USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 47:sc= 1.52 USER MOD Set 1.2: B 123 LYS NZ :NH3+ -150:sc= 1.74 (180deg=-0.96) USER MOD Set 1.3: B 125 TYR OH : rot -177:sc= 0.162 USER MOD Set 2.1: A 83 ASN : amide:sc= 1.56 K(o=3.3,f=-4.7) USER MOD Set 2.2: B 122 LYS NZ :NH3+ -155:sc= 1.73 (180deg=-1.14!) USER MOD Set 3.1: B 114 THR OG1 : rot 74:sc= 2.14 USER MOD Set 3.2: B 117 LYS NZ :NH3+ -167:sc= 2.36 (180deg=1.15) USER MOD Set 4.1: B 103 GLN : amide:sc= -0.444 K(o=-1.1,f=-3.8) USER MOD Set 4.2: B 107 ASN : amide:sc= -0.642 K(o=-1.1,f=-3.2) USER MOD Set 5.1: A 122 LYS NZ :NH3+ -106:sc= 2.88 (180deg=2.02) USER MOD Set 5.2: B 83 ASN : amide:sc= 1.17 K(o=4,f=-1.6) USER MOD Set 6.1: A 125 TYR OH : rot 20:sc= 0.833 USER MOD Set 6.2: B 81 GLN : amide:sc= 1.91 K(o=2.7,f=0.51) USER MOD Set 7.1: A 123 LYS NZ :NH3+ 161:sc= 1.56 (180deg=-0.835) USER MOD Set 7.2: B 82 SER OG : rot -122:sc= 1.18 USER MOD Set 8.1: A 114 THR OG1 : rot 83:sc= 1.06 USER MOD Set 8.2: A 117 LYS NZ :NH3+ 164:sc= 1.58 (180deg=1.1) USER MOD Single : A 69 SER OG : rot 85:sc= 0.942 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 79 TYR OH : rot 2:sc= 1.1 USER MOD Single : A 81 GLN : amide:sc= 1.11 K(o=1.1,f=-0.48) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 96 ASN : amide:sc= 1.09 K(o=1.1,f=-0.93) USER MOD Single : A 97 GLN : amide:sc= 1.16 K(o=1.2,f=-0.43) USER MOD Single : A 100 GLN : amide:sc= 1.19 K(o=1.2,f=-0.052) USER MOD Single : A 101 SER OG : rot 49:sc= 1.24 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 107 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.76) USER MOD Single : A 108 TYR OH : rot 18:sc= 1.24 USER MOD Single : A 111 THR OG1 : rot 79:sc= 0.738 USER MOD Single : A 112 GLN : amide:sc= 0.667 K(o=0.67,f=-0.6) USER MOD Single : A 115 TYR OH : rot -26:sc= 1.06 USER MOD Single : A 120 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.1) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 CYS SG : rot -28:sc= 0.131 USER MOD Single : B 79 TYR OH : rot 30:sc= -0.0952 USER MOD Single : B 88 SER OG : rot -70:sc= 0.61 USER MOD Single : B 96 ASN : amide:sc= 0.731 K(o=0.73,f=-0.15) USER MOD Single : B 97 GLN : amide:sc= 1.13 K(o=1.1,f=-0.93) USER MOD Single : B 100 GLN : amide:sc= 1.16 K(o=1.2,f=-0.033) USER MOD Single : B 101 SER OG : rot 103:sc= 0.734 USER MOD Single : B 108 TYR OH : rot 40:sc= 1.2 USER MOD Single : B 111 THR OG1 : rot 76:sc= 0.987 USER MOD Single : B 112 GLN : amide:sc= 1.11 K(o=1.1,f=-0.68) USER MOD Single : B 115 TYR OH : rot -25:sc= 1.83 USER MOD Single : B 120 ASN : amide:sc= 0.72 K(o=0.72,f=-1.1) USER MOD Single : B 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.331 9.825 -5.467 1.00 0.00 N ATOM 115 CA LEU A 68 -8.083 8.595 -5.200 1.00 0.00 C ATOM 116 C LEU A 68 -9.479 8.600 -5.855 1.00 0.00 C ATOM 117 O LEU A 68 -10.418 9.232 -5.372 1.00 0.00 O ATOM 118 CB LEU A 68 -8.129 8.321 -3.693 1.00 0.00 C ATOM 119 CG LEU A 68 -6.780 7.844 -3.123 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.790 7.968 -1.597 1.00 0.00 C ATOM 121 CD2 LEU A 68 -6.508 6.375 -3.482 1.00 0.00 C ATOM 0 HA LEU A 68 -7.555 7.766 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.435 9.229 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.889 7.567 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.000 8.469 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.834 7.629 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.952 9.009 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.592 7.354 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.548 6.070 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.299 5.747 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.484 6.264 -4.566 1.00 0.00 H new ATOM 133 N SER A 69 -9.603 7.891 -6.974 1.00 0.00 N ATOM 134 CA SER A 69 -10.845 7.575 -7.670 1.00 0.00 C ATOM 135 C SER A 69 -11.779 6.725 -6.791 1.00 0.00 C ATOM 136 O SER A 69 -11.356 6.126 -5.810 1.00 0.00 O ATOM 137 CB SER A 69 -10.506 6.830 -8.973 1.00 0.00 C ATOM 138 OG SER A 69 -9.412 7.437 -9.642 1.00 0.00 O ATOM 0 H SER A 69 -8.789 7.498 -7.447 1.00 0.00 H new ATOM 0 HA SER A 69 -11.371 8.502 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.267 5.790 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.377 6.823 -9.628 1.00 0.00 H new ATOM 0 HG SER A 69 -8.572 7.086 -9.280 1.00 0.00 H new ATOM 144 N ALA A 70 -13.066 6.643 -7.135 1.00 0.00 N ATOM 145 CA ALA A 70 -14.070 6.050 -6.244 1.00 0.00 C ATOM 146 C ALA A 70 -13.728 4.650 -5.690 1.00 0.00 C ATOM 147 O ALA A 70 -13.766 4.435 -4.485 1.00 0.00 O ATOM 148 CB ALA A 70 -15.431 6.057 -6.948 1.00 0.00 C ATOM 0 H ALA A 70 -13.439 6.979 -8.023 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.092 6.677 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.182 5.618 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.712 7.083 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.368 5.475 -7.868 1.00 0.00 H new ATOM 154 N CYS A 71 -13.392 3.679 -6.539 1.00 0.00 N ATOM 155 CA CYS A 71 -13.072 2.331 -6.068 1.00 0.00 C ATOM 156 C CYS A 71 -11.836 2.282 -5.148 1.00 0.00 C ATOM 157 O CYS A 71 -11.881 1.698 -4.066 1.00 0.00 O ATOM 158 CB CYS A 71 -12.966 1.385 -7.270 1.00 0.00 C ATOM 159 SG CYS A 71 -11.640 1.845 -8.413 1.00 0.00 S ATOM 0 H CYS A 71 -13.334 3.799 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.888 1.990 -5.431 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.795 0.369 -6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.915 1.379 -7.806 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.608 1.002 -9.402 1.00 0.00 H new ATOM 165 N GLU A 72 -10.731 2.918 -5.541 1.00 0.00 N ATOM 166 CA GLU A 72 -9.521 2.988 -4.725 1.00 0.00 C ATOM 167 C GLU A 72 -9.761 3.747 -3.403 1.00 0.00 C ATOM 168 O GLU A 72 -9.402 3.259 -2.335 1.00 0.00 O ATOM 169 CB GLU A 72 -8.334 3.484 -5.578 1.00 0.00 C ATOM 170 CG GLU A 72 -8.565 4.822 -6.311 1.00 0.00 C ATOM 171 CD GLU A 72 -7.482 5.197 -7.318 1.00 0.00 C ATOM 172 OE1 GLU A 72 -6.579 4.374 -7.556 1.00 0.00 O ATOM 173 OE2 GLU A 72 -7.629 6.296 -7.897 1.00 0.00 O ATOM 0 H GLU A 72 -10.651 3.400 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.241 1.988 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.462 3.588 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.094 2.720 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.523 4.775 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.643 5.617 -5.570 1.00 0.00 H new ATOM 180 N VAL A 73 -10.446 4.894 -3.433 1.00 0.00 N ATOM 181 CA VAL A 73 -10.796 5.635 -2.214 1.00 0.00 C ATOM 182 C VAL A 73 -11.701 4.806 -1.290 1.00 0.00 C ATOM 183 O VAL A 73 -11.468 4.723 -0.090 1.00 0.00 O ATOM 184 CB VAL A 73 -11.371 7.028 -2.551 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.892 7.137 -2.585 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.884 8.071 -1.535 1.00 0.00 C ATOM 0 H VAL A 73 -10.772 5.333 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.881 5.815 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.008 7.207 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.178 8.159 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.289 6.457 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.298 6.872 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.299 9.047 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.211 7.786 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.795 8.122 -1.560 1.00 0.00 H new ATOM 196 N ALA A 74 -12.706 4.142 -1.863 1.00 0.00 N ATOM 197 CA ALA A 74 -13.608 3.278 -1.100 1.00 0.00 C ATOM 198 C ALA A 74 -12.850 2.120 -0.432 1.00 0.00 C ATOM 199 O ALA A 74 -13.131 1.722 0.692 1.00 0.00 O ATOM 200 CB ALA A 74 -14.714 2.755 -2.021 1.00 0.00 C ATOM 0 H ALA A 74 -12.917 4.187 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.058 3.865 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.386 2.111 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.275 3.595 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.269 2.185 -2.837 1.00 0.00 H new ATOM 206 N VAL A 75 -11.865 1.562 -1.127 1.00 0.00 N ATOM 207 CA VAL A 75 -11.075 0.455 -0.596 1.00 0.00 C ATOM 208 C VAL A 75 -10.066 0.914 0.482 1.00 0.00 C ATOM 209 O VAL A 75 -9.920 0.259 1.514 1.00 0.00 O ATOM 210 CB VAL A 75 -10.521 -0.359 -1.776 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.296 -1.177 -1.389 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.647 -1.281 -2.266 1.00 0.00 C ATOM 0 H VAL A 75 -11.593 1.859 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.695 -0.236 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.197 0.322 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.942 -1.734 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.508 -0.509 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.560 -1.873 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.290 -1.877 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.954 -1.943 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.498 -0.679 -2.584 1.00 0.00 H new ATOM 222 N LEU A 76 -9.423 2.073 0.302 1.00 0.00 N ATOM 223 CA LEU A 76 -8.746 2.816 1.380 1.00 0.00 C ATOM 224 C LEU A 76 -9.621 2.991 2.633 1.00 0.00 C ATOM 225 O LEU A 76 -9.175 2.829 3.770 1.00 0.00 O ATOM 226 CB LEU A 76 -8.274 4.163 0.824 1.00 0.00 C ATOM 227 CG LEU A 76 -6.883 4.124 0.170 1.00 0.00 C ATOM 228 CD1 LEU A 76 -5.804 4.387 1.223 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.523 2.843 -0.600 1.00 0.00 C ATOM 0 H LEU A 76 -9.355 2.531 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.888 2.233 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.999 4.514 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.262 4.893 1.633 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.926 4.909 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.821 4.358 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.963 5.368 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.858 3.622 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.519 2.937 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.557 1.990 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.237 2.693 -1.410 1.00 0.00 H new ATOM 241 N ASP A 77 -10.896 3.276 2.418 1.00 0.00 N ATOM 242 CA ASP A 77 -11.844 3.483 3.505 1.00 0.00 C ATOM 243 C ASP A 77 -12.130 2.146 4.211 1.00 0.00 C ATOM 244 O ASP A 77 -11.929 2.021 5.418 1.00 0.00 O ATOM 245 CB ASP A 77 -13.088 4.201 2.973 1.00 0.00 C ATOM 246 CG ASP A 77 -14.075 4.464 4.090 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.745 3.484 4.473 1.00 0.00 O ATOM 248 OD2 ASP A 77 -14.137 5.620 4.551 1.00 0.00 O ATOM 0 H ASP A 77 -11.303 3.370 1.488 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.425 4.137 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.799 5.143 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.560 3.595 2.199 1.00 0.00 H new ATOM 253 N LEU A 78 -12.454 1.088 3.458 1.00 0.00 N ATOM 254 CA LEU A 78 -12.566 -0.255 4.003 1.00 0.00 C ATOM 255 C LEU A 78 -11.331 -0.649 4.825 1.00 0.00 C ATOM 256 O LEU A 78 -11.470 -1.214 5.912 1.00 0.00 O ATOM 257 CB LEU A 78 -12.813 -1.269 2.882 1.00 0.00 C ATOM 258 CG LEU A 78 -14.188 -1.167 2.207 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.265 -2.228 1.106 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.349 -1.388 3.185 1.00 0.00 C ATOM 0 H LEU A 78 -12.644 1.146 2.458 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.420 -0.261 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.042 -1.143 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.698 -2.274 3.289 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.287 -0.158 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.236 -2.172 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.476 -2.051 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.138 -3.218 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.296 -1.304 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.268 -2.381 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.309 -0.636 3.973 1.00 0.00 H new ATOM 272 N TYR A 79 -10.115 -0.368 4.343 1.00 0.00 N ATOM 273 CA TYR A 79 -8.915 -0.585 5.139 1.00 0.00 C ATOM 274 C TYR A 79 -9.008 0.053 6.533 1.00 0.00 C ATOM 275 O TYR A 79 -8.825 -0.668 7.517 1.00 0.00 O ATOM 276 CB TYR A 79 -7.661 -0.118 4.394 1.00 0.00 C ATOM 277 CG TYR A 79 -7.178 -1.041 3.304 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.829 -2.373 3.583 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.034 -0.557 1.997 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.586 -3.256 2.518 1.00 0.00 C ATOM 281 CE2 TYR A 79 -6.843 -1.447 0.942 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.768 -2.810 1.201 1.00 0.00 C ATOM 283 OH TYR A 79 -6.689 -3.687 0.168 1.00 0.00 O ATOM 0 H TYR A 79 -9.943 0.008 3.411 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.834 -1.661 5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.861 0.860 3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.857 0.015 5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.748 -2.714 4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.071 0.506 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.262 -4.268 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.754 -1.080 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.531 -4.589 0.516 1.00 0.00 H new ATOM 293 N GLU A 80 -9.328 1.343 6.663 1.00 0.00 N ATOM 294 CA GLU A 80 -9.405 1.977 7.987 1.00 0.00 C ATOM 295 C GLU A 80 -10.685 1.633 8.782 1.00 0.00 C ATOM 296 O GLU A 80 -10.635 1.490 10.004 1.00 0.00 O ATOM 297 CB GLU A 80 -9.061 3.469 7.915 1.00 0.00 C ATOM 298 CG GLU A 80 -7.551 3.694 7.655 1.00 0.00 C ATOM 299 CD GLU A 80 -6.593 3.458 8.832 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.986 2.781 9.810 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.449 3.948 8.739 1.00 0.00 O ATOM 0 H GLU A 80 -9.536 1.964 5.881 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.625 1.525 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.641 3.939 