063 7.134 1.00 0.00 C ATOM 1016 CD GLU A 70 12.971 12.712 7.791 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.815 11.935 7.297 1.00 0.00 O ATOM 1018 OE2 GLU A 70 12.288 12.432 8.798 1.00 0.00 O ATOM 0 H GLU A 70 11.769 13.089 3.411 1.00 0.00 H new ATOM 0 HA GLU A 70 10.784 12.677 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.187 13.284 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.584 14.930 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.658 14.671 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.945 14.583 7.631 1.00 0.00 H new ATOM 1025 N LEU A 71 9.164 14.502 6.439 1.00 0.00 N ATOM 1026 CA LEU A 71 8.150 15.531 6.643 1.00 0.00 C ATOM 1027 C LEU A 71 8.734 16.733 7.378 1.00 0.00 C ATOM 1028 O LEU A 71 8.448 17.882 7.039 1.00 0.00 O ATOM 1029 CB LEU A 71 6.969 14.962 7.430 1.00 0.00 C ATOM 1030 CG LEU A 71 6.418 13.622 6.939 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.518 12.997 7.993 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.664 13.803 5.630 1.00 0.00 C ATOM 0 H LEU A 71 9.131 13.737 7.113 1.00 0.00 H new ATOM 0 HA LEU A 71 7.801 15.861 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.273 14.848 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.161 15.693 7.412 1.00 0.00 H new ATOM 0 HG LEU A 71 7.257 12.949 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.135 12.045 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.089 12.831 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.684 13.667 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.279 12.840 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.834 14.493 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.338 14.206 4.874 1.00 0.00 H new ATOM 1118 N ASN A 76 6.660 21.076 2.980 1.00 0.00 N ATOM 1119 CA ASN A 76 6.498 19.690 2.557 1.00 0.00 C ATOM 1120 C ASN A 76 5.142 19.479 1.891 1.00 0.00 C ATOM 1121 O ASN A 76 4.109 19.896 2.415 1.00 0.00 O ATOM 1122 CB ASN A 76 6.642 18.749 3.755 1.00 0.00 C ATOM 1123 CG ASN A 76 6.926 17.319 3.336 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.980 17.023 2.773 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.984 16.424 3.610 1.00 0.00 N ATOM 0 HA ASN A 76 7.279 19.465 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.448 19.104 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.727 18.776 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.119 15.446 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.126 16.714 4.078 1.00 0.00 H new ATOM 1132 N LEU A 77 5.153 18.829 0.732 1.00 0.00 N ATOM 1133 CA LEU A 77 3.924 18.562 -0.007 1.00 0.00 C ATOM 1134 C LEU A 77 3.748 17.066 -0.248 1.00 0.00 C ATOM 1135 O LEU A 77 2.624 16.567 -0.320 1.00 0.00 O ATOM 1136 CB LEU A 77 3.936 19.308 -1.342 1.00 0.00 C ATOM 1137 CG LEU A 77 3.663 20.810 -1.275 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.853 21.450 -2.642 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.259 21.074 -0.751 1.00 0.00 C ATOM 0 H LEU A 77 5.999 18.477 0.284 1.00 0.00 H new ATOM 0 HA LEU A 77 3.085 18.916 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.908 19.157 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.192 18.853 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 77 4.377 21.259 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.654 22.520 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.878 21.292 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.163 20.997 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.082 22.149 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.530 20.611 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.158 20.651 0.249 1.00 0.00 H new ATOM 1151 N ASP A 78 4.864 16.356 -0.369 1.00 0.00 N ATOM 1152 CA ASP A 78 4.833 14.917 -0.599 1.00 0.00 C ATOM 1153 C ASP A 78 4.359 14.178 0.648 1.00 0.00 C ATOM 1154 O ASP A 78 4.980 14.263 1.708 1.00 0.00 O ATOM 1155 CB ASP A 78 6.219 14.414 -1.008 1.00 0.00 C ATOM 1156 CG ASP A 78 6.406 14.395 -2.513 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.716 15.171 -3.207 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.243 13.604 -2.995 1.00 0.00 O ATOM 0 H ASP A 78 5.801 16.754 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 78 4.129 14.718 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.981 15.050 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.369 13.409 -0.613 1.00 0.00 H new ATOM 1163 N PHE A 79 3.253 13.453 0.516 1.00 0.00 N ATOM 1164 CA PHE A 79 2.693 12.700 1.632 1.00 0.00 C ATOM 1165 C PHE A 79 2.499 11.234 1.257 1.00 0.00 C ATOM 1166 O PHE A 79 1.499 10.616 1.621 1.00 0.00 O ATOM 1167 CB PHE A 79 1.357 13.308 2.066 1.00 0.00 C ATOM 1168 CG PHE A 79 1.485 14.693 2.635 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.220 14.917 3.788 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.872 15.769 2.016 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.339 16.190 4.313 1.00 0.00 C ATOM 1172 CE2 PHE A 79 0.987 17.045 2.536 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.722 17.255 3.686 1.00 0.00 C ATOM 0 H PHE A 79 2.726 13.371 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 79 3.396 12.754 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.684 13.337 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.896 12.659 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.705 14.088 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.297 15.610 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.914 16.352 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.503 17.876 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.814 18.250 4.095 1.00 0.00 H new ATOM 1183 N SER A 80 3.464 10.684 0.527 1.00 0.00 N ATOM 1184 CA SER A 80 3.399 9.292 0.098 1.00 0.00 C ATOM 1185 C SER A 80 4.059 8.376 