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.346 3.954 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.248 3.041 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.417 4.719 7.311 1.00 0.00 H new ATOM 308 N GLN A 81 -11.800 1.303 8.124 1.00 0.00 N ATOM 309 CA GLN A 81 -12.876 0.532 8.769 1.00 0.00 C ATOM 310 C GLN A 81 -12.360 -0.811 9.328 1.00 0.00 C ATOM 311 O GLN A 81 -12.922 -1.392 10.260 1.00 0.00 O ATOM 312 CB GLN A 81 -14.038 0.259 7.806 1.00 0.00 C ATOM 313 CG GLN A 81 -14.816 1.508 7.368 1.00 0.00 C ATOM 314 CD GLN A 81 -16.140 1.128 6.709 1.00 0.00 C ATOM 315 OE1 GLN A 81 -16.891 0.306 7.224 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.464 1.693 5.566 1.00 0.00 N ATOM 0 H GLN A 81 -11.984 1.554 7.153 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.236 1.147 9.594 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.647 -0.239 6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.731 -0.435 8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.006 2.144 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.213 2.090 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.838 2.376 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.341 1.448 5.106 1.00 0.00 H new ATOM 325 N SER A 82 -11.282 -1.340 8.749 1.00 0.00 N ATOM 326 CA SER A 82 -10.532 -2.481 9.260 1.00 0.00 C ATOM 327 C SER A 82 -9.342 -2.123 10.174 1.00 0.00 C ATOM 328 O SER A 82 -8.639 -3.044 10.601 1.00 0.00 O ATOM 329 CB SER A 82 -10.104 -3.374 8.089 1.00 0.00 C ATOM 330 OG SER A 82 -11.034 -4.447 8.031 1.00 0.00 O ATOM 0 H SER A 82 -10.896 -0.970 7.880 1.00 0.00 H new ATOM 0 HA SER A 82 -11.208 -3.027 9.918 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.103 -2.812 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.091 -3.748 8.238 1.00 0.00 H new ATOM 0 HG SER A 82 -11.946 -4.094 8.098 1.00 0.00 H new ATOM 336 N ASN A 83 -9.142 -0.840 10.480 1.00 0.00 N ATOM 337 CA ASN A 83 -7.897 -0.192 10.901 1.00 0.00 C ATOM 338 C ASN A 83 -6.622 -0.697 10.204 1.00 0.00 C ATOM 339 O ASN A 83 -5.763 -1.307 10.841 1.00 0.00 O ATOM 340 CB ASN A 83 -7.748 -0.103 12.423 1.00 0.00 C ATOM 341 CG ASN A 83 -6.449 0.617 12.797 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.628 0.094 13.549 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.157 1.770 12.222 1.00 0.00 N ATOM 0 H ASN A 83 -9.911 -0.171 10.436 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.007 0.830 10.538 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.600 0.429 12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.752 -1.104 12.853 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.258 2.217 12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.830 2.213 11.597 1.00 0.00 H new ATOM 350 N ILE A 84 -6.486 -0.434 8.909 1.00 0.00 N ATOM 351 CA ILE A 84 -5.270 -0.651 8.133 1.00 0.00 C ATOM 352 C ILE A 84 -4.781 0.654 7.503 1.00 0.00 C ATOM 353 O ILE A 84 -5.351 1.123 6.523 1.00 0.00 O ATOM 354 CB ILE A 84 -5.490 -1.752 7.085 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.474 -3.088 7.827 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.379 -1.757 6.015 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.047 -4.225 6.998 1.00 0.00 C ATOM 0 H ILE A 84 -7.248 -0.050 8.350 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.483 -0.992 8.806 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.436 -1.578 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.449 -3.330 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.045 -2.993 8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.573 -2.551 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.364 -0.795 5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.414 -1.929 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.011 -5.150 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.081 -4.000 6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.461 -4.342 6.087 1.00 0.00 H new ATOM 369 N ARG A 85 -3.652 1.171 7.977 1.00 0.00 N ATOM 370 CA ARG A 85 -2.974 2.231 7.247 1.00 0.00 C ATOM 371 C ARG A 85 -2.307 1.646 5.989 1.00 0.00 C ATOM 372 O ARG A 85 -1.904 0.479 5.956 1.00 0.00 O ATOM 373 CB ARG A 85 -2.013 2.988 8.180 1.00 0.00 C ATOM 374 CG ARG A 85 -1.875 4.460 7.759 1.00 0.00 C ATOM 375 CD ARG A 85 -1.155 5.295 8.825 1.00 0.00 C ATOM 376 NE ARG A 85 0.293 5.000 8.909 1.00 0.00 N ATOM 377 CZ ARG A 85 1.276 5.707 8.332 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.015 6.569 7.371 1.00 0.00 N ATOM 379 NH2 ARG A 85 2.535 5.564 8.697 1.00 0.00 N ATOM 0 H ARG A 85 -3.197 0.881 8.843 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.688 2.975 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.379 2.933 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.034 2.509 8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.325 4.519 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.864 4.880 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.292 6.353 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.615 5.110 9.796 1.00 0.00 H new ATOM 0 HE ARG A 85 0.569 4.184 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.055 6.706 7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.773 7.099 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.780 4.903 9.434 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.264 6.114 8.242 1.00 0.00 H new ATOM 393 N ILE A 86 -2.216 2.435 4.922 1.00 0.00 N ATOM 394 CA ILE A 86 -1.651 2.033 3.631 1.00 0.00 C ATOM 395 C ILE A 86 -0.365 2.836 3.353 1.00 0.00 C ATOM 396 O ILE A 86 -0.400 4.062 3.446 1.00 0.00 O ATOM 397 CB ILE A 86 -2.736 2.210 2.552 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.875 1.174 2.695 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.140 2.131 1.149 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.501 -0.272 2.324 1.00 0.00 C ATOM 0 H ILE A 86 -2.542 3.401 4.929 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.356 0.984 3.631 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.161 3.203 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.228 1.187 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.710 1.488 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.931 2.260 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.396 2.918 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.667 1.159 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.368 -0.918 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.179 -0.309 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.690 -0.614 2.967 1.00 0.00 H new ATOM 412 N PRO A 87 0.781 2.186 3.064 1.00 0.00 N ATOM 413 CA PRO A 87 1.988 2.887 2.643 1.00 0.00 C ATOM 414 C PRO A 87 1.726 3.740 1.399 1.00 0.00 C ATOM 415 O PRO A 87 1.200 3.231 0.413 1.00 0.00 O ATOM 416 CB PRO A 87 3.024 1.795 2.338 1.00 0.00 C ATOM 417 CG PRO A 87 2.548 0.600 3.159 1.00 0.00 C ATOM 418 CD PRO A 87 1.029 0.752 3.141 1.00 0.00 C ATOM 0 HA PRO A 87 2.337 3.569 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.057 1.561 1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.028 2.105 2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.864 -0.345 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.944 0.625 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.593 0.232 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.581 0.324 4.038 1.00 0.00 H new ATOM 426 N SER A 88 2.116 5.013 1.412 1.00 0.00 N ATOM 427 CA SER A 88 1.983 5.931 0.281 1.00 0.00 C ATOM 428 C SER A 88 2.400 5.315 -1.066 1.00 0.00 C ATOM 429 O SER A 88 1.717 5.516 -2.060 1.00 0.00 O ATOM 430 CB SER A 88 2.750 7.216 0.605 1.00 0.00 C ATOM 431 OG SER A 88 2.382 7.651 1.906 1.00 0.00 O ATOM 0 H SER A 88 2.544 5.446 2.230 1.00 0.00 H new ATOM 0 HA SER A 88 0.926 6.162 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.824 7.037 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.522 7.988 -0.130 1.00 0.00 H new ATOM 0 HG SER A 88 2.868 8.473 2.126 1.00 0.00 H new ATOM 437 N ASP A 89 3.462 4.507 -1.101 1.00 0.00 N ATOM 438 CA ASP A 89 3.863 3.710 -2.259 1.00 0.00 C ATOM 439 C ASP A 89 2.712 2.932 -2.941 1.00 0.00 C ATOM 440 O ASP A 89 2.617 2.893 -4.164 1.00 0.00 O ATOM 441 CB ASP A 89 4.962 2.750 -1.790 1.00 0.00 C ATOM 442 CG ASP A 89 6.190 3.479 -1.304 1.00 0.00 C ATOM 443 OD1 ASP A 89 6.117 4.051 -0.201 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.214 3.403 -2.017 1.00 0.00 O ATOM 0 H ASP A 89 4.083 4.387 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 89 4.216 4.395 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.574 2.121 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.237 2.087 -2.610 1.00 0.00 H new ATOM 449 N ILE A 90 1.839 2.289 -2.159 1.00 0.00 N ATOM 450 CA ILE A 90 0.621 1.669 -2.692 1.00 0.00 C ATOM 451 C ILE A 90 -0.209 2.713 -3.447 1.00 0.00 C ATOM 452 O ILE A 90 -0.561 2.531 -4.607 1.00 0.00 O ATOM 453 CB ILE A 90 -0.220 1.072 -1.542 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.460 -0.078 -0.783 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.628 0.666 -2.005 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.583 -1.354 -1.609 1.00 0.00 C ATOM 0 H ILE A 90 1.954 2.184 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 90 0.906 0.870 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.312 1.887 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.454 0.241 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.107 -0.293 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.182 0.252 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.152 1.542 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.550 -0.084 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.072 -2.126 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.410 -1.695 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.175 -1.154 -2.502 1.00 0.00 H new ATOM 468 N ILE A 91 -0.542 3.812 -2.771 1.00 0.00 N ATOM 469 CA ILE A 91 -1.427 4.856 -3.284 1.00 0.00 C ATOM 470 C ILE A 91 -0.844 5.500 -4.553 1.00 0.00 C ATOM 471 O ILE A 91 -1.560 5.730 -5.528 1.00 0.00 O ATOM 472 CB ILE A 91 -1.676 5.871 -2.149 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.414 5.176 -0.990 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.470 7.084 -2.641 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.394 5.972 0.320 1.00 0.00 C ATOM 0 H ILE A 91 -0.196 4.005 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.385 4.434 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.711 6.237 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.449 5.002 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.963 4.199 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.626 7.777 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.915 7.585 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.435 6.755 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.933 5.420 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.362 6.124 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.872 6.939 0.165 1.00 0.00 H new ATOM 487 N GLU A 92 0.465 5.755 -4.548 1.00 0.00 N ATOM 488 CA GLU A 92 1.232 6.217 -5.697 1.00 0.00 C ATOM 489 C GLU A 92 0.901 5.403 -6.958 1.00 0.00 C ATOM 490 O GLU A 92 0.411 5.971 -7.942 1.00 0.00 O ATOM 491 CB GLU A 92 2.726 6.189 -5.322 1.00 0.00 C ATOM 492 CG GLU A 92 3.701 6.360 -6.506 1.00 0.00 C ATOM 493 CD GLU A 92 3.398 7.561 -7.372 1.00 0.00 C ATOM 494 OE1 GLU A 92 2.950 8.591 -6.835 1.00 0.00 O ATOM 495 OE2 GLU A 92 3.385 7.423 -8.610 1.00 0.00 O ATOM 0 H GLU A 92 1.037 5.640 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 92 0.962 7.243 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.918 6.980 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.943 5.243 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.716 6.448 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.672 5.462 -7.122 1.00 0.00 H new ATOM 502 N ASP A 93 1.119 4.086 -6.899 1.00 0.00 N ATOM 503 CA ASP A 93 0.902 3.182 -8.014 1.00 0.00 C ATOM 504 C ASP A 93 -0.592 2.980 -8.317 1.00 0.00 C ATOM 505 O ASP A 93 -1.030 3.153 -9.451 1.00 0.00 O ATOM 506 CB ASP A 93 1.639 1.874 -7.720 1.00 0.00 C ATOM 507 CG ASP A 93 1.458 0.889 -8.853 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.516 1.320 -10.020 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.229 -0.293 -8.535 1.00 0.00 O ATOM 0 H ASP A 93 1.457 3.618 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 93 1.309 3.617 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.700 2.075 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.265 1.441 -6.792 1.00 0.00 H new ATOM 514 N LEU A 94 -1.403 2.673 -7.301 1.00 0.00 N ATOM 515 CA LEU A 94 -2.854 2.524 -7.471 1.00 0.00 C ATOM 516 C LEU A 94 -3.451 3.691 -8.279 1.00 0.00 C ATOM 517 O LEU A 94 -4.013 3.469 -9.350 1.00 0.00 O ATOM 518 CB LEU A 94 -3.571 2.356 -6.113 1.00 0.00 C ATOM 519 CG LEU A 94 -4.007 0.915 -5.805 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.080 0.392 -6.767 1.00 0.00 C ATOM 521 CD2 LEU A 94 -2.795 -0.012 -5.777 1.00 0.00 C ATOM 0 H LEU A 94 -1.078 2.522 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.020 1.611 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.908 2.700 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.450 3.001 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.468 0.928 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.345 -0.630 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.965 1.025 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.694 0.409 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.120 -1.029 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.298 0.009 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.100 0.321 -5.006 1.00 0.00 H new ATOM 533 N VAL A 95 -3.209 4.934 -7.855 1.00 0.00 N ATOM 534 CA VAL A 95 -3.631 6.124 -8.601 1.00 0.00 C ATOM 535 C VAL A 95 -3.025 6.184 -10.021 1.00 0.00 C ATOM 536 O VAL A 95 -3.684 6.637 -10.964 1.00 0.00 O ATOM 537 CB VAL A 95 -3.345 7.393 -7.775 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.679 8.670 -8.557 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.195 7.399 -6.495 1.00 0.00 C ATOM 0 H VAL A 95 -2.716 5.144 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.708 6.061 -8.757 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.281 7.379 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.463 9.542 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.076 8.710 -9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.736 8.667 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.983 8.301 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.252 7.378 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.954 6.522 -5.894 1.00 0.00 H new ATOM 549 N ASN A 96 -1.787 5.719 -10.231 1.00 0.00 N ATOM 550 CA ASN A 96 -1.259 5.553 -11.591 1.00 0.00 C ATOM 551 C ASN A 96 -2.126 4.599 -12.426 1.00 0.00 C ATOM 552 O ASN A 96 -2.483 4.940 -13.555 1.00 0.00 O ATOM 553 CB ASN A 96 0.215 5.113 -11.610 1.00 0.00 C ATOM 554 CG ASN A 96 1.139 6.136 -10.970 1.00 0.00 C ATOM 555 OD1 ASN A 96 0.863 7.333 -10.984 1.00 0.00 O ATOM 556 ND2 ASN A 96 2.247 5.699 -10.406 1.00 0.00 N ATOM 0 H ASN A 96 -1.140 5.454 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.301 6.540 -12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.313 4.162 -11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.526 4.943 -12.641 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.892 6.358 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.459 4.701 -10.404 1.00 0.00 H new ATOM 563 N GLN A 97 -2.512 3.441 -11.888 1.00 0.00 N ATOM 564 CA GLN A 97 -3.293 2.434 -12.612 1.00 0.00 C ATOM 565 C GLN A 97 -4.812 2.721 -12.645 1.00 0.00 C ATOM 566 O GLN A 97 -5.366 3.018 -13.707 1.00 0.00 O ATOM 567 CB GLN A 97 -2.991 1.025 -12.066 1.00 0.00 C ATOM 568 CG GLN A 97 -1.501 0.713 -11.818 1.00 0.00 C ATOM 569 CD GLN A 97 -0.558 1.111 -12.947 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.910 1.080 -14.121 1.00 0.00 O ATOM 571 NE2 GLN A 97 0.660 1.495 -12.622 1.00 0.00 N ATOM 0 H GLN A 97 -2.290 3.172 -10.929 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.974 2.486 -13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.532 0.894 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.386 0.290 -12.768 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.186 1.222 -10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.395 -0.357 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.943 1.517 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.319 1.770 -13.350 1.00 0.00 H new ATOM 580 N ARG A 98 -5.473 2.624 -11.490 1.00 0.00 N ATOM 581 CA ARG A 98 -6.925 2.608 -11.264 1.00 0.00 C ATOM 582 C ARG A 98 -7.596 1.391 -11.914 1.00 0.00 C ATOM 583 O ARG A 98 -8.018 1.430 -13.069 1.00 0.00 O ATOM 584 CB ARG A 98 -7.592 3.913 -11.703 1.00 0.00 C ATOM 585 CG ARG A 98 -7.118 5.091 -10.845 1.00 0.00 C ATOM 586 CD ARG A 98 -7.022 6.417 -11.602 1.00 0.00 C ATOM 587 NE ARG A 98 -5.893 6.378 -12.556 1.00 0.00 N ATOM 588 CZ ARG A 98 -5.918 5.990 -13.831 1.00 0.00 C ATOM 589 NH1 ARG A 98 -7.065 5.784 -14.456 1.00 0.00 N ATOM 590 NH2 ARG A 98 -4.805 5.789 -14.505 1.00 0.00 N ATOM 0 H ARG A 98 -4.964 2.548 -10.610 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.068 2.520 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.363 4.107 -12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.675 3.815 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.802 5.213 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.140 4.852 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.953 6.608 -12.136 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.885 7.237 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.989 6.684 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.947 5.922 -13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.068 5.487 -15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.902 5.930 -14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.846 5.492 -15.480 1.00 0.00 H new ATOM 604 N LEU A 99 -7.684 0.294 -11.163 1.00 0.00 N ATOM 605 CA LEU A 99 -8.214 -0.972 -11.661 1.00 0.00 C ATOM 606 C LEU A 99 -9.748 -0.958 -11.799 1.00 0.00 C ATOM 607 O LEU A 99 -10.415 0.017 -11.455 1.00 0.00 O ATOM 608 CB LEU A 99 -7.676 -2.124 -10.799 1.00 0.00 C ATOM 609 CG LEU A 99 -6.160 -2.014 -10.536 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.692 -3.259 -9.790 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.348 -1.908 -11.834 1.00 0.00 C ATOM 0 H LEU A 99 -7.388 0.260 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.860 -1.130 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.206 -2.137 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.887 -3.072 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.997 -1.108 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.621 -3.188 -9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.224 -3.336 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.896 -4.143 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.287 -1.833 -11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.520 -2.795 -12.444 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.659 -1.021 -12.386 1.00 0.00 H new ATOM 623 N GLN A 100 -10.323 -2.040 -12.336 1.00 0.00 N ATOM 624 CA GLN A 100 -11.693 -2.053 -12.857 1.00 0.00 C ATOM 625 C GLN A 100 -12.735 -1.661 -11.806 1.00 0.00 C ATOM 626 O GLN A 100 -13.714 -0.982 -12.108 1.00 0.00 O ATOM 627 CB GLN A 100 -12.039 -3.444 -13.402 1.00 0.00 C ATOM 628 CG GLN A 100 -11.066 -3.964 -14.467 1.00 0.00 C ATOM 629 CD GLN A 100 -11.612 -5.184 -15.203 1.00 0.00 C ATOM 630 OE1 GLN A 100 -11.657 -5.215 -16.423 1.00 0.00 O ATOM 631 NE2 GLN A 100 -12.051 -6.209 -14.495 1.00 0.00 N ATOM 0 H GLN A 100 -9.846 -2.938 -12.421 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.726 -1.309 -13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.063 -4.151 -12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.043 -3.416 -13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.860 -3.171 -15.186 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.118 -4.221 -13.995 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.012 -6.179 -13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.429 -7.030 -14.967 1.00 0.00 H new ATOM 640 N SER A 101 -12.527 -2.144 -10.585 1.00 0.00 N ATOM 641 CA SER A 101 -13.413 -1.908 -9.449 1.00 0.00 C ATOM 642 C SER A 101 -12.787 -2.364 -8.125 1.00 0.00 C ATOM 643 O SER A 101 -11.695 -2.933 -8.086 1.00 0.00 O ATOM 644 CB SER A 101 -14.793 -2.556 -9.692 1.00 0.00 C ATOM 645 OG SER A 101 -14.663 -3.852 -10.253 1.00 0.00 O ATOM 0 H SER A 101 -11.720 -2.723 -10.352 1.00 0.00 H new ATOM 0 HA SER A 101 -13.561 -0.832 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.339 -2.618 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.380 -1.926 -10.360 1.00 0.00 H new ATOM 0 HG SER A 101 -14.008 -4.367 -9.737 1.00 0.00 H new ATOM 651 N GLU A 102 -13.507 -2.075 -7.049 1.00 0.00 N ATOM 652 CA GLU A 102 -13.219 -2.332 -5.644 1.00 0.00 C ATOM 653 C GLU A 102 -12.482 -3.655 -5.411 1.00 0.00 C ATOM 654 O GLU A 102 -11.396 -3.687 -4.836 1.00 0.00 O ATOM 655 CB GLU A 102 -14.526 -2.246 -4.835 1.00 0.00 C ATOM 656 CG GLU A 102 -15.347 -0.975 -5.150 1.00 0.00 C ATOM 657 CD GLU A 102 -16.239 -1.128 -6.374 1.00 0.00 C ATOM 658 OE1 GLU A 102 -17.240 -1.862 -6.278 1.00 0.00 O ATOM 659 OE2 GLU A 102 -15.806 -0.618 -7.432 1.00 0.00 O ATOM 0 H GLU A 102 -14.405 -1.603 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.530 -1.563 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.135 -3.126 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.290 -2.266 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.964 -0.725 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.665 -0.139 -5.307 1.00 0.00 H new ATOM 666 N GLN A 103 -13.038 -4.760 -5.903 1.00 0.00 N ATOM 667 CA GLN A 103 -12.425 -6.063 -5.690 1.00 0.00 C ATOM 668 C GLN A 103 -11.035 -6.151 -6.331 1.00 0.00 C ATOM 669 O GLN A 103 -10.090 -6.658 -5.730 1.00 0.00 O ATOM 670 CB GLN A 103 -13.343 -7.205 -6.135 1.00 0.00 C ATOM 671 CG GLN A 103 -12.676 -8.525 -5.705 1.00 0.00 C ATOM 672 CD GLN A 103 -13.565 -9.752 -5.782 1.00 0.00 C ATOM 673 OE1 GLN A 103 -14.713 -9.708 -6.198 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.038 -10.887 -5.362 1.00 0.00 N ATOM 0 H GLN A 103 -13.902 -4.777 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.282 -6.179 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.328 -7.106 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.488 -7.182 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.799 -8.691 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.320 -8.417 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.078 -10.907 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.591 -11.744 -5.382 1.00 0.00 H new ATOM 683 N GLU A 104 -10.891 -5.651 -7.551 1.00 0.00 N ATOM 684 CA GLU A 104 -9.615 -5.685 -8.241 1.00 0.00 C ATOM 685 C GLU A 104 -8.567 -4.785 -7.572 1.00 0.00 C ATOM 686 O GLU A 104 -7.412 -5.197 -7.434 1.00 0.00 O ATOM 687 CB GLU A 104 -9.834 -5.407 -9.731 1.00 0.00 C ATOM 688 CG GLU A 104 -10.657 -6.564 -10.339 1.00 0.00 C ATOM 689 CD GLU A 104 -12.087 -6.192 -10.661 1.00 0.00 C ATOM 690 OE1 GLU A 104 -12.790 -5.643 -9.788 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.495 -6.447 -11.813 1.00 0.00 O ATOM 0 H GLU A 104 -11.646 -5.217 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.186 -6.684 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.358 -4.461 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.876 -5.316 -10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.167 -6.907 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.657 -7.402 -9.642 1.00 0.00 H new ATOM 698 N VAL A 105 -8.949 -3.595 -7.091 1.00 0.00 N ATOM 699 CA VAL A 105 -7.999 -2.800 -6.310 1.00 0.00 C ATOM 700 C VAL A 105 -7.641 -3.507 -4.997 1.00 0.00 C ATOM 701 O VAL A 105 -6.461 -3.701 -4.725 1.00 0.00 O ATOM 702 CB VAL A 105 -8.391 -1.322 -6.137 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.417 -0.587 -7.481 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.747 -1.127 -5.473 1.00 0.00 C ATOM 0 H VAL A 105 -9.870 -3.176 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.086 -2.741 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.622 -0.907 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.698 0.454 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.429 -0.630 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.143 -1.061 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.958 -0.061 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.520 -1.601 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.735 -1.579 -4.481 1.00 0.00 H new ATOM 714 N LEU A 106 -8.609 -3.988 -4.211 1.00 0.00 N ATOM 715 CA LEU A 106 -8.256 -4.681 -2.967 1.00 0.00 C ATOM 716 C LEU A 106 -7.421 -5.950 -3.206 1.00 0.00 C ATOM 717 O LEU A 106 -6.513 -6.233 -2.432 1.00 0.00 O ATOM 718 CB LEU A 106 -9.449 -4.854 -2.008 1.00 0.00 C ATOM 719 CG LEU A 106 -10.552 -5.800 -2.477 1.00 0.00 C ATOM 720 CD1 LEU A 106 -10.319 -7.249 -2.059 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.898 -5.355 -1.892 1.00 0.00 C ATOM 0 H LEU A 106 -9.608 -3.915 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.583 -4.018 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.071 -5.214 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.890 -3.874 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.549 -5.755 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.138 -7.869 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.379 -7.603 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.273 -7.311 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.683 -6.032 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.845 -5.373 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.124 -4.343 -2.227 1.00 0.00 H new ATOM 733 N ASN A 107 -7.655 -6.704 -4.288 1.00 0.00 N ATOM 734 CA ASN A 107 -6.776 -7.808 -4.698 1.00 0.00 C ATOM 735 C ASN A 107 -5.320 -7.332 -4.892 1.00 0.00 C ATOM 736 O ASN A 107 -4.383 -7.827 -4.255 1.00 0.00 O ATOM 737 CB ASN A 107 -7.269 -8.434 -6.015 1.00 0.00 C ATOM 738 CG ASN A 107 -8.609 -9.153 -5.949 1.00 0.00 C ATOM 739 OD1 ASN A 107 -9.083 -9.570 -4.897 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.227 -9.347 -7.104 1.00 0.00 N ATOM 0 H ASN A 107 -8.457 -6.567 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.804 -8.550 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.338 -7.647 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.516 -9.141 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.113 -9.851 -7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.817 -8.992 -7.968 1.00 0.00 H new ATOM 747 N TYR A 108 -5.126 -6.377 -5.804 1.00 0.00 N ATOM 748 CA TYR A 108 -3.819 -5.827 -6.152 1.00 0.00 C ATOM 749 C TYR A 108 -3.110 -5.240 -4.921 1.00 0.00 C ATOM 750 O TYR A 108 -1.989 -5.627 -4.587 1.00 0.00 O ATOM 751 CB TYR A 108 -4.034 -4.797 -7.263 1.00 0.00 C ATOM 752 CG TYR A 108 -2.783 -4.227 -7.905 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.157 -3.107 -7.330 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.423 -4.626 -9.206 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.277 -2.321 -8.093 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.525 -3.847 -9.956 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.979 -2.675 -9.413 1.00 0.00 C ATOM 758 OH TYR A 108 -0.068 -1.988 -10.143 1.00 0.00 O ATOM 0 H TYR A 108 -5.891 -5.957 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.155 -6.612 -6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.639 -5.258 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.616 -3.970 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.353 -2.850 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.837 -5.530 -9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.829 -1.440 -7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.254 -4.153 