1.124 1.00 0.00 C ATOM 1186 O SER A 80 5.213 8.579 1.501 1.00 0.00 O ATOM 1187 CB SER A 80 4.076 9.123 -1.263 1.00 0.00 C ATOM 1188 OG SER A 80 3.698 10.160 -2.153 1.00 0.00 O ATOM 0 H SER A 80 4.300 11.181 0.220 1.00 0.00 H new ATOM 0 HA SER A 80 2.349 9.014 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.159 9.124 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.806 8.157 -1.690 1.00 0.00 H new ATOM 0 HG SER A 80 4.145 10.030 -3.015 1.00 0.00 H new ATOM 1194 N ILE A 81 3.317 7.368 1.572 1.00 0.00 N ATOM 1195 CA ILE A 81 3.830 6.420 2.553 1.00 0.00 C ATOM 1196 C ILE A 81 3.899 5.011 1.973 1.00 0.00 C ATOM 1197 O ILE A 81 3.428 4.762 0.863 1.00 0.00 O ATOM 1198 CB ILE A 81 2.960 6.398 3.823 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.508 6.068 3.468 1.00 0.00 C ATOM 1200 CG2 ILE A 81 3.043 7.735 4.545 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.758 5.368 4.579 1.00 0.00 C ATOM 0 H ILE A 81 2.359 7.187 1.271 1.00 0.00 H new ATOM 0 HA ILE A 81 4.834 6.751 2.816 1.00 0.00 H new ATOM 0 HB ILE A 81 3.337 5.622 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.986 6.991 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.494 5.438 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.423 7.704 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.077 7.933 4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.689 8.527 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.263 5.165 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.256 4.428 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.740 6.005 5.463 1.00 0.00 H new ATOM 1213 N SER A 82 4.487 4.093 2.732 1.00 0.00 N ATOM 1214 CA SER A 82 4.619 2.708 2.293 1.00 0.00 C ATOM 1215 C SER A 82 4.330 1.745 3.440 1.00 0.00 C ATOM 1216 O SER A 82 5.087 1.671 4.409 1.00 0.00 O ATOM 1217 CB SER A 82 6.024 2.458 1.743 1.00 0.00 C ATOM 1218 OG SER A 82 7.015 2.835 2.683 1.00 0.00 O ATOM 0 H SER A 82 4.880 4.282 3.654 1.00 0.00 H new ATOM 0 HA SER A 82 3.890 2.532 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.138 1.403 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.162 3.020 0.820 1.00 0.00 H new ATOM 0 HG SER A 82 6.865 3.762 2.963 1.00 0.00 H new ATOM 1224 N ILE A 83 3.231 1.008 3.323 1.00 0.00 N ATOM 1225 CA ILE A 83 2.842 0.048 4.349 1.00 0.00 C ATOM 1226 C ILE A 83 3.519 -1.300 4.125 1.00 0.00 C ATOM 1227 O ILE A 83 3.202 -2.015 3.174 1.00 0.00 O ATOM 1228 CB ILE A 83 1.316 -0.155 4.380 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.599 1.196 4.337 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.911 -0.936 5.621 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.903 1.078 4.200 1.00 0.00 C ATOM 0 H ILE A 83 2.594 1.057 2.528 1.00 0.00 H new ATOM 0 HA ILE A 83 3.165 0.459 5.305 1.00 0.00 H new ATOM 0 HB ILE A 83 1.023 -0.729 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.830 1.750 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.987 1.778 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.171 -1.071 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.399 -1.911 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.214 -0.386 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.346 2.074 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.144 0.552 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.303 0.523 5.049 1.00 0.00 H new ATOM 1243 N SER A 84 4.451 -1.642 5.008 1.00 0.00 N ATOM 1244 CA SER A 84 5.174 -2.904 4.906 1.00 0.00 C ATOM 1245 C SER A 84 4.365 -4.045 5.516 1.00 0.00 C ATOM 1246 O SER A 84 3.490 -3.822 6.351 1.00 0.00 O ATOM 1247 CB SER A 84 6.532 -2.797 5.603 1.00 0.00 C ATOM 1248 OG SER A 84 7.321 -3.949 5.365 1.00 0.00 O ATOM 0 H SER A 84 4.723 -1.063 5.802 1.00 0.00 H new ATOM 0 HA SER A 84 5.332 -3.118 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.059 -1.912 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.384 -2.669 6.675 1.00 0.00 H new ATOM 0 HG SER A 84 8.184 -3.854 5.820 1.00 0.00 H new ATOM 1254 N ASN A 85 4.666 -5.268 5.092 1.00 0.00 N ATOM 1255 CA ASN A 85 3.967 -6.445 5.596 1.00 0.00 C ATOM 1256 C ASN A 85 2.483 -6.387 5.247 1.00 0.00 C ATOM 1257 O ASN A 85 1.625 -6.573 6.110 1.00 0.00 O ATOM 1258 CB ASN A 85 4.142 -6.558 7.112 1.00 0.00 C ATOM 1259 CG ASN A 85 3.541 -7.834 7.670 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.568 -7.797 8.423 1.00 0.00 O ATOM 1261 ND2 ASN A 85 4.120 -8.971 7.302 1.00 0.00 N ATOM 0 H ASN A 85 5.389 -5.470 4.401 1.00 0.00 H new ATOM 0 HA ASN A 85 4.400 -7.325 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.204 -6.523 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.675 -5.699 7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.760 -9.861 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.925 -8.954 6.676 1.00 0.00 H new ATOM 1268 N ILE A 86 2.189 -6.129 3.977 1.00 0.00 N ATOM 1269 CA ILE A 86 0.810 -6.049 3.514 1.00 0.00 C ATOM 1270 C ILE A 86 0.047 -7.330 3.834 1.00 0.00 C ATOM 1271 O ILE A 86 0.604 -8.427 3.785 1.00 0.00 O ATOM 1272 CB ILE A 86 0.739 -5.788 1.998 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.117 -4.337 1.690 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.653 -6.101 1.471 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.137 -3.327 2.245 1.00 0.00 C ATOM 0 H ILE A 86 2.888 -5.972 3.251 1.00 0.00 H new ATOM 0 HA ILE A 86 0.349 -5.213 4.040 1.00 0.00 H new ATOM 0 HB ILE A 86 1.452 -6.444 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.107 -4.133 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.185 -4.209 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.687 -5.911 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.887 -7.148 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.384 -5.468 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.468 -2.320 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.850 -3.505 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.086 -3.427 3.329 1.00 0.00 H new ATOM 1287 N THR A 87 -1.234 -7.184 4.160 1.00 0.00 N ATOM 1288 CA THR A 87 -2.074 -8.328 4.488 1.00 0.00 C ATOM 1289 C THR A 87 -3.312 -8.374 3.598 1.00 0.00 C ATOM 1290 O THR A 87 -3.789 -7.352 3.104 1.00 0.00 O ATOM 1291 CB THR A 87 -2.517 -8.297 5.963 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.172 -7.056 6.251 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.324 -8.474 6.890 1.00 0.00 C ATOM 0 H THR A 87 -1.712 -6.284 4.204 1.00 0.00 H new ATOM 0 HA THR A 87 -1.472 -9.221 4.317 1.00 0.00 H new ATOM 0 HB THR A 87 -3.211 -9.121 6.129 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.508 -6.337 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.661 -8.449 7.926 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.845 -9.432 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.609 -7.668 6.721 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.846 -9.586 3.388 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.036 -9.794 2.558 1.00 0.00 C ATOM 1303 C PRO A 88 -6.300 -9.241 3.208 1.00 0.00 C ATOM 1304 O PRO A 88 -7.376 -9.263 2.612 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.121 -11.317 2.434 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.423 -11.835 3.644 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.330 -10.848 3.946 1.00 0.00 C ATOM 0 HA PRO A 88 -4.960 -9.279 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.157 -11.654 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.641 -11.667 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.112 -11.923 4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.013 -12.828 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.146 -10.768 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.388 -11.137 3.481 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.161 -8.746 4.434 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.292 -8.185 5.164 1.00 0.00 C ATOM 1317 C ALA A 89 -7.209 -6.663 5.218 1.00 0.00 C ATOM 1318 O ALA A 89 -8.060 -6.008 5.820 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.352 -8.764 6.570 1.00 0.00 C ATOM 0 H ALA A 89 -5.277 -8.722 4.942 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.206 -8.454 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.201 -8.337 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.467 -9.846 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.431 -8.524 7.102 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.181 -6.108 4.588 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.988 -4.663 4.564 1.00 0.00 C ATOM 1327 C ASP A 90 -6.424 -4.078 3.225 1.00 0.00 C ATOM 1328 O ASP A 90 -6.650 -2.874 3.106 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.522 -4.319 4.832 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.227 -4.151 6.310 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.177 -3.897 7.079 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.045 -4.272 6.697 1.00 0.00 O ATOM 0 H ASP A 90 -5.467 -6.637 4.086 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.605 -4.226 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.887 -5.106 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.266 -3.399 4.307 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.539 -4.938 2.218 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.949 -4.507 0.888 1.00 0.00 C ATOM 1339 C ALA A 91 -8.201 -3.640 0.953 1.00 0.00 C ATOM 1340 O ALA A 91 -8.833 -3.523 2.003 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.186 -5.713 -0.008 1.00 0.00 C ATOM 0 H ALA A 91 -6.354 -5.938 2.299 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.145 -3.906 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.492 -5.376 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.266 -6.292 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.970 -6.337 0.421 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.555 -3.032 -0.175 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.730 -2.183 -0.223 1.00 0.00 C ATOM 1349 C GLY A 92 -9.496 -0.913 -1.017 1.00 0.00 C ATOM 1350 O GLY A 92 -9.341 -0.954 -2.238 1.00 0.00 O ATOM 0 H GLY A 92 -8.048 -3.113 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.557 -2.738 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.028 -1.923 0.793 1.00 0.00 H new ATOM 1354 N THR A 93 -9.472 0.221 -0.323 1.00 0.00 N ATOM 1355 CA THR A 93 -9.257 1.509 -0.971 1.00 0.00 C ATOM 1356 C THR A 93 -8.822 2.566 0.038 1.00 0.00 C ATOM 1357 O THR A 93 -9.596 2.962 0.909 1.00 0.00 O ATOM 1358 CB THR A 93 -10.530 1.995 -1.690 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.175 0.895 -2.341 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.197 3.072 -2.711 1.00 0.00 C ATOM 0 H THR A 93 -9.599 0.273 0.688 1.00 0.00 H new ATOM 0 HA THR A 93 -8.465 1.365 -1.706 1.00 0.00 H new ATOM 0 HB THR A 93 -11.202 2.420 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.499 0.255 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.111 3.399 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.733 3.920 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.507 2.669 -3.453 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.580 3.019 -0.086 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.041 4.030 0.816 1.00 0.00 C ATOM 1370 C TYR A 94 -7.255 5.432 0.254 1.00 0.00 C ATOM 1371 O TYR A 94 -6.760 5.763 -0.824 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.550 3.786 1.056 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.247 2.436 1.665 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.494 1.264 0.960 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.716 