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 108 0.501 -1.461 -9.544 1.00 0.00 H new ATOM 768 N ILE A 109 -3.788 -4.348 -4.198 1.00 0.00 N ATOM 769 CA ILE A 109 -3.296 -3.769 -2.953 1.00 0.00 C ATOM 770 C ILE A 109 -2.881 -4.860 -1.961 1.00 0.00 C ATOM 771 O ILE A 109 -1.770 -4.814 -1.448 1.00 0.00 O ATOM 772 CB ILE A 109 -4.349 -2.862 -2.300 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.715 -1.650 -3.162 1.00 0.00 C ATOM 774 CG2 ILE A 109 -3.820 -2.339 -0.960 1.00 0.00 C ATOM 775 CD1 ILE A 109 -5.988 -1.006 -2.608 1.00 0.00 C ATOM 0 H ILE A 109 -4.709 -4.004 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.423 -3.167 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.242 -3.473 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.898 -0.928 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.869 -1.957 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.569 -1.696 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.608 -3.180 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.906 -1.769 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.254 -0.142 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.802 -1.731 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.816 -0.686 -1.580 1.00 0.00 H new ATOM 787 N GLU A 110 -3.724 -5.854 -1.658 1.00 0.00 N ATOM 788 CA GLU A 110 -3.332 -6.910 -0.717 1.00 0.00 C ATOM 789 C GLU A 110 -2.046 -7.637 -1.158 1.00 0.00 C ATOM 790 O GLU A 110 -1.179 -7.948 -0.334 1.00 0.00 O ATOM 791 CB GLU A 110 -4.485 -7.894 -0.461 1.00 0.00 C ATOM 792 CG GLU A 110 -4.721 -8.084 1.047 1.00 0.00 C ATOM 793 CD GLU A 110 -5.282 -6.848 1.721 1.00 0.00 C ATOM 794 OE1 GLU A 110 -6.239 -6.264 1.165 1.00 0.00 O ATOM 795 OE2 GLU A 110 -4.849 -6.571 2.855 1.00 0.00 O ATOM 0 H GLU A 110 -4.664 -5.950 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.104 -6.422 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.396 -7.523 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.257 -8.855 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.408 -8.917 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.780 -8.356 1.525 1.00 0.00 H new ATOM 802 N THR A 111 -1.900 -7.875 -2.462 1.00 0.00 N ATOM 803 CA THR A 111 -0.670 -8.410 -3.051 1.00 0.00 C ATOM 804 C THR A 111 0.537 -7.498 -2.766 1.00 0.00 C ATOM 805 O THR A 111 1.485 -7.905 -2.093 1.00 0.00 O ATOM 806 CB THR A 111 -0.862 -8.680 -4.554 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.038 -9.438 -4.748 1.00 0.00 O ATOM 808 CG2 THR A 111 0.299 -9.495 -5.123 1.00 0.00 C ATOM 0 H THR A 111 -2.637 -7.701 -3.145 1.00 0.00 H new ATOM 0 HA THR A 111 -0.450 -9.366 -2.575 1.00 0.00 H new ATOM 0 HB THR A 111 -0.918 -7.715 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.819 -8.848 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.134 -9.669 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.231 -8.946 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.361 -10.451 -4.604 1.00 0.00 H new ATOM 816 N GLN A 112 0.491 -6.234 -3.192 1.00 0.00 N ATOM 817 CA GLN A 112 1.541 -5.250 -2.921 1.00 0.00 C ATOM 818 C GLN A 112 1.822 -5.043 -1.418 1.00 0.00 C ATOM 819 O GLN A 112 2.950 -4.829 -0.992 1.00 0.00 O ATOM 820 CB GLN A 112 1.139 -3.919 -3.551 1.00 0.00 C ATOM 821 CG GLN A 112 1.039 -3.958 -5.080 1.00 0.00 C ATOM 822 CD GLN A 112 0.921 -2.551 -5.647 1.00 0.00 C ATOM 823 OE1 GLN A 112 0.258 -1.701 -5.067 1.00 0.00 O ATOM 824 NE2 GLN A 112 1.585 -2.296 -6.757 1.00 0.00 N ATOM 0 H GLN A 112 -0.284 -5.861 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 112 2.463 -5.636 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.177 -3.611 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.865 -3.159 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.919 -4.450 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.173 -4.549 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.126 -3.034 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.558 -1.361 -7.164 1.00 0.00 H new ATOM 833 N ARG A 113 0.793 -5.128 -0.584 1.00 0.00 N ATOM 834 CA ARG A 113 0.855 -5.062 0.875 1.00 0.00 C ATOM 835 C ARG A 113 1.476 -6.343 1.474 1.00 0.00 C ATOM 836 O ARG A 113 1.943 -6.397 2.617 1.00 0.00 O ATOM 837 CB ARG A 113 -0.579 -4.819 1.353 1.00 0.00 C ATOM 838 CG ARG A 113 -0.677 -4.525 2.844 1.00 0.00 C ATOM 839 CD ARG A 113 -2.137 -4.271 3.213 1.00 0.00 C ATOM 840 NE ARG A 113 -2.260 -4.163 4.677 1.00 0.00 N ATOM 841 CZ ARG A 113 -2.860 -5.036 5.494 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.521 -6.099 5.087 1.00 0.00 N ATOM 843 NH2 ARG A 113 -2.801 -4.882 6.792 1.00 0.00 N ATOM 0 H ARG A 113 -0.161 -5.252 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 113 1.506 -4.255 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.003 -3.983 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.185 -5.695 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.285 -5.364 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.070 -3.656 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.489 -3.355 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.764 -5.083 2.843 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.846 -3.339 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.600 -6.300 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.954 -6.722 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.294 -4.091 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.262 -5.553 7.407 1.00 0.00 H new ATOM 857 N THR A 114 1.437 -7.441 0.726 1.00 0.00 N ATOM 858 CA THR A 114 2.164 -8.675 1.016 1.00 0.00 C ATOM 859 C THR A 114 3.635 -8.595 0.602 1.00 0.00 C ATOM 860 O THR A 114 4.494 -8.924 1.421 1.00 0.00 O ATOM 861 CB THR A 114 1.370 -9.887 0.528 1.00 0.00 C ATOM 862 OG1 THR A 114 0.156 -9.847 1.265 1.00 0.00 O ATOM 863 CG2 THR A 114 2.077 -11.213 0.811 1.00 0.00 C ATOM 0 H THR A 114 0.881 -7.500 -0.127 1.00 0.00 H new ATOM 0 HA THR A 114 2.240 -8.817 2.094 1.00 0.00 H new ATOM 0 HB THR A 114 1.236 -9.838 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.467 -9.224 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.466 -12.037 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.044 -11.225 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.226 -11.324 1.885 1.00 0.00 H new ATOM 871 N TYR A 115 3.941 -8.016 -0.565 1.00 0.00 N ATOM 872 CA TYR A 115 5.288 -7.486 -0.813 1.00 0.00 C ATOM 873 C TYR A 115 5.765 -6.617 0.360 1.00 0.00 C ATOM 874 O TYR A 115 6.747 -6.966 1.000 1.00 0.00 O ATOM 875 CB TYR A 115 5.369 -6.745 -2.159 1.00 0.00 C ATOM 876 CG TYR A 115 6.568 -5.813 -2.297 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.858 -6.346 -2.487 1.00 0.00 C ATOM 878 CD2 TYR A 115 6.411 -4.419 -2.146 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.977 -5.495 -2.511 1.00 0.00 C ATOM 880 CE2 TYR A 115 7.535 -3.573 -2.174 1.00 0.00 C ATOM 881 CZ TYR A 115 8.818 -4.110 -2.344 1.00 0.00 C ATOM 882 OH TYR A 115 9.914 -3.310 -2.266 1.00 0.00 O ATOM 0 H TYR A 115 3.288 -7.903 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 115 5.971 -8.332 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.402 -7.481 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.456 -6.165 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.988 -7.411 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.425 -4.000 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.964 -5.909 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.408 -2.506 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 115 10.675 -3.829 -1.931 1.00 0.00 H new ATOM 892 N TRP A 116 5.069 -5.533 0.705 1.00 0.00 N ATOM 893 CA TRP A 116 5.523 -4.604 1.737 1.00 0.00 C ATOM 894 C TRP A 116 5.898 -5.259 3.078 1.00 0.00 C ATOM 895 O TRP A 116 6.964 -4.973 3.622 1.00 0.00 O ATOM 896 CB TRP A 116 4.545 -3.430 1.893 1.00 0.00 C ATOM 897 CG TRP A 116 4.820 -2.279 0.978 1.00 0.00 C ATOM 898 CD1 TRP A 116 3.949 -1.676 0.138 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.093 -1.602 0.782 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.611 -0.715 -0.603 1.00 0.00 N ATOM 901 CE2 TRP A 116 5.945 -0.646 -0.262 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.368 -1.717 1.372 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.021 0.120 -0.728 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.455 -0.974 0.892 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.292 -0.062 -0.162 1.00 0.00 C ATOM 0 H TRP A 116 4.179 -5.276 0.278 1.00 0.00 H new ATOM 0 HA TRP A 116 6.471 -4.204 1.378 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.532 -3.789 1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.580 -3.077 2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.898 -1.909 0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.168 -0.131 -1.312 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.509 -2.388 2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.874 0.844 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.430 -1.105 1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.138 0.496 -0.535 1.00 0.00 H new ATOM 916 N LYS A 117 5.084 -6.173 3.621 1.00 0.00 N ATOM 917 CA LYS A 117 5.577 -6.945 4.772 1.00 0.00 C ATOM 918 C LYS A 117 6.846 -7.779 4.477 1.00 0.00 C ATOM 919 O LYS A 117 7.797 -7.695 5.246 1.00 0.00 O ATOM 920 CB LYS A 117 4.485 -7.745 5.502 1.00 0.00 C ATOM 921 CG LYS A 117 3.604 -8.626 4.617 1.00 0.00 C ATOM 922 CD LYS A 117 2.439 -9.192 5.453 1.00 0.00 C ATOM 923 CE LYS A 117 1.261 -9.656 4.584 1.00 0.00 C ATOM 924 NZ LYS A 117 0.526 -8.519 3.978 1.00 0.00 N ATOM 0 H LYS A 117 4.138 -6.390 3.308 1.00 0.00 H new ATOM 0 HA LYS A 117 5.897 -6.183 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.963 -8.377 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.844 -7.045 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.216 -8.046 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.193 -9.441 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.798 -10.031 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.093 -8.429 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.631 -10.309 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.575 -10.247 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.073 -8.867 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.070 -8.067 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.206 -7.825 3.606 1.00 0.00 H new ATOM 938 N LEU A 118 6.911 -8.554 3.388 1.00 0.00 N ATOM 939 CA LEU A 118 8.095 -9.378 3.092 1.00 0.00 C ATOM 940 C LEU A 118 9.366 -8.536 2.852 1.00 0.00 C ATOM 941 O LEU A 118 10.427 -8.784 3.420 1.00 0.00 O ATOM 942 CB LEU A 118 7.806 -10.302 1.902 1.00 0.00 C ATOM 943 CG LEU A 118 6.727 -11.358 2.199 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.351 -12.057 0.889 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.196 -12.408 3.214 1.00 0.00 C ATOM 0 H LEU A 118 6.163 -8.630 2.699 1.00 0.00 H new ATOM 0 HA LEU A 118 8.299 -9.985 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.490 -9.699 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.727 -10.806 1.610 1.00 0.00 H new ATOM 0 HG LEU A 118 5.869 -10.846 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.586 -12.809 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.965 -11.322 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.233 -12.538 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.397 -13.129 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.073 -12.925 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.452 -11.917 4.153 1.00 0.00 H new ATOM 957 N GLU A 119 9.259 -7.492 2.038 1.00 0.00 N ATOM 958 CA GLU A 119 10.214 -6.396 1.925 1.00 0.00 C ATOM 959 C GLU A 119 10.672 -5.913 3.313 1.00 0.00 C ATOM 960 O GLU A 119 11.858 -5.904 3.642 1.00 0.00 O ATOM 961 CB GLU A 119 9.521 -5.302 1.105 1.00 0.00 C ATOM 962 CG GLU A 119 10.303 -3.990 0.960 1.00 0.00 C ATOM 963 CD GLU A 119 11.679 -4.143 0.354 1.00 0.00 C ATOM 964 OE1 GLU A 119 11.780 -4.686 -0.768 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.641 -3.750 1.040 1.00 0.00 O ATOM 0 H GLU A 119 8.465 -7.382 1.408 1.00 0.00 H new ATOM 0 HA GLU A 119 11.130 -6.708 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.315 -5.694 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.558 -5.082 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.723 -3.303 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.402 -3.531 1.943 1.00 0.00 H new ATOM 972 N ASN A 120 9.732 -5.554 4.185 1.00 0.00 N ATOM 973 CA ASN A 120 10.058 -5.103 5.534 1.00 0.00 C ATOM 974 C ASN A 120 10.680 -6.193 6.415 1.00 0.00 C ATOM 975 O ASN A 120 11.470 -5.874 7.297 1.00 0.00 O ATOM 976 CB ASN A 120 8.860 -4.395 6.170 1.00 0.00 C ATOM 977 CG ASN A 120 8.566 -3.064 5.487 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.047 -2.755 4.407 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.839 -2.189 6.146 1.00 0.00 N ATOM 0 H ASN A 120 8.733 -5.567 3.979 1.00 0.00 H new ATOM 0 HA ASN A 120 10.855 -4.364 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.982 -5.038 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.057 -4.226 7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.680 -1.260 5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.434 -2.439 7.048 1.00 0.00 H new ATOM 986 N GLN A 121 10.375 -7.458 6.142 1.00 0.00 N ATOM 987 CA GLN A 121 10.957 -8.635 6.785 1.00 0.00 C ATOM 988 C GLN A 121 12.434 -8.862 6.399 1.00 0.00 C ATOM 989 O GLN A 121 13.159 -9.552 7.109 1.00 0.00 O ATOM 990 CB GLN A 121 10.066 -9.836 6.434 1.00 0.00 C ATOM 991 CG GLN A 121 10.297 -11.103 7.262 1.00 0.00 C ATOM 992 CD GLN A 121 9.249 -12.148 6.895 1.00 0.00 C ATOM 993 OE1 GLN A 121 8.247 -12.302 7.574 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.429 -12.843 5.784 1.00 0.00 N ATOM 0 H GLN A 121 9.683 -7.703 5.434 1.00 0.00 H new ATOM 0 HA GLN A 121 10.982 -8.489 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.024 -9.536 6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.216 -10.080 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.297 -11.495 