2.331 2.944 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.220 0.027 1.512 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.437 1.099 3.504 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.691 -0.050 2.784 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.416 -1.279 3.338 1.00 0.00 O ATOM 0 H TYR A 94 -6.927 2.702 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.572 3.954 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.019 3.875 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.164 4.566 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.907 1.321 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.518 3.228 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.419 -0.874 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.023 1.036 4.499 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.235 -1.817 3.364 1.00 0.00 H new ATOM 1389 N TYR A 95 -7.994 6.252 0.992 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.276 7.618 0.568 1.00 0.00 C ATOM 1391 C TYR A 95 -7.498 8.622 1.413 1.00 0.00 C ATOM 1392 O TYR A 95 -7.708 8.730 2.622 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.775 7.906 0.666 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.635 6.888 -0.049 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.052 5.728 0.593 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.032 7.087 -1.365 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.836 4.795 -0.057 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -11.818 6.160 -2.022 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.217 5.016 -1.364 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.000 4.090 -2.014 1.00 0.00 O ATOM 0 H TYR A 95 -8.409 5.994 1.887 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.960 7.721 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.062 7.938 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -9.975 8.894 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.758 5.553 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.721 7.982 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.149 3.897 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.118 6.331 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.180 4.397 -2.927 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.597 9.356 0.768 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.786 10.352 1.457 1.00 0.00 C ATOM 1412 C CYS A 96 -6.643 11.530 1.914 1.00 0.00 C ATOM 1413 O CYS A 96 -7.069 12.353 1.103 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.664 10.848 0.543 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.152 11.350 1.427 1.00 0.00 S ATOM 0 H CYS A 96 -6.410 9.279 -0.232 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.347 9.881 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.412 10.060 -0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.030 11.694 -0.038 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.891 11.604 3.218 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.695 12.681 3.783 1.00 0.00 C ATOM 1422 C VAL A 97 -6.815 13.825 4.273 1.00 0.00 C ATOM 1423 O VAL A 97 -6.011 13.656 5.190 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.563 12.179 4.952 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.330 13.332 5.581 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.515 11.090 4.479 1.00 0.00 C ATOM 0 H VAL A 97 -6.547 10.931 3.903 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.345 13.042 2.986 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.908 11.753 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.938 12.958 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.626 14.075 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.976 13.790 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.121 10.747 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.166 11.488 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.941 10.254 4.079 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.972 14.991 3.655 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.193 16.166 4.028 1.00 0.00 C ATOM 1438 C LYS A 98 -6.887 16.948 5.138 1.00 0.00 C ATOM 1439 O LYS A 98 -7.626 17.897 4.874 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.978 17.068 2.811 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.329 18.399 3.148 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.907 18.215 3.651 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.518 19.309 4.633 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.904 20.479 3.945 1.00 0.00 N ATOM 0 H LYS A 98 -7.632 15.147 2.893 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.225 15.828 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.356 16.543 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.939 17.253 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.323 19.036 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.921 18.912 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.813 17.242 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.218 18.220 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.401 19.634 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.816 18.908 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.119 20.847 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.544 20.185 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.620 21.223 3.820 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.644 16.546 6.381 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.246 17.210 7.531 1.00 0.00 C ATOM 1460 C PHE A 99 -6.712 18.632 7.679 1.00 0.00 C ATOM 1461 O PHE A 99 -5.537 18.895 7.420 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.969 16.414 8.809 1.00 0.00 C ATOM 1463 CG