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.238 -10.871 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.272 -12.704 5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 121 8.725 -13.518 5.485 1.00 0.00 H new ATOM 1003 N LYS A 122 12.908 -8.284 5.289 1.00 0.00 N ATOM 1004 CA LYS A 122 14.309 -8.390 4.887 1.00 0.00 C ATOM 1005 C LYS A 122 15.295 -7.902 5.976 1.00 0.00 C ATOM 1006 O LYS A 122 15.197 -6.784 6.474 1.00 0.00 O ATOM 1007 CB LYS A 122 14.541 -7.574 3.611 1.00 0.00 C ATOM 1008 CG LYS A 122 13.818 -8.069 2.347 1.00 0.00 C ATOM 1009 CD LYS A 122 14.118 -7.040 1.245 1.00 0.00 C ATOM 1010 CE LYS A 122 13.656 -7.434 -0.166 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.871 -6.321 -1.122 1.00 0.00 N ATOM 0 H LYS A 122 12.333 -7.734 4.651 1.00 0.00 H new ATOM 0 HA LYS A 122 14.505 -9.449 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.233 -6.546 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.612 -7.554 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.171 -9.059 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.745 -8.151 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 122 13.644 -6.096 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.193 -6.862 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.203 -8.316 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.600 -7.703 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 12.957 -5.882 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.497 -5.610 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.310 -6.689 -1.990 1.00 0.00 H new ATOM 1025 N LYS A 123 16.306 -8.717 6.287 1.00 0.00 N ATOM 1026 CA LYS A 123 17.444 -8.346 7.137 1.00 0.00 C ATOM 1027 C LYS A 123 18.173 -7.061 6.690 1.00 0.00 C ATOM 1028 O LYS A 123 18.409 -6.887 5.495 1.00 0.00 O ATOM 1029 CB LYS A 123 18.425 -9.538 7.187 1.00 0.00 C ATOM 1030 CG LYS A 123 18.965 -10.009 5.818 1.00 0.00 C ATOM 1031 CD LYS A 123 20.293 -9.343 5.404 1.00 0.00 C ATOM 1032 CE LYS A 123 20.447 -9.217 3.877 1.00 0.00 C ATOM 1033 NZ LYS A 123 19.490 -8.236 3.321 1.00 0.00 N ATOM 0 H LYS A 123 16.359 -9.677 5.947 1.00 0.00 H new ATOM 0 HA LYS A 123 17.050 -8.119 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.271 -9.264 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.926 -10.378 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.106 -11.089 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.215 -9.806 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.353 -8.352 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.125 -9.924 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.465 -8.912 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.286 -10.189 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.813 -7.931 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.551 -8.675 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.433 -7.411 3.952 1.00 0.00 H new ATOM 1047 N LEU A 124 18.621 -6.228 7.642 1.00 0.00 N ATOM 1048 CA LEU A 124 19.738 -5.274 7.491 1.00 0.00 C ATOM 1049 C LEU A 124 20.738 -5.489 8.633 1.00 0.00 C ATOM 1050 O LEU A 124 20.363 -5.374 9.803 1.00 0.00 O ATOM 1051 CB LEU A 124 19.268 -3.806 7.502 1.00 0.00 C ATOM 1052 CG LEU A 124 20.163 -2.820 6.707 1.00 0.00 C ATOM 1053 CD1 LEU A 124 19.972 -1.404 7.228 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.680 -3.022 6.764 1.00 0.00 C ATOM 0 H LEU A 124 18.203 -6.197 8.572 1.00 0.00 H new ATOM 0 HA LEU A 124 20.202 -5.462 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.257 -3.762 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.212 -3.467 8.536 1.00 0.00 H new ATOM 0 HG LEU A 124 19.833 -3.007 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.605 -0.720 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 124 18.928 -1.112 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 124 20.246 -1.364 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.172 -2.259 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 124 22.019 -2.943 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 124 21.931 -4.009 6.375 1.00 0.00 H new ATOM 1066 N TYR A 125 21.996 -5.777 8.317 1.00 0.00 N ATOM 1067 CA TYR A 125 23.058 -6.096 9.285 1.00 0.00 C ATOM 1068 C TYR A 125 23.574 -4.901 10.128 1.00 0.00 C ATOM 1069 O TYR A 125 24.684 -4.940 10.644 1.00 0.00 O ATOM 1070 CB TYR A 125 24.187 -6.827 8.532 1.00 0.00 C ATOM 1071 CG TYR A 125 24.506 -6.241 7.168 1.00 0.00 C ATOM 1072 CD1 TYR A 125 25.104 -4.969 7.064 1.00 0.00 C ATOM 1073 CD2 TYR A 125 23.988 -6.865 6.018 1.00 0.00 C ATOM 1074 CE1 TYR A 125 25.153 -4.316 5.819 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.011 -6.196 4.785 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.607 -4.931 4.685 1.00 0.00 C ATOM 1077 OH TYR A 125 24.614 -4.311 3.482 1.00 0.00 O ATOM 0 H TYR A 125 22.323 -5.797 7.351 1.00 0.00 H new ATOM 0 HA TYR A 125 22.624 -6.744 10.046 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.089 -6.807 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.908 -7.874 8.409 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.524 -4.496 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.572 -7.860 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.611 -3.341 5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.570 -6.655 3.913 1.00 0.00 H new ATOM 0 HH TYR A 125 25.291 -3.602 3.483 1.00 0.00 H new ATOM 1087 N ARG A 126 22.761 -3.854 10.308 1.00 0.00 N ATOM 1088 CA ARG A 126 23.054 -2.650 11.098 1.00 0.00 C ATOM 1089 C ARG A 126 24.195 -1.777 10.528 1.00 0.00 C ATOM 1090 O ARG A 126 23.970 -0.626 10.173 1.00 0.00 O ATOM 1091 CB ARG A 126 23.288 -2.980 12.583 1.00 0.00 C ATOM 1092 CG ARG A 126 22.229 -3.868 13.260 1.00 0.00 C ATOM 1093 CD ARG A 126 20.821 -3.256 13.313 1.00 0.00 C ATOM 1094 NE ARG A 126 20.022 -3.666 12.140 1.00 0.00 N ATOM 1095 CZ ARG A 126 18.690 -3.728 12.045 1.00 0.00 C ATOM 1096 NH1 ARG A 126 17.878 -3.189 12.933 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.141 -4.375 11.041 1.00 0.00 N ATOM 0 H ARG A 126 21.833 -3.821 9.886 1.00 0.00 H new ATOM 0 HA ARG A 126 22.154 -2.039 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.256 -3.472 12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 126 23.352 -2.043 13.136 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.178 -4.819 12.729 1.00 0.00 H new ATOM 0 HG3 ARG A 126 22.554 -4.088 14.277 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.318 -3.570 14.228 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.894 -2.169 13.346 1.00 0.00 H new ATOM 0 HE ARG A 126 20.547 -3.932 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.260 -2.696 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.868 -3.265 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.731 -4.825 10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.125 -4.427 10.962 1.00 0.00 H new ATOM 1284 N LEU B 68 16.470 13.479 2.125 1.00 0.00 N ATOM 1285 CA LEU B 68 17.645 12.588 2.141 1.00 0.00 C ATOM 1286 C LEU B 68 18.997 13.332 2.094 1.00 0.00 C ATOM 1287 O LEU B 68 19.455 13.779 1.037 1.00 0.00 O ATOM 1288 CB LEU B 68 17.499 11.477 1.084 1.00 0.00 C ATOM 1289 CG LEU B 68 16.316 10.526 1.339 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.224 9.558 0.155 1.00 0.00 C ATOM 1291 CD2 LEU B 68 16.467 9.758 2.658 1.00 0.00 C ATOM 0 HA LEU B 68 17.666 12.099 3.115 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.379 11.936 0.103 1.00 0.00 H new ATOM 0 HB3 LEU B 68 18.420 10.895 1.053 1.00 0.00 H new ATOM 0 HG LEU B 68 15.400 11.110 1.428 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.392 8.871 0.310 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.063 10.122 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU B 68 17.152 8.992 0.075 1.00 0.00 H new ATOM 0 HD21 LEU B 68 15.609 9.100 2.796 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.380 9.164 2.630 1.00 0.00 H new ATOM 0 HD23 LEU B 68 16.519 10.464 3.486 1.00 0.00 H new ATOM 1303 N SER B 69 19.642 13.455 3.258 1.00 0.00 N ATOM 1304 CA SER B 69 20.995 13.987 3.459 1.00 0.00 C ATOM 1305 C SER B 69 21.923 12.975 4.170 1.00 0.00 C ATOM 1306 O SER B 69 21.597 11.800 4.248 1.00 0.00 O ATOM 1307 CB SER B 69 20.863 15.313 4.203 1.00 0.00 C ATOM 1308 OG SER B 69 20.043 16.155 3.411 1.00 0.00 O ATOM 0 H SER B 69 19.209 13.170 4.137 1.00 0.00 H new ATOM 0 HA SER B 69 21.479 14.163 2.498 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.421 15.160 5.187 1.00 0.00 H new ATOM 0 HB3 SER B 69 21.842 15.766 4.360 1.00 0.00 H new ATOM 0 HG SER B 69 19.933 17.020 3.859 1.00 0.00 H new ATOM 1314 N ALA B 70 23.108 13.396 4.634 1.00 0.00 N ATOM 1315 CA ALA B 70 24.259 12.518 4.890 1.00 0.00 C ATOM 1316 C ALA B 70 23.954 11.141 5.519 1.00 0.00 C ATOM 1317 O ALA B 70 24.040 10.112 4.849 1.00 0.00 O ATOM 1318 CB ALA B 70 25.293 13.298 5.711 1.00 0.00 C ATOM 0 H ALA B 70 23.297 14.376 4.846 1.00 0.00 H new ATOM 0 HA ALA B 70 24.650 12.245 3.910 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.155 12.661 5.910 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.613 14.177 5.152 1.00 0.00 H new ATOM 0 HB3 ALA B 70 24.847 13.611 6.655 1.00 0.00 H new ATOM 1324 N CYS B 71 23.629 11.111 6.810 1.00 0.00 N ATOM 1325 CA CYS B 71 23.449 9.858 7.543 1.00 0.00 C ATOM 1326 C CYS B 71 22.260 9.028 7.022 1.00 0.00 C ATOM 1327 O CYS B 71 22.393 7.825 6.830 1.00 0.00 O ATOM 1328 CB CYS B 71 23.385 10.139 9.045 1.00 0.00 C ATOM 1329 SG CYS B 71 21.826 10.860 9.582 1.00 0.00 S ATOM 0 H CYS B 71 23.484 11.948 7.375 1.00 0.00 H new ATOM 0 HA CYS B 71 24.319 9.226 7.363 1.00 0.00 H new ATOM 0 HB2 CYS B 71 23.550 9.208 9.587 1.00 0.00 H new ATOM 0 HB3 CYS B 71 24.198 10.813 9.314 1.00 0.00 H new ATOM 0 HG CYS B 71 21.300 11.535 8.603 1.00 0.00 H new ATOM 1335 N GLU B 72 21.110 9.646 6.744 1.00 0.00 N ATOM 1336 CA GLU B 72 19.950 8.938 6.213 1.00 0.00 C ATOM 1337 C GLU B 72 20.193 8.380 4.794 1.00 0.00 C ATOM 1338 O GLU B 72 19.757 7.280 4.468 1.00 0.00 O ATOM 1339 CB GLU B 72 18.683 9.802 6.369 1.00 0.00 C ATOM 1340 CG GLU B 72 18.647 11.121 5.568 1.00 0.00 C ATOM 1341 CD GLU B 72 19.255 12.339 6.240 1.00 0.00 C ATOM 1342 OE1 GLU B 72 20.249 12.223 6.981 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.740 13.447 5.982 1.00 0.00 O ATOM 0 H GLU B 72 20.960 10.646 6.881 1.00 0.00 H new ATOM 0 HA GLU B 72 19.779 8.041 6.808 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.822 9.201 6.076 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.561 10.041 7.425 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.164 10.960 4.622 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.608 11.347 5.329 1.00 0.00 H new ATOM 1350 N VAL B 73 20.945 9.100 3.960 1.00 0.00 N ATOM 1351 CA VAL B 73 21.389 8.626 2.646 1.00 0.00 C ATOM 1352 C VAL B 73 22.339 7.429 2.787 1.00 0.00 C ATOM 1353 O VAL B 73 22.133 6.399 2.157 1.00 0.00 O ATOM 1354 CB VAL B 73 22.038 9.779 1.861 1.00 0.00 C ATOM 1355 CG1 VAL B 73 22.641 9.296 0.545 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.006 10.833 1.470 1.00 0.00 C ATOM 0 H VAL B 73 21.268 10.042 4.180 1.00 0.00 H new ATOM 0 HA VAL B 73 20.521 8.282 2.084 1.00 0.00 H new ATOM 0 HB VAL B 73 22.802 10.187 2.522 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.090 10.139 0.019 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.406 8.547 0.749 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.859 8.857 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.496 11.634 0.917 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.239 10.377 0.845 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.545 11.242 2.369 1.00 0.00 H new ATOM 1366 N ALA B 74 23.360 7.544 3.640 1.00 0.00 N ATOM 1367 CA ALA B 74 24.278 6.435 3.908 1.00 0.00 C ATOM 1368 C ALA B 74 23.520 5.202 4.425 1.00 0.00 C ATOM 1369 O ALA B 74 23.750 4.070 4.015 1.00 0.00 O ATOM 1370 CB ALA B 74 25.341 6.898 4.910 1.00 0.00 C ATOM 0 H ALA B 74 23.572 8.397 4.158 1.00 0.00 H new ATOM 0 HA ALA B 74 24.768 6.139 2.980 1.00 0.00 H new ATOM 0 HB1 ALA B 74 26.029 6.078 5.115 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.894 7.739 4.492 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.857 7.207 5.837 1.00 0.00 H new ATOM 1376 N VAL B 75 22.556 5.428 5.313 1.00 0.00 N ATOM 1377 CA VAL B 75 21.688 4.366 5.807 1.00 0.00 C ATOM 1378 C VAL B 75 20.813 3.773 4.686 1.00 0.00 C ATOM 1379 O VAL B 75 20.547 2.571 4.680 1.00 0.00 O ATOM 1380 CB VAL B 75 20.921 4.872 7.038 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.731 3.987 7.392 1.00 0.00 C ATOM 1382 CG2 VAL B 75 21.908 4.901 8.204 1.00 0.00 C ATOM 0 H VAL B 75 22.356 6.347 5.708 1.00 0.00 H new ATOM 0 HA VAL B 75 22.284 3.517 6.142 1.00 0.00 H new ATOM 0 HB VAL B 75 20.516 5.861 6.823 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.225 4.391 8.269 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.036 3.959 6.553 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.080 2.977 7.607 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.401 5.256 9.101 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.294 3.897 8.379 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.734 5.571 7.965 1.00 0.00 H new ATOM 1392 N LEU B 76 20.405 4.582 3.705 1.00 0.00 N ATOM 1393 CA LEU B 76 19.780 4.077 2.475 1.00 0.00 C ATOM 1394 C LEU B 76 20.670 3.134 1.649 1.00 0.00 C ATOM 1395 O LEU B 76 20.169 2.231 0.987 1.00 0.00 O ATOM 1396 CB LEU B 76 19.182 5.208 1.628 1.00 0.00 C ATOM 1397 CG LEU B 76 17.653 5.213 1.757 1.00 0.00 C ATOM 1398 CD1 LEU B 76 17.101 6.525 1.207 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.997 4.056 0.988 1.00 0.00 C ATOM 0 H LEU B 76 20.496 5.597 3.738 1.00 0.00 H new ATOM 0 HA LEU B 76 18.955 3.450 2.813 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.585 6.167 1.952 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.466 5.080 0.584 1.00 0.00 H new ATOM 0 HG LEU B 76 17.420 5.097 2.816 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.015 6.529 1.298 1.00 0.00 H new ATOM 0 HD12 LEU B 76 17.516 7.360 1.772 1.00 0.00 H new ATOM 0 HD13 LEU B 76 17.377 6.624 0.157 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.915 4.104 1.111 1.00 0.00 H new ATOM 0 HD22 LEU B 76 17.246 4.135 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.364 3.106 1.377 1.00 0.00 H new ATOM 1411 N ASP B 77 21.984 3.304 1.718 1.00 0.00 N ATOM 1412 CA ASP B 77 22.930 2.378 1.099 1.00 0.00 C ATOM 1413 C ASP B 77 23.082 1.113 1.967 1.00 0.00 C ATOM 1414 O ASP B 77 22.934 0.004 1.470 1.00 0.00 O ATOM 1415 CB ASP B 77 24.251 3.111 0.833 1.00 0.00 C ATOM 1416 CG ASP B 77 25.274 2.193 0.195 1.00 0.00 C ATOM 1417 OD1 ASP B 77 24.931 1.576 -0.831 1.00 0.00 O ATOM 1418 OD2 ASP B 77 26.375 2.077 0.770 1.00 0.00 O ATOM 0 H ASP B 77 22.426 4.085 2.203 1.00 0.00 H new ATOM 0 HA ASP B 77 22.559 2.033 0.134 1.00 0.00 H new ATOM 0 HB2 ASP B 77 24.070 3.965 0.181 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.646 3.503 1.770 1.00 0.00 H new ATOM 1423 N LEU B 78 23.235 1.221 3.295 1.00 0.00 N ATOM 1424 CA LEU B 78 23.146 0.054 4.170 1.00 0.00 C ATOM 1425 C LEU B 78 21.863 -0.750 3.890 1.00 0.00 C ATOM 1426 O LEU B 78 21.890 -1.979 3.822 1.00 0.00 O ATOM 1427 CB LEU B 78 23.247 0.484 5.640 1.00 0.00 C ATOM 1428 CG LEU B 78 24.513 1.272 6.001 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.569 1.487 7.515 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.798 0.573 5.544 1.00 0.00 C ATOM 0 H LEU B 78 23.419 2.100 3.779 1.00 0.00 H new ATOM 0 HA LEU B 78 23.986 -0.608 3.959 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.377 1.092 5.885 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.201 -0.406 6.267 1.00 0.00 H new ATOM 0 HG LEU B 78 24.456 2.226 5.477 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.469 2.047 7.770 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.690 2.047 7.836 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.588 0.521 8.019 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.661 1.176 5.826 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.869 -0.406 6.019 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.780 0.450 4.461 1.00 0.00 H new ATOM 1442 N TYR B 79 20.731 -0.075 3.673 1.00 0.00 N ATOM 1443 CA TYR B 79 19.548 -0.715 3.121 1.00 0.00 C ATOM 1444 C TYR B 79 19.778 -1.364 1.750 1.00 0.00 C ATOM 1445 O TYR B 79 19.507 -2.555 1.610 1.00 0.00 O ATOM 1446 CB TYR B 79 18.382 0.273 3.054 1.00 0.00 C ATOM 1447 CG TYR B 79 17.754 0.657 4.369 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.478 -0.310 5.351 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.390 1.992 4.606 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.118 0.109 6.639 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.123 2.408 5.914 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.195 1.469 6.943 1.00 0.00 C ATOM 1453 OH TYR B 79 17.209 1.840 8.242 1.00 0.00 O ATOM 0 H TYR B 79 20.615 0.918 3.874 1.00 0.00 H new ATOM 0 HA TYR B 79 19.301 -1.527 3.804 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.732 1.182 2.564 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.608 -0.155 2.417 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.543 -1.362 5.116 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.317 2.691 3.786 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.788 -0.605 7.380 1.00 0.00 H new ATOM 0 HE2 TYR B 79 16.866 3.436 6.123 1.00 0.00 H new ATOM 0 HH TYR B 79 17.627 1.135 8.779 1.00 0.00 H new ATOM 1463 N GLU B 80 20.211 -0.632 0.730 1.00 0.00 N ATOM 1464 CA GLU B 80 20.157 -1.116 -0.646 1.00 0.00 C ATOM 1465 C GLU B 80 21.289 -2.112 -0.995 1.00 0.00 C ATOM 1466 O GLU B 80 21.050 -3.133 -1.638 1.00 0.00 O ATOM 1467 CB GLU B 80 20.004 0.093 -1.573 1.00 0.00 C ATOM 1468 CG GLU B 80 19.478 -0.323 -2.954 1.00 0.00 C ATOM 1469 CD GLU B 80 18.116 -1.033 -2.946 1.00 0.00 C ATOM 1470 OE1 GLU B 80 17.095 -0.349 -2.716 1.00 0.00 O ATOM 1471 OE2 GLU B 80 18.101 -2.269 -3.147 1.00 0.00 O ATOM 0 H GLU B 80 20.605 0.303 0.830 1.00 0.00 H new ATOM 0 HA GLU B 80 19.278 -1.744 -0.793 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.321 0.814 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU B 80 20.966 0.592 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU B 80 19.403 0.566 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU B 80 20.211 -0.981 -3.421 1.00 0.00 H new ATOM 1478 N GLN B 81 22.479 -1.955 -0.407 1.00 0.00 N ATOM 1479 CA GLN B 81 23.438 -3.059 -0.207 1.00 0.00 C ATOM 1480 C GLN B 81 22.723 -4.327 0.303 1.00 0.00 C ATOM 1481 O GLN B 81 22.912 -5.445 -0.176 1.00 0.00 O ATOM 1482 CB GLN B 81 24.455 -2.700 0.886 1.00 0.00 C ATOM 1483 CG GLN B 81 25.480 -1.590 0.634 1.00 0.00 C ATOM 1484 CD GLN B 81 26.287 -1.341 1.911 1.00 0.00 C ATOM 1485 OE1 GLN B 81 26.295 -2.159 2.831 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.978 -0.228 2.022 1.00 0.00 N ATOM 0 H GLN B 81 22.810 -1.058 -0.053 1.00 0.00 H new ATOM 0 HA GLN B 81 23.917 -3.229 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.891 -2.426 1.778 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.010 -3.607 1.125 1.00 0.00 H new ATOM 0 HG2 GLN B 81 26.146 -1.874 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.973 -0.675 0.327 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.974 0.453 1.262 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.518 -0.045 2.868 1.00 0.00 H new ATOM 1495 N SER B 82 21.876 -4.144 1.318 1.00 0.00 N ATOM 1496 CA SER B 82 21.071 -5.189 1.935 1.00 0.00 C ATOM 1497 C SER B 82 19.796 -5.534 1.119 1.00 0.00 C ATOM 1498 O SER B 82 18.994 -6.369 1.552 1.00 0.00 O ATOM 1499 CB SER B 82 20.782 -4.770 3.380 1.00 0.00 C ATOM 1500 OG SER B 82 20.373 -5.876 4.155 1.00 0.00 O ATOM 0 H SER B 82 21.730 -3.229 1.745 1.00 0.00 H new ATOM 0 HA SER B 82 21.628 -6.126 1.942 1.00 0.00 H new ATOM 0 HB2 SER B 82 21.675 -4.324 3.819 1.00 0.00 H new ATOM 0 HB3 SER B 82 20.005 -4.006 3.392 1.00 0.00 H new ATOM 0 HG SER B 82 19.491 -5.696 4.543 1.00 0.00 H new ATOM 1506 N ASN B 83 19.615 -4.910 -0.048 1.00 0.00 N ATOM 1507 CA ASN B 83 18.405 -4.797 -0.864 1.00 0.00 C ATOM 1508 C ASN B 83 17.114 -4.526 -0.079 1.00 0.00 C ATOM 1509 O ASN B 83 16.151 -5.286 -0.169 1.00 0.00 O ATOM 1510 CB ASN B 83 18.283 -5.949 -1.871 1.00 0.00 C ATOM 1511 CG ASN B 83 17.047 -5.792 -2.760 1.00 0.00 C ATOM 1512 OD1 ASN B 83 16.145 -6.628 -2.748 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.916 -4.697 -3.482 1.00 0.00 N ATOM 0 H ASN B 83 20.394 -4.421 -0.489 1.00 0.00 H new ATOM 0 HA ASN B 83 18.537 -3.883 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN B 83 19.177 -5.985 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.229 -6.897 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN B 83 16.068 -4.545 -4.029 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.662 -4.002 -3.494 1.00 0.00 H new ATOM 1520 N ILE B 84 17.067 -3.437 0.680 1.00 0.00 N ATOM 1521 CA ILE B 84 15.857 -2.925 1.322 1.00 0.00 C ATOM 1522 C ILE B 84 15.359 -1.634 0.648 1.00 0.00 C ATOM 1523 O ILE B 84 15.938 -0.574 0.851 1.00 0.00 O ATOM 1524 CB ILE B 84 16.125 -2.734 2.826 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.013 -4.099 3.518 1.00 0.00 C ATOM 1526 CG2 ILE B 84 15.163 -1.717 3.462 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.709 -4.102 4.877 1.00 0.00 C ATOM 0 H ILE B 84 17.892 -2.868 0.872 1.00 0.00 H new ATOM 0 HA ILE B 84 15.053 -3.652 1.203 1.00 0.00 H new ATOM 0 HB ILE B 84 17.129 -2.329 2.955 1.00 0.00 H new ATOM 0 HG12 ILE B 84 14.962 -4.356 3.647 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.453 -4.867 2.882 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.390 -1.616 4.523 1.00 0.00 H new ATOM 0 HG22 ILE B 84 15.279 -0.750 2.972 1.00 0.00 H new ATOM 0 HG23 ILE B 84 14.136 -2.063 3.342 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.608 -5.086 5.336 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.766 -3.870 4.745 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.251 -3.352 5.522 1.00 0.00 H new ATOM 1539 N ARG B 85 14.202 -1.673 -0.018 1.00 0.00 N ATOM 1540 CA ARG B 85 13.542 -0.429 -0.409 1.00 0.00 C ATOM 1541 C ARG B 85 12.648 0.066 0.734 1.00 0.00 C ATOM 1542 O ARG B 85 11.682 -0.588 1.110 1.00 0.00 O ATOM 1543 CB ARG B 85 12.765 -0.579 -1.725 1.00 0.00 C ATOM 1544 CG ARG B 85 12.477 0.839 -2.247 1.00 0.00 C ATOM 1545 CD ARG B 85 11.763 0.865 -3.602 1.00 0.00 C ATOM 1546 NE ARG B 85 10.303 0.655 -3.509 1.00 0.00 N ATOM 1547 CZ ARG B 85 9.397 1.578 -3.175 1.00 0.00 C ATOM 1548 NH1 ARG B 85 9.701 2.632 -2.445 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.148 1.477 -3.587 1.00 0.00 N ATOM 0 H ARG B 85 13.716 -2.527 -0.291 1.00 0.00 H new ATOM 0 HA ARG B 85 14.308 0.323 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG B 85 13.346 -1.146 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.836 -1.126 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG B 85 11.867 1.369 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG B 85 13.418 1.383 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG B 85 11.953 1.824 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG B 85 12.192 0.095 -4.243 1.00 0.00 H new ATOM 0 HE ARG B 85 9.955 -0.281 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG B 85 10.657 2.765 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG B 85 8.981 3.315 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG B 85 7.865 0.688 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.466 2.188 -3.325 1.00 0.00 H new ATOM 1563 N ILE B 86 12.955 1.217 1.323 1.00 0.00 N ATOM 1564 CA ILE B 86 12.118 1.882 2.326 1.00 0.00 C ATOM 1565 C ILE B 86 10.812 2.436 1.698 1.00 0.00 C ATOM 1566 O ILE B 86 10.872 3.036 0.623 1.00 0.00 O ATOM 1567 CB ILE B 86 12.997 2.942 3.013 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.205 2.315 3.750 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.190 3.793 3.985 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.864 1.271 4.829 1.00 0.00 C ATOM 0 H ILE B 86 13.812 1.729 1.114 1.00 0.00 H new ATOM 0 HA ILE B 86 11.764 1.183 3.084 1.00 0.00 H new ATOM 0 HB ILE B 86 13.379 3.580 2.216 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.854 1.846 3.010 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.778 3.117 4.215 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.843 4.531 4.452 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.392 4.304 3.446 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.756 3.154 4.754 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.784 0.899 5.279 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.244 1.732 5.598 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.321 0.442 4.375 1.00 0.00 H new ATOM 1582 N PRO B 87 9.625 2.206 2.308 1.00 0.00 N ATOM 1583 CA PRO B 87 8.398 2.858 1.872 1.00 0.00 C ATOM 1584 C PRO B 87 8.458 4.348 2.235 1.00 0.00 C ATOM 1585 O PRO B 87 8.894 4.712 3.325 1.00 0.00 O ATOM 1586 CB PRO B 87 7.252 2.117 2.570 1.00 0.00 C ATOM 1587 CG PRO B 87 7.883 1.507 3.823 1.00 0.00 C ATOM 1588 CD PRO B 87 9.354 1.327 3.440 1.00 0.00 C ATOM 0 HA PRO B 87 8.252 2.815 0.793 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.440 2.798 2.828 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.829 1.346 1.925 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.772 2.163 4.687 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.418 0.556 4.083 1.00 0.00 H new ATOM 0 HD2 PRO B 87 10.002 1.575 4.281 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.557 0.289 3.176 1.00 0.00 H new ATOM 1596 N SER B 88 8.057 5.208 1.306 1.00 0.00 N ATOM 1597 CA SER B 88 8.176 6.666 1.357 1.00 0.00 C ATOM 1598 C SER B 88 7.674 7.302 2.662 1.00 0.00 C ATOM 1599 O SER B 88 8.304 8.229 3.159 1.00 0.00 O ATOM 1600 CB SER B 88 7.449 7.251 0.147 1.00 0.00 C ATOM 1601 OG SER B 88 6.125 6.750 0.079 1.00 0.00 O ATOM 0 H SER B 88 7.613 4.890 0.444 1.00 0.00 H new ATOM 0 HA SER B 88 9.239 6.906 1.330 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.430 8.339 0.216 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.988 6.999 -0.766 1.00 0.00 H new ATOM 0 HG SER B 88 6.146 5.801 -0.166 1.00 0.00 H new ATOM 1607 N ASP B 89 6.579 6.800 3.233 1.00 0.00 N ATOM 1608 CA ASP B 89 6.072 7.199 4.548 1.00 0.00 C ATOM 1609 C ASP B 89 7.183 7.313 5.620 1.00 0.00 C ATOM 1610 O ASP B 89 7.360 8.356 6.248 1.00 0.00 O ATOM 1611 CB ASP B 89 4.989 6.185 4.922 1.00 0.00 C ATOM 1612 CG ASP B 89 4.547 6.362 6.355 1.00 0.00 C ATOM 1613 OD1 ASP B 89 5.193 5.752 7.228 1.00 0.00 O ATOM 1614 OD2 ASP B 89 3.494 6.984 6.586 1.00 0.00 O ATOM 0 H ASP B 89 6.005 6.087 2.783 1.00 0.00 H new ATOM 0 HA ASP B 89 5.656 8.206 4.502 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.133 6.302 4.258 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.369 5.174 4.778 1.00 0.00 H new ATOM 1619 N ILE B 90 8.005 6.264 5.762 1.00 0.00 N ATOM 1620 CA ILE B 90 9.196 6.308 6.618 1.00 0.00 C ATOM 1621 C ILE B 90 10.018 7.564 6.326 1.00 0.00 C ATOM 1622 O ILE B 90 10.421 8.298 7.220 1.00 0.00 O ATOM 1623 CB ILE B 90 10.101 5.091 6.343 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.485 3.725 6.661 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.467 5.238 7.028 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.306 3.495 8.154 1.00 0.00 C ATOM 0 H ILE B 90 7.864 5.370 5.291 1.00 0.00 H new ATOM 0 HA ILE B 90 8.856 6.306 7.654 1.00 0.00 H new ATOM 0 HB ILE B 90 10.230 5.099 5.261 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.517 3.643 6.166 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.120 2.940 6.250 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.078 4.362 6.812 1.00 0.00 H new ATOM 0 HG22 ILE B 90 11.968 6.131 6.654 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.326 5.326 8.105 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.866 2.512 8.320 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.276 3.547 8.649 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.648 4.261 8.564 1.00 0.00 H new ATOM 1638 N ILE B 91 10.332 7.766 5.048 1.00 0.00 N ATOM 1639 