PHE A 99 -8.050 15.427 9.146 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -8.046 14.158 8.590 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -9.071 15.769 10.019 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -9.039 13.248 8.899 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -10.066 14.863 10.331 1.00 0.00 C ATOM 1468 CZ PHE A 99 -10.051 13.601 9.770 1.00 0.00 C ATOM 0 H PHE A 99 -6.034 15.763 6.618 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.323 17.260 7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.024 15.882 8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.849 17.108 9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.258 13.877 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.089 16.755 10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.024 12.261 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.855 15.141 11.013 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.829 12.892 10.012 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.584 19.544 8.096 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.201 20.940 8.276 1.00 0.00 C ATOM 1480 C ARG A 100 -7.062 21.278 9.757 1.00 0.00 C ATOM 1481 O ARG A 100 -7.889 20.879 10.577 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.235 21.862 7.626 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.404 22.203 8.536 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.552 22.826 7.758 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.658 23.214 8.630 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.900 23.404 8.201 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -13.194 23.244 6.918 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.852 23.756 9.056 1.00 0.00 N ATOM 0 H ARG A 100 -8.559 19.342 8.315 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.235 21.092 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.744 22.785 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.616 21.387 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.751 21.300 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.073 22.892 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.191 23.702 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.911 22.117 7.011 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.465 23.346 9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.465 22.974 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -14.149 23.391 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.630 23.881 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.806 23.902 8.725 1.00 0.00 H new ATOM 1502 N LYS A 101 -6.009 22.016 10.094 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.760 22.410 11.475 1.00 0.00 C ATOM 1504 C LYS A 101 -6.993 23.071 12.083 1.00 0.00 C ATOM 1505 O LYS A 101 -7.308 24.220 11.776 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.567 23.365 11.548 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.841 23.332 12.881 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.709 24.344 12.926 1.00 0.00 C ATOM 1509 CE LYS A 101 -3.230 25.752 13.171 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.135 26.761 13.142 1.00 0.00 N ATOM 0 H LYS A 101 -5.314 22.353 9.428 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.532 21.511 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.863 23.115 10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.914 24.381 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.547 23.539 13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.443 22.332 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.007 24.072 13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.158 24.317 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.974 26.001 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.734 25.790 14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.531 27.708 13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.438 26.538 13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.671 26.743 12.212 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.686 22.338 12.950 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.875 22.871 13.588 1.00 0.00 C ATOM 1526 C GLY A 102 -8.902 22.603 15.080 1.00 0.00 C ATOM 1527 O GLY A 102 -7.915 22.143 15.652 1.00 0.00 O ATOM 0 H GLY A 102 -7.445 21.385 13.221 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.926 23.946 13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.759 22.431 13.127 1.00 0.00 H new ATOM 1531 N SER A 103 -10.035 22.894 15.711 1.00 0.00 N ATOM 1532 CA SER A 103 -10.185 22.686 17.147 1.00 0.00 C ATOM 1533 C SER A 103 -11.581 22.167 17.478 1.00 0.00 C ATOM 1534 O SER A 103 -12.565 22.486 16.809 1.00 0.00 O ATOM 1535 CB SER A 103 -9.921 23.990 17.902 1.00 0.00 C ATOM 1536 OG SER A 103 -10.501 23.957 19.194 1.00 0.00 O ATOM 0 H SER A 103 -10.862 23.274 15.251 1.00 0.00 H new ATOM 0 HA SER A 103 -9.455 21.939 17.459 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.847 24.154 17.986 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.328 24.829 17.338 1.00 0.00 H new ATOM 0 HG SER A 103 -10.317 24.801 19.657 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.671 21.348 18.536 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.508 20.961 19.339 1.00 0.00 C ATOM 1544 C PRO A 104 -9.561 20.038 18.580 1.00 0.00 C ATOM 1545 O PRO A 104 -8.539 19.605 19.115 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.128 20.229 20.531 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.433 19.719 20.026 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.916 20.735 19.029 1.00 0.00 C ATOM 0 HA PRO A 104 -9.901 21.822 19.619 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.489 19.414 20.871 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.267 20.900 21.379 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.316 18.740 19.560 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.148 19.601 20.841 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.481 20.269 18.222 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.571 21.473 19.492 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.906 19.740 17.332 1.00 0.00 N ATOM 1557 CA ASP A 105 -9.085 18.868 16.499 1.00 0.00 C ATOM 1558 C ASP A 105 -9.237 19.226 15.024 1.00 0.00 C ATOM 1559 O ASP A 105 -10.058 20.068 14.661 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.468 17.404 16.724 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.329 16.454 16.411 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.159 16.882 16.497 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.607 15.282 16.079 1.00 0.00 O ATOM 0 H ASP A 105 -10.748 20.089 16.875 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.042 19.010 16.783 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.777 17.267 17.760 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.326 17.156 16.100 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.440 18.582 14.180 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.485 18.832 12.744 1.00 0.00 C ATOM 1570 C ASP A 106 -9.838 18.431 12.165 1.00 0.00 C ATOM 1571 O ASP A 106 -10.612 17.718 12.803 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.367 18.066 12.035 1.00 0.00 C ATOM 1573 CG ASP A 106 -6.048 18.147 12.779 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.433 19.233 12.779 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.631 17.123 13.361 1.00 0.00 O ATOM 0 H ASP A 106 -7.754 17.883 14.465 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.342 19.900 12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.657 17.021 11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.238 18.465 11.029 1.00 0.00 H new ATOM 1580 N VAL A 107 -10.118 18.896 10.951 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.378 18.587 10.286 1.00 0.00 C ATOM 1582 C VAL A 107 -11.148 18.186 8.833 1.00 0.00 C ATOM 1583 O VAL A 107 -10.416 18.853 8.104 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.345 19.785 10.329 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.510 19.566 9.376 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.842 20.017 11.748 1.00 0.00 C ATOM 0 H VAL A 107 -9.489 19.488 10.409 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.823 17.751 10.825 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.807 20.676 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.182 20.423 9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.132 19.453 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -14.051 18.665 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.524 20.867 11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.364 19.128 12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.994 20.223 12.401 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.780 17.092 8.420 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.644 16.602 7.053 1.00 0.00 C ATOM 1598 C GLU A 108 -11.940 17.709 6.046 1.00 0.00 C ATOM 1599 O GLU A 108 -13.079 18.159 5.919 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.582 15.417 6.816 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.643 14.969 5.366 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.962 14.309 5.014 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.999 14.717 5.577 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.957 13.384 4.175 1.00 0.00 O ATOM 0 H GLU A 108 -12.391 16.529 9.012 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.614 16.274 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.258 14.579 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.585 15.687 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.488 15.831 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.829 14.271 5.171 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.907 18.144 5.332 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.056 19.199 4.337 1.00 0.00 C ATOM 1613 C PHE A 109 -11.177 18.611 2.934 1.00 0.00 C ATOM 1614 O PHE A 109 -12.171 18.828 2.241 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.866 20.159 4.399 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.891 21.215 3.331 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.676 22.347 3.475 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.128 21.075 2.183 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.701 23.319 2.493 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.149 22.044 1.197 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.936 23.168 1.354 1.00 0.00 C ATOM 0 H PHE A 109 -9.958 17.782 5.424 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.970 19.749 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.850 20.642 5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.943 19.586 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.275 22.471 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.510 20.199 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.319 24.196 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.551 21.922 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.953 23.928 0.587 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.157 17.867 2.522 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.147 17.246 1.202 1.00 0.00 C ATOM 1633 C LYS A 110 -10.179 15.725 1.317 1.00 0.00 C ATOM 1634 O LYS A 110 -10.272 15.177 2.415 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.906 17.683 0.420 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.163 17.887 -1.063 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.486 