CA ILE B 91 11.249 8.810 4.621 1.00 0.00 C ATOM 1640 C ILE B 91 10.662 10.194 4.907 1.00 0.00 C ATOM 1641 O ILE B 91 11.387 11.053 5.396 1.00 0.00 O ATOM 1642 CB ILE B 91 11.604 8.626 3.129 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.161 7.212 2.882 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.599 9.697 2.670 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.537 6.936 1.423 1.00 0.00 C ATOM 0 H ILE B 91 9.955 7.208 4.282 1.00 0.00 H new ATOM 0 HA ILE B 91 12.174 8.731 5.193 1.00 0.00 H new ATOM 0 HB ILE B 91 10.694 8.743 2.540 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.042 7.065 3.507 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.419 6.480 3.200 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.834 9.547 1.616 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.159 10.685 2.807 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.512 9.622 3.260 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.921 5.920 1.332 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.655 7.048 0.792 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.303 7.643 1.105 1.00 0.00 H new ATOM 1657 N GLU B 92 9.370 10.406 4.641 1.00 0.00 N ATOM 1658 CA GLU B 92 8.655 11.607 5.072 1.00 0.00 C ATOM 1659 C GLU B 92 8.918 11.897 6.559 1.00 0.00 C ATOM 1660 O GLU B 92 9.653 12.821 6.909 1.00 0.00 O ATOM 1661 CB GLU B 92 7.157 11.420 4.755 1.00 0.00 C ATOM 1662 CG GLU B 92 6.272 12.596 5.213 1.00 0.00 C ATOM 1663 CD GLU B 92 6.552 13.885 4.473 1.00 0.00 C ATOM 1664 OE1 GLU B 92 5.974 14.049 3.378 1.00 0.00 O ATOM 1665 OE2 GLU B 92 7.411 14.655 4.943 1.00 0.00 O ATOM 0 H GLU B 92 8.791 9.748 4.120 1.00 0.00 H new ATOM 0 HA GLU B 92 9.016 12.481 4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.037 11.284 3.680 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.806 10.506 5.233 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.225 12.327 5.075 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.422 12.759 6.280 1.00 0.00 H new ATOM 1672 N ASP B 93 8.375 11.062 7.446 1.00 0.00 N ATOM 1673 CA ASP B 93 8.442 11.265 8.884 1.00 0.00 C ATOM 1674 C ASP B 93 9.898 11.472 9.328 1.00 0.00 C ATOM 1675 O ASP B 93 10.270 12.472 9.938 1.00 0.00 O ATOM 1676 CB ASP B 93 7.794 10.029 9.531 1.00 0.00 C ATOM 1677 CG ASP B 93 8.172 9.879 10.987 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.012 10.870 11.723 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.684 8.797 11.350 1.00 0.00 O ATOM 0 H ASP B 93 7.871 10.217 7.177 1.00 0.00 H new ATOM 0 HA ASP B 93 7.908 12.163 9.195 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.710 10.103 9.445 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.097 9.135 8.985 1.00 0.00 H new ATOM 1684 N LEU B 94 10.763 10.550 8.921 1.00 0.00 N ATOM 1685 CA LEU B 94 12.177 10.591 9.277 1.00 0.00 C ATOM 1686 C LEU B 94 12.876 11.881 8.811 1.00 0.00 C ATOM 1687 O LEU B 94 13.633 12.495 9.561 1.00 0.00 O ATOM 1688 CB LEU B 94 12.859 9.331 8.736 1.00 0.00 C ATOM 1689 CG LEU B 94 14.208 8.981 9.387 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.358 9.470 8.524 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.426 9.467 10.821 1.00 0.00 C ATOM 0 H LEU B 94 10.505 9.755 8.336 1.00 0.00 H new ATOM 0 HA LEU B 94 12.261 10.607 10.364 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.182 8.487 8.867 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.013 9.453 7.664 1.00 0.00 H new ATOM 0 HG LEU B 94 14.179 7.893 9.455 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.305 9.214 9.000 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.305 8.996 7.544 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.291 10.552 8.408 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.413 9.157 11.164 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.357 10.554 10.851 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.664 9.037 11.471 1.00 0.00 H new ATOM 1703 N VAL B 95 12.616 12.323 7.581 1.00 0.00 N ATOM 1704 CA VAL B 95 13.067 13.627 7.089 1.00 0.00 C ATOM 1705 C VAL B 95 12.553 14.799 7.951 1.00 0.00 C ATOM 1706 O VAL B 95 13.313 15.751 8.163 1.00 0.00 O ATOM 1707 CB VAL B 95 12.782 13.788 5.581 1.00 0.00 C ATOM 1708 CG1 VAL B 95 12.983 15.221 5.065 1.00 0.00 C ATOM 1709 CG2 VAL B 95 13.731 12.883 4.776 1.00 0.00 C ATOM 0 H VAL B 95 12.085 11.786 6.895 1.00 0.00 H new ATOM 0 HA VAL B 95 14.151 13.661 7.198 1.00 0.00 H new ATOM 0 HB VAL B 95 11.734 13.518 5.448 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.765 15.257 3.998 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.312 15.896 5.596 1.00 0.00 H new ATOM 0 HG13 VAL B 95 14.015 15.527 5.235 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.528 12.998 3.711 1.00 0.00 H new ATOM 0 HG22 VAL B 95 14.764 13.165 4.981 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.575 11.844 5.065 1.00 0.00 H new ATOM 1719 N ASN B 96 11.332 14.729 8.490 1.00 0.00 N ATOM 1720 CA ASN B 96 10.856 15.690 9.491 1.00 0.00 C ATOM 1721 C ASN B 96 11.632 15.586 10.823 1.00 0.00 C ATOM 1722 O ASN B 96 12.306 16.535 11.218 1.00 0.00 O ATOM 1723 CB ASN B 96 9.339 15.575 9.729 1.00 0.00 C ATOM 1724 CG ASN B 96 8.506 15.901 8.497 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.161 17.052 8.258 1.00 0.00 O ATOM 1726 ND2 ASN B 96 8.156 14.890 7.724 1.00 0.00 N ATOM 0 H ASN B 96 10.650 14.010 8.247 1.00 0.00 H new ATOM 0 HA ASN B 96 11.053 16.679 9.076 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.106 14.562 10.058 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.054 16.247 10.539 1.00 0.00 H new ATOM 0 HD21 ASN B 96 7.581 15.055 6.898 1.00 0.00 H new ATOM 0 HD22 ASN B 96 8.461 13.944 7.953 1.00 0.00 H new ATOM 1733 N GLN B 97 11.548 14.453 11.530 1.00 0.00 N ATOM 1734 CA GLN B 97 12.110 14.328 12.888 1.00 0.00 C ATOM 1735 C GLN B 97 13.647 14.428 12.912 1.00 0.00 C ATOM 1736 O GLN B 97 14.241 15.070 13.774 1.00 0.00 O ATOM 1737 CB GLN B 97 11.666 13.026 13.578 1.00 0.00 C ATOM 1738 CG GLN B 97 10.221 12.559 13.337 1.00 0.00 C ATOM 1739 CD GLN B 97 9.148 13.635 13.417 1.00 0.00 C ATOM 1740 OE1 GLN B 97 9.296 14.662 14.064 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.027 13.406 12.760 1.00 0.00 N ATOM 0 H GLN B 97 11.096 13.606 11.187 1.00 0.00 H new ATOM 0 HA GLN B 97 11.710 15.176 13.444 1.00 0.00 H new ATOM 0 HB2 GLN B 97 12.336 12.229 13.257 1.00 0.00 H new ATOM 0 HB3 GLN B 97 11.807 13.148 14.652 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.170 12.096 12.352 1.00 0.00 H new ATOM 0 HG3 GLN B 97 9.985 11.784 14.066 1.00 0.00 H new ATOM 0 HE21 GLN B 97 7.917 12.545 12.224 1.00 0.00 H new ATOM 0 HE22 GLN B 97 7.271 14.090 12.788 1.00 0.00 H new ATOM 1750 N ARG B 98 14.291 13.752 11.962 1.00 0.00 N ATOM 1751 CA ARG B 98 15.704 13.878 11.630 1.00 0.00 C ATOM 1752 C ARG B 98 16.699 13.620 12.777 1.00 0.00 C ATOM 1753 O ARG B 98 17.414 14.513 13.232 1.00 0.00 O ATOM 1754 CB ARG B 98 15.931 15.227 10.937 1.00 0.00 C ATOM 1755 CG ARG B 98 17.170 15.156 10.038 1.00 0.00 C ATOM 1756 CD ARG B 98 16.864 14.433 8.717 1.00 0.00 C ATOM 1757 NE ARG B 98 15.978 15.290 7.911 1.00 0.00 N ATOM 1758 CZ ARG B 98 16.379 16.108 6.944 1.00 0.00 C ATOM 1759 NH1 ARG B 98 17.388 15.781 6.167 1.00 0.00 N ATOM 1760 NH2 ARG B 98 15.779 17.270 6.783 1.00 0.00 N ATOM 0 H ARG B 98 13.815 13.067 11.375 1.00 0.00 H new ATOM 0 HA ARG B 98 15.934 13.059 10.948 1.00 0.00 H new ATOM 0 HB2 ARG B 98 15.056 15.491 10.343 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.058 16.011 11.683 1.00 0.00 H new ATOM 0 HG2 ARG B 98 17.527 16.164 9.828 1.00 0.00 H new ATOM 0 HG3 ARG B 98 17.972 14.636 10.562 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.787 14.227 8.175 1.00 0.00 H new ATOM 0 HD3 ARG B 98 16.387 13.472 8.912 1.00 0.00 H new ATOM 0 HE ARG B 98 14.978 15.253 8.111 1.00 0.00 H new ATOM 0 HH11 ARG B 98 17.870 14.893 6.304 1.00 0.00 H new ATOM 0 HH12 ARG B 98 17.689 16.416 5.427 1.00 0.00 H new ATOM 0 HH21 ARG B 98 15.011 17.537 7.399 1.00 0.00 H new ATOM 0 HH22 ARG B 98 16.082 17.902 6.042 1.00 0.00 H new ATOM 1774 N LEU B 99 16.843 12.352 13.167 1.00 0.00 N ATOM 1775 CA LEU B 99 17.799 11.943 14.196 1.00 0.00 C ATOM 1776 C LEU B 99 19.271 12.239 13.849 1.00 0.00 C ATOM 1777 O LEU B 99 19.624 12.672 12.750 1.00 0.00 O ATOM 1778 CB LEU B 99 17.567 10.479 14.582 1.00 0.00 C ATOM 1779 CG LEU B 99 16.096 10.150 14.891 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.060 8.762 15.522 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.453 11.140 15.872 1.00 0.00 C ATOM 0 H LEU B 99 16.300 11.581 12.778 1.00 0.00 H new ATOM 0 HA LEU B 99 17.605 12.567 15.068 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.911 9.839 13.770 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.175 10.241 15.455 1.00 0.00 H new ATOM 0 HG LEU B 99 15.534 10.206 13.959 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.029 8.495 15.755 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.475 8.034 14.824 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.650 8.763 16.438 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.416 10.855 16.050 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.000 11.125 16.815 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.485 12.144 15.449 1.00 0.00 H new ATOM 1793 N GLN B 100 20.160 12.043 14.821 1.00 0.00 N ATOM 1794 CA GLN B 100 21.515 12.573 14.788 1.00 0.00 C ATOM 1795 C GLN B 100 22.314 11.921 13.657 1.00 0.00 C ATOM 1796 O GLN B 100 22.697 12.585 12.694 1.00 0.00 O ATOM 1797 CB GLN B 100 22.132 12.334 16.176 1.00 0.00 C ATOM 1798 CG GLN B 100 23.617 12.728 16.273 1.00 0.00 C ATOM 1799 CD GLN B 100 24.275 12.216 17.549 1.00 0.00 C ATOM 1800 OE1 GLN B 100 24.875 12.969 18.300 1.00 0.00 O ATOM 1801 NE2 GLN B 100 24.201 10.924 17.819 1.00 0.00 N ATOM 0 H GLN B 100 19.954 11.505 15.662 1.00 0.00 H new ATOM 0 HA GLN B 100 21.524 13.642 14.577 1.00 0.00 H new ATOM 0 HB2 GLN B 100 21.567 12.900 16.917 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.028 11.280 16.433 1.00 0.00 H new ATOM 0 HG2 GLN B 100 24.151 12.333 15.409 1.00 0.00 H new ATOM 0 HG3 GLN B 100 23.705 13.814 16.233 1.00 0.00 H new ATOM 0 HE21 GLN B 100 23.699 10.299 17.188 1.00 0.00 H new ATOM 0 HE22 GLN B 100 24.646 10.552 18.658 1.00 0.00 H new ATOM 1810 N SER B 101 22.555 10.624 13.790 1.00 0.00 N ATOM 1811 CA SER B 101 23.518 9.874 12.969 1.00 0.00 C ATOM 1812 C SER B 101 22.986 8.502 12.519 1.00 0.00 C ATOM 1813 O SER B 101 21.875 8.104 12.871 1.00 0.00 O ATOM 1814 CB SER B 101 24.884 9.851 13.685 1.00 0.00 C ATOM 1815 OG SER B 101 25.476 8.568 13.783 1.00 0.00 O ATOM 0 H SER B 101 22.081 10.045 14.483 1.00 0.00 H new ATOM 0 HA SER B 101 23.667 10.390 12.020 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.569 10.513 13.155 1.00 0.00 H new ATOM 0 HB3 SER B 101 24.760 10.257 14.689 1.00 0.00 H new ATOM 0 HG SER B 101 26.186 8.483 13.112 1.00 0.00 H new ATOM 1821 N GLU B 102 23.752 7.832 11.664 1.00 0.00 N ATOM 1822 CA GLU B 102 23.411 6.614 10.928 1.00 0.00 C ATOM 1823 C GLU B 102 22.716 5.571 11.810 1.00 0.00 C ATOM 1824 O GLU B 102 21.613 5.127 11.523 1.00 0.00 O ATOM 1825 CB GLU B 102 24.651 6.007 10.238 1.00 0.00 C ATOM 1826 CG GLU B 102 25.697 7.027 9.763 1.00 0.00 C ATOM 1827 CD GLU B 102 26.559 7.484 10.928 1.00 0.00 C ATOM 1828 OE1 GLU B 102 27.151 6.607 11.589 1.00 0.00 O ATOM 1829 OE2 GLU B 102 26.396 8.668 11.295 1.00 0.00 O ATOM 0 H GLU B 102 24.698 8.148 11.450 1.00 0.00 H new ATOM 0 HA GLU B 102 22.699 6.909 10.157 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.130 5.314 10.930 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.320 5.422 9.380 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.324 6.581 8.991 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.199 7.885 9.312 1.00 0.00 H new ATOM 1836 N GLN B 103 23.344 5.205 12.923 1.00 0.00 N ATOM 1837 CA GLN B 103 22.788 4.232 13.858 1.00 0.00 C ATOM 1838 C GLN B 103 21.410 4.668 14.375 1.00 0.00 C ATOM 1839 O GLN B 103 20.493 3.857 14.510 1.00 0.00 O ATOM 1840 CB GLN B 103 23.802 3.985 14.981 1.00 0.00 C ATOM 1841 CG GLN B 103 23.349 2.901 15.977 1.00 0.00 C ATOM 1842 CD GLN B 103 22.253 3.307 16.952 1.00 0.00 C ATOM 1843 OE1 GLN B 103 21.333 2.551 17.228 1.00 0.00 O ATOM 1844 NE2 GLN B 103 22.322 4.492 17.524 1.00 0.00 N ATOM 0 H GLN B 103 24.253 5.574 13.202 1.00 0.00 H new ATOM 0 HA GLN B 103 22.615 3.286 13.345 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.756 3.691 14.543 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.972 4.917 15.520 1.00 0.00 H new ATOM 0 HG2 GLN B 103 23.002 2.037 15.410 1.00 0.00 H new ATOM 0 HG3 GLN B 103 24.217 2.578 16.551 1.00 0.00 H new ATOM 0 HE21 GLN B 103 23.089 5.125 17.295 1.00 0.00 H new ATOM 0 HE22 GLN B 103 21.609 4.777 18.195 1.00 0.00 H new ATOM 1853 N GLU B 104 21.251 5.958 14.650 1.00 0.00 N ATOM 1854 CA GLU B 104 19.993 6.479 15.154 1.00 0.00 C ATOM 1855 C GLU B 104 18.903 6.432 14.084 1.00 0.00 C ATOM 1856 O GLU B 104 17.819 5.892 14.316 1.00 0.00 O ATOM 1857 CB GLU B 104 20.184 7.868 15.762 1.00 0.00 C ATOM 1858 CG GLU B 104 21.132 7.778 16.969 1.00 0.00 C ATOM 1859 CD GLU B 104 22.601 7.900 16.616 1.00 0.00 C ATOM 1860 OE1 GLU B 104 23.034 9.011 16.235 1.00 0.00 O ATOM 1861 OE2 GLU B 104 23.343 6.904 16.760 1.00 0.00 O ATOM 0 H GLU B 104 21.981 6.660 14.531 1.00 0.00 H new ATOM 0 HA GLU B 104 19.647 5.833 15.961 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.593 8.549 15.016 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.222 8.275 16.072 1.00 0.00 H new ATOM 0 HG2 GLU B 104 20.874 8.564 17.679 1.00 0.00 H new ATOM 0 HG3 GLU B 104 20.969 6.826 17.474 1.00 0.00 H new ATOM 1868 N VAL B 105 19.184 6.957 12.888 1.00 0.00 N ATOM 1869 CA VAL B 105 18.186 6.885 11.828 1.00 0.00 C ATOM 1870 C VAL B 105 17.906 5.433 11.435 1.00 0.00 C ATOM 1871 O VAL B 105 16.754 5.093 11.219 1.00 0.00 O ATOM 1872 CB VAL B 105 18.488 7.784 10.618 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.534 9.266 11.013 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.787 