19.338 -1.379 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.857 19.731 -0.853 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.330 21.014 -1.442 1.00 0.00 N ATOM 0 H LYS A 110 -9.326 17.679 3.083 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.039 17.572 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.527 18.612 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.125 16.933 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.286 17.577 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.990 17.252 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.727 19.985 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.451 19.493 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.573 18.941 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.817 19.823 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.268 21.247 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.660 21.773 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.393 20.919 -2.476 1.00 0.00 H new ATOM 1653 N SER A 111 -10.099 15.048 0.175 1.00 0.00 N ATOM 1654 CA SER A 111 -10.122 13.591 0.147 1.00 0.00 C ATOM 1655 C SER A 111 -9.594 13.065 -1.184 1.00 0.00 C ATOM 1656 O SER A 111 -10.103 13.413 -2.248 1.00 0.00 O ATOM 1657 CB SER A 111 -11.543 13.077 0.384 1.00 0.00 C ATOM 1658 OG SER A 111 -11.583 11.660 0.366 1.00 0.00 O ATOM 0 H SER A 111 -10.018 15.486 -0.743 1.00 0.00 H new ATOM 0 HA SER A 111 -9.474 13.227 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.910 13.442 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.209 13.472 -0.383 1.00 0.00 H new ATOM 0 HG SER A 111 -12.502 11.357 0.522 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.568 12.222 -1.115 1.00 0.00 N ATOM 1665 CA GLY A 112 -7.986 11.660 -2.320 1.00 0.00 C ATOM 1666 C GLY A 112 -8.915 10.681 -3.010 1.00 0.00 C ATOM 1667 O GLY A 112 -9.718 10.013 -2.360 1.00 0.00 O ATOM 0 H GLY A 112 -8.129 11.918 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.736 12.466 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.053 11.155 -2.068 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.808 10.598 -4.332 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.645 9.693 -5.111 1.00 0.00 C ATOM 1673 C ALA A 113 -9.832 8.362 -4.391 1.00 0.00 C ATOM 1674 O ALA A 113 -10.957 7.898 -4.207 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.039 9.469 -6.489 1.00 0.00 C ATOM 0 H ALA A 113 -8.150 11.146 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.626 10.154 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.674 8.792 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.963 10.422 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.046 9.033 -6.383 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.723 7.752 -3.986 1.00 0.00 N ATOM 1682 CA GLY A 114 -8.788 6.479 -3.291 1.00 0.00 C ATOM 1683 C GLY A 114 -7.941 5.412 -3.956 1.00 0.00 C ATOM 1684 O GLY A 114 -8.381 4.761 -4.904 1.00 0.00 O ATOM 0 H GLY A 114 -7.781 8.116 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.456 6.613 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.824 6.143 -3.250 1.00 0.00 H new ATOM 1688 N THR A 115 -6.721 5.231 -3.459 1.00 0.00 N ATOM 1689 CA THR A 115 -5.810 4.238 -4.013 1.00 0.00 C ATOM 1690 C THR A 115 -6.260 2.824 -3.663 1.00 0.00 C ATOM 1691 O THR A 115 -6.087 2.370 -2.532 1.00 0.00 O ATOM 1692 CB THR A 115 -4.372 4.448 -3.502 1.00 0.00 C ATOM 1693 OG1 THR A 115 -3.897 5.741 -3.895 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.442 3.374 -4.044 1.00 0.00 C ATOM 0 H THR A 115 -6.342 5.760 -2.674 1.00 0.00 H new ATOM 0 HA THR A 115 -5.825 4.364 -5.096 1.00 0.00 H new ATOM 0 HB THR A 115 -4.383 4.380 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.983 5.868 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.433 3.544 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.790 2.394 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.436 3.414 -5.133 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.836 2.132 -4.640 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.311 0.769 -4.434 1.00 0.00 C ATOM 1704 C GLU A 116 -6.139 -0.197 -4.280 1.00 0.00 C ATOM 1705 O GLU A 116 -5.277 -0.290 -5.155 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.197 0.331 -5.602 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.544 -1.148 -5.581 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.260 -1.597 -6.841 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -8.622 -1.610 -7.914 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.459 -1.935 -6.752 1.00 0.00 O ATOM 0 H GLU A 116 -6.985 2.493 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.899 0.751 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.119 0.912 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.690 0.563 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.630 -1.730 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.173 -1.358 -4.716 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.115 -0.914 -3.162 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.050 -1.873 -2.892 1.00 0.00 C ATOM 1719 C LEU A 117 -5.413 -3.255 -3.426 1.00 0.00 C ATOM 1720 O LEU A 117 -6.532 -3.731 -3.235 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.776 -1.951 -1.389 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.557 -2.775 -0.970 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.295 -2.227 -1.617 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.419 -2.791 0.545 1.00 0.00 C ATOM 0 H LEU A 117 -6.821 -0.849 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.150 -1.531 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.652 -0.937 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.657 -2.368 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.700 -3.800 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.438 -2.825 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.394 -2.269 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.146 -1.193 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.547 -3.382 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.299 -1.771 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.313 -3.232 0.987 1.00 0.00 H new ATOM 1736 N SER A 118 -4.459 -3.895 -4.094 1.00 0.00 N ATOM 1737 CA SER A 118 -4.679 -5.222 -4.657 1.00 0.00 C ATOM 1738 C SER A 118 -3.705 -6.234 -4.060 1.00 0.00 C ATOM 1739 O SER A 118 -2.689 -6.570 -4.668 1.00 0.00 O ATOM 1740 CB SER A 118 -4.524 -5.186 -6.179 1.00 0.00 C ATOM 1741 OG SER A 118 -4.853 -3.908 -6.694 1.00 0.00 O ATOM 0 H SER A 118 -3.526 -3.516 -4.259 1.00 0.00 H new ATOM 0 HA SER A 118 -5.695 -5.531 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.499 -5.438 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.167 -5.941 -6.631 1.00 0.00 H new ATOM 0 HG SER A 118 -4.084 -3.309 -6.598 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.024 -6.717 -2.863 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.180 -7.691 -2.182 1.00 0.00 C ATOM 1749 C VAL A 119 -3.224 -9.043 -2.885 1.00 0.00 C ATOM 1750 O VAL A 119 -4.294 -9.624 -3.069 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.607 -7.874 -0.713 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.068 -8.287 -0.629 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.715 -8.895 -0.023 1.00 0.00 C ATOM 0 H VAL A 119 -4.861 -6.449 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.162 -7.303 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.494 -6.920 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.351 -8.412 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.691 -7.517 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.211 -9.229 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.030 -9.012 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.794 -9.853 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.681 -8.552 -0.051 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.054 -9.539 -3.275 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.959 -10.824 -3.958 1.00 0.00 C ATOM 1765 C ARG A 120 -1.418 -11.899 -3.022 1.00 0.00 C ATOM 1766 O ARG A 120 -0.289 -11.806 -2.541 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.060 -10.704 -5.190 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.745 -10.062 -6.385 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.099 -10.490 -7.694 1.00 0.00 C ATOM 1770 NE ARG A 120 -1.871 -10.053 -8.854 1.00 0.00 N ATOM 1771 CZ ARG A 120 -1.490 -10.257 -10.110 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -0.353 -10.889 -10.366 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -2.246 -9.829 -11.112 1.00 0.00 N ATOM 0 H ARG A 120 -1.159 -9.071 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.961 -11.115 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.178 -10.118 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.711 -11.697 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.800 -10.336 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.699 -8.977 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -0.092 -10.078 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -1.001 -11.575 -7.712 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.751 -9.564 -8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.231 -11.220 -9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.062 -11.045 -11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.121 -9.342 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.952 -9.986 -12.076 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.231 -12.919 -2.767 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.833 -14.013 -1.890 1.00 0.00 C ATOM 1789 C ALA A 121 -0.372 -14.391 -2.112 1.00 0.00 C ATOM 1790 O ALA A 121 0.179 -14.174 -3.191 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.732 -15.220 -2.110 1.00 0.00 C ATOM 0 H ALA A 121 -3.170 -13.010 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.941 -13.677 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.423 -16.029 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.765 -14.948 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.653 -15.548 -3.146 1.00 0.00 H new ATOM 1797 N LYS A 122 0.250 -14.958 -1.084 1.00 0.00 N ATOM 1798 CA LYS A 122 1.647 -15.367 -1.165 1.00 0.00 C ATOM 1799 C LYS A 122 1.980 -15.890 -2.559 1.00 0.00 C ATOM 1800 O LYS A 122 1.175 -16.560 -3.206 1.00 0.00 O ATOM 1801 CB LYS A 122 1.946 -16.445 -0.121 1.00 0.00 C ATOM 1802 CG LYS A 122 2.401 -15.886 1.216 1.00 0.00 C ATOM 1803 CD LYS A 122 2.620 -16.990 2.237 1.00 0.00 C ATOM 1804 CE LYS A 122 2.707 -16.434 3.650 1.00 0.00 C ATOM 1805 NZ LYS A 122 4.016 -15.771 3.906 1.00 0.00 N ATOM 0 H LYS A 122 -0.192 -15.145 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 122 2.267 -14.493 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.051 -17.049 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.717 -17.111 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.326 -15.325 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.655 -15.185 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.803 -17.709 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.537 -17.529 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.900 -15.718 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.563 -17.242 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.036 -15.406 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.785 -16.460 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.143 -14.984 3.238 1.00 0.00 H new