7.419 9.911 1.00 0.00 C ATOM 0 H VAL B 105 20.059 7.418 12.639 1.00 0.00 H new ATOM 0 HA VAL B 105 17.268 7.299 12.245 1.00 0.00 H new ATOM 0 HB VAL B 105 17.666 7.615 9.923 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.750 9.871 10.132 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.571 9.562 11.429 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.314 9.420 11.759 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.943 8.090 9.066 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.620 7.514 10.608 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.730 6.391 9.552 1.00 0.00 H new ATOM 1884 N LEU B 106 18.899 4.538 11.403 1.00 0.00 N ATOM 1885 CA LEU B 106 18.618 3.150 11.049 1.00 0.00 C ATOM 1886 C LEU B 106 17.817 2.418 12.130 1.00 0.00 C ATOM 1887 O LEU B 106 16.915 1.649 11.791 1.00 0.00 O ATOM 1888 CB LEU B 106 19.865 2.402 10.548 1.00 0.00 C ATOM 1889 CG LEU B 106 20.782 1.820 11.626 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.370 0.414 12.080 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.196 1.716 11.049 1.00 0.00 C ATOM 0 H LEU B 106 19.876 4.744 11.612 1.00 0.00 H new ATOM 0 HA LEU B 106 17.952 3.169 10.186 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.539 1.589 9.900 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.450 3.085 9.933 1.00 0.00 H new ATOM 0 HG LEU B 106 20.721 2.484 12.489 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.062 0.061 12.845 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.361 0.445 12.490 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.394 -0.265 11.228 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.867 1.303 11.802 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.186 1.064 10.176 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.544 2.707 10.758 1.00 0.00 H new ATOM 1903 N ASN B 107 18.097 2.644 13.424 1.00 0.00 N ATOM 1904 CA ASN B 107 17.274 2.028 14.468 1.00 0.00 C ATOM 1905 C ASN B 107 15.825 2.550 14.415 1.00 0.00 C ATOM 1906 O ASN B 107 14.879 1.760 14.383 1.00 0.00 O ATOM 1907 CB ASN B 107 17.963 2.057 15.849 1.00 0.00 C ATOM 1908 CG ASN B 107 17.698 3.286 16.713 1.00 0.00 C ATOM 1909 OD1 ASN B 107 16.562 3.612 17.017 1.00 0.00 O ATOM 1910 ND2 ASN B 107 18.729 3.948 17.202 1.00 0.00 N ATOM 0 H ASN B 107 18.861 3.229 13.761 1.00 0.00 H new ATOM 0 HA ASN B 107 17.181 0.961 14.265 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.650 1.174 16.406 1.00 0.00 H new ATOM 0 HB3 ASN B 107 19.039 1.972 15.696 1.00 0.00 H new ATOM 0 HD21 ASN B 107 18.577 4.733 17.835 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.678 3.675 16.947 1.00 0.00 H new ATOM 1917 N TYR B 108 15.650 3.867 14.295 1.00 0.00 N ATOM 1918 CA TYR B 108 14.340 4.495 14.138 1.00 0.00 C ATOM 1919 C TYR B 108 13.599 3.982 12.899 1.00 0.00 C ATOM 1920 O TYR B 108 12.487 3.468 12.996 1.00 0.00 O ATOM 1921 CB TYR B 108 14.537 6.007 14.080 1.00 0.00 C ATOM 1922 CG TYR B 108 13.254 6.802 13.953 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.701 7.075 12.687 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.636 7.311 15.108 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.575 7.909 12.576 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.537 8.173 14.988 1.00 0.00 C ATOM 1927 CZ TYR B 108 11.020 8.487 13.725 1.00 0.00 C ATOM 1928 OH TYR B 108 9.927 9.284 13.668 1.00 0.00 O ATOM 0 H TYR B 108 16.422 4.533 14.304 1.00 0.00 H new ATOM 0 HA TYR B 108 13.714 4.234 14.991 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.061 6.327 14.981 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.182 6.245 13.234 1.00 0.00 H new ATOM 0 HD1 TYR B 108 13.142 6.643 11.801 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.007 7.039 16.085 1.00 0.00 H new ATOM 0 HE1 TYR B 108 11.139 8.104 11.607 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.087 8.597 15.874 1.00 0.00 H new ATOM 0 HH TYR B 108 9.285 8.914 13.027 1.00 0.00 H new ATOM 1938 N ILE B 109 14.223 4.086 11.727 1.00 0.00 N ATOM 1939 CA ILE B 109 13.684 3.587 10.468 1.00 0.00 C ATOM 1940 C ILE B 109 13.247 2.131 10.603 1.00 0.00 C ATOM 1941 O ILE B 109 12.108 1.808 10.284 1.00 0.00 O ATOM 1942 CB ILE B 109 14.699 3.729 9.320 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.816 5.194 8.879 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.291 2.857 8.127 1.00 0.00 C ATOM 1945 CD1 ILE B 109 15.993 5.396 7.921 1.00 0.00 C ATOM 0 H ILE B 109 15.136 4.529 11.627 1.00 0.00 H new ATOM 0 HA ILE B 109 12.813 4.196 10.226 1.00 0.00 H new ATOM 0 HB ILE B 109 15.670 3.393 9.685 1.00 0.00 H new ATOM 0 HG12 ILE B 109 13.891 5.504 8.392 1.00 0.00 H new ATOM 0 HG13 ILE B 109 14.944 5.830 9.755 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.021 2.972 7.326 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.252 1.812 8.436 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.309 3.166 7.769 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.048 6.444 7.628 1.00 0.00 H new ATOM 0 HD12 ILE B 109 16.920 5.109 8.418 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.851 4.778 7.034 1.00 0.00 H new ATOM 1957 N GLU B 110 14.124 1.225 11.051 1.00 0.00 N ATOM 1958 CA GLU B 110 13.738 -0.179 11.165 1.00 0.00 C ATOM 1959 C GLU B 110 12.603 -0.383 12.197 1.00 0.00 C ATOM 1960 O GLU B 110 11.725 -1.220 11.989 1.00 0.00 O ATOM 1961 CB GLU B 110 14.973 -1.091 11.307 1.00 0.00 C ATOM 1962 CG GLU B 110 14.899 -2.371 10.426 1.00 0.00 C ATOM 1963 CD GLU B 110 14.650 -3.669 11.173 1.00 0.00 C ATOM 1964 OE1 GLU B 110 15.623 -4.116 11.818 1.00 0.00 O ATOM 1965 OE2 GLU B 110 13.558 -4.255 11.009 1.00 0.00 O ATOM 0 H GLU B 110 15.082 1.434 11.333 1.00 0.00 H new ATOM 0 HA GLU B 110 13.282 -0.506 10.230 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.866 -0.526 11.040 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.082 -1.383 12.351 1.00 0.00 H new ATOM 0 HG2 GLU B 110 14.106 -2.238 9.690 1.00 0.00 H new ATOM 0 HG3 GLU B 110 15.834 -2.464 9.873 1.00 0.00 H new ATOM 1972 N THR B 111 12.540 0.437 13.253 1.00 0.00 N ATOM 1973 CA THR B 111 11.386 0.492 14.165 1.00 0.00 C ATOM 1974 C THR B 111 10.083 0.924 13.467 1.00 0.00 C ATOM 1975 O THR B 111 9.123 0.155 13.437 1.00 0.00 O ATOM 1976 CB THR B 111 11.692 1.350 15.402 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.825 0.821 16.054 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.545 1.313 16.415 1.00 0.00 C ATOM 0 H THR B 111 13.289 1.084 13.502 1.00 0.00 H new ATOM 0 HA THR B 111 11.211 -0.529 14.506 1.00 0.00 H new ATOM 0 HB THR B 111 11.847 2.374 15.061 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.633 1.064 15.555 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.799 1.932 17.275 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.636 1.695 15.950 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.382 0.286 16.742 1.00 0.00 H new ATOM 1986 N GLN B 112 10.023 2.106 12.844 1.00 0.00 N ATOM 1987 CA GLN B 112 8.847 2.553 12.087 1.00 0.00 C ATOM 1988 C GLN B 112 8.490 1.552 10.967 1.00 0.00 C ATOM 1989 O GLN B 112 7.334 1.257 10.675 1.00 0.00 O ATOM 1990 CB GLN B 112 9.134 3.952 11.517 1.00 0.00 C ATOM 1991 CG GLN B 112 9.305 5.065 12.562 1.00 0.00 C ATOM 1992 CD GLN B 112 7.971 5.528 13.122 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.316 4.804 13.862 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.525 6.714 12.761 1.00 0.00 N ATOM 0 H GLN B 112 10.788 2.780 12.850 1.00 0.00 H new ATOM 0 HA GLN B 112 7.983 2.602 12.750 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.040 3.901 10.913 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.319 4.227 10.847 1.00 0.00 H new ATOM 0 HG2 GLN B 112 9.935 4.705 13.376 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.822 5.911 12.109 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.084 7.303 12.144 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.620 7.043 13.098 1.00 0.00 H new ATOM 2003 N ARG B 113 9.501 0.947 10.352 1.00 0.00 N ATOM 2004 CA ARG B 113 9.340 -0.103 9.358 1.00 0.00 C ATOM 2005 C ARG B 113 8.792 -1.405 9.973 1.00 0.00 C ATOM 2006 O ARG B 113 8.079 -2.155 9.306 1.00 0.00 O ATOM 2007 CB ARG B 113 10.676 -0.283 8.641 1.00 0.00 C ATOM 2008 CG ARG B 113 10.571 -1.134 7.380 1.00 0.00 C ATOM 2009 CD ARG B 113 11.879 -1.026 6.600 1.00 0.00 C ATOM 2010 NE ARG B 113 12.055 -2.167 5.680 1.00 0.00 N ATOM 2011 CZ ARG B 113 11.946 -2.215 4.350 1.00 0.00 C ATOM 2012 NH1 ARG B 113 11.433 -1.205 3.696 1.00 0.00 N ATOM 2013 NH2 ARG B 113 12.350 -3.264 3.663 1.00 0.00 N ATOM 0 H ARG B 113 10.477 1.180 10.537 1.00 0.00 H new ATOM 0 HA ARG B 113 8.587 0.185 8.625 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.075 0.697 8.378 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.389 -0.744 9.325 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.373 -2.173 7.642 1.00 0.00 H new ATOM 0 HG3 ARG B 113 9.737 -0.796 6.765 1.00 0.00 H new ATOM 0 HD2 ARG B 113 11.890 -0.095 6.033 1.00 0.00 H new ATOM 0 HD3 ARG B 113 12.717 -0.986 7.296 1.00 0.00 H new ATOM 0 HE ARG B 113 12.296 -3.051 6.127 1.00 0.00 H new ATOM 0 HH11 ARG B 113 11.115 -0.378 4.202 1.00 0.00 H new ATOM 0 HH12 ARG B 113 11.351 -1.244 2.680 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.757 -4.064 4.147 1.00 0.00 H new ATOM 0 HH22 ARG B 113 12.256 -3.276 2.647 1.00 0.00 H new ATOM 2027 N THR B 114 9.104 -1.680 11.244 1.00 0.00 N ATOM 2028 CA THR B 114 8.487 -2.737 12.053 1.00 0.00 C ATOM 2029 C THR B 114 7.021 -2.443 12.381 1.00 0.00 C ATOM 2030 O THR B 114 6.179 -3.326 12.210 1.00 0.00 O ATOM 2031 CB THR B 114 9.312 -3.059 13.309 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.560 -3.575 12.894 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.659 -4.121 14.195 1.00 0.00 C ATOM 0 H THR B 114 9.815 -1.157 11.754 1.00 0.00 H new ATOM 0 HA THR B 114 8.487 -3.637 11.438 1.00 0.00 H new ATOM 0 HB THR B 114 9.399 -2.138 13.885 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.117 -2.846 12.549 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.288 -4.306 15.066 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.680 -3.770 14.522 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.542 -5.045 13.629 1.00 0.00 H new ATOM 2041 N TYR B 115 6.687 -1.208 12.761 1.00 0.00 N ATOM 2042 CA TYR B 115 5.295 -0.758 12.714 1.00 0.00 C ATOM 2043 C TYR B 115 4.669 -1.114 11.356 1.00 0.00 C ATOM 2044 O TYR B 115 3.680 -1.841 11.306 1.00 0.00 O ATOM 2045 CB TYR B 115 5.185 0.741 13.049 1.00 0.00 C ATOM 2046 CG TYR B 115 3.941 1.407 12.485 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.691 1.174 13.085 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.006 2.091 11.254 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.515 1.609 12.450 1.00 0.00 C ATOM 2050 CE2 TYR B 115 2.826 2.488 10.603 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.584 2.261 11.211 1.00 0.00 C ATOM 2052 OH TYR B 115 0.448 2.653 10.578 1.00 0.00 O ATOM 0 H TYR B 115 7.350 -0.511 13.100 1.00 0.00 H new ATOM 0 HA TYR B 115 4.724 -1.283 13.480 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.191 0.863 14.132 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.066 1.255 12.665 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.634 0.661 14.034 1.00 0.00 H new ATOM 0 HD2 TYR B 115 4.966 2.310 10.810 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.556 1.441 12.918 1.00 0.00 H new ATOM 0 HE2 TYR B 115 2.876 2.967 9.636 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.300 2.092 10.872 1.00 0.00 H new ATOM 2062 N TRP B 116 5.292 -0.717 10.241 1.00 0.00 N ATOM 2063 CA TRP B 116 4.815 -1.129 8.926 1.00 0.00 C ATOM 2064 C TRP B 116 4.684 -2.653 8.746 1.00 0.00 C ATOM 2065 O TRP B 116 3.699 -3.097 8.161 1.00 0.00 O ATOM 2066 CB TRP B 116 5.587 -0.464 7.782 1.00 0.00 C ATOM 2067 CG TRP B 116 5.118 0.911 7.413 1.00 0.00 C ATOM 2068 CD1 TRP B 116 5.875 2.030 7.379 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.772 1.331 7.025 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.095 3.097 6.996 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.796 2.727 6.749 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.534 0.675 6.877 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.654 3.433 6.346 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.371 1.388 6.539 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.422 2.768 6.293 1.00 0.00 C ATOM 0 H TRP B 116 6.118 -0.118 10.227 1.00 0.00 H new ATOM 0 HA TRP B 116 3.793 -0.755 8.874 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.640 -0.410 8.058 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.521 -1.102 6.901 1.00 0.00 H new ATOM 0 HD1 TRP B 116 6.928 2.079 7.615 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.442 4.052 6.906 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.478 -0.393 7.026 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 2.723 4.477 6.079 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.427 0.868 6.468 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.518 3.314 6.064 1.00 0.00 H new ATOM 2086 N LYS B 117 5.617 -3.482 9.239 1.00 0.00 N ATOM 2087 CA LYS B 117 5.424 -4.941 9.212 1.00 0.00 C ATOM 2088 C LYS B 117 4.047 -5.320 9.806 1.00 0.00 C ATOM 2089 O LYS B 117 3.212 -5.914 9.120 1.00 0.00 O ATOM 2090 CB LYS B 117 6.534 -5.718 9.971 1.00 0.00 C ATOM 2091 CG LYS B 117 7.982 -5.588 9.469 1.00 0.00 C ATOM 2092 CD LYS B 117 8.990 -6.162 10.497 1.00 0.00 C ATOM 2093 CE LYS B 117 10.451 -5.792 10.154 1.00 0.00 C ATOM 2094 NZ LYS B 117 11.337 -5.651 11.337 1.00 0.00 N ATOM 0 H LYS B 117 6.497 -3.175 9.654 1.00 0.00 H new ATOM 0 HA LYS B 117 5.476 -5.231 8.162 1.00 0.00 H new ATOM 0 HB2 LYS B 117 6.512 -5.398 11.013 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.270 -6.775 9.957 1.00 0.00 H new ATOM 0 HG2 LYS B 117 8.088 -6.114 8.520 1.00 0.00 H new ATOM 0 HG3 LYS B 117 8.210 -4.539 9.280 1.00 0.00 H new ATOM 0 HD2 LYS B 117 8.746 -5.786 11.491 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.891 -7.247 10.533 1.00 0.00 H new ATOM 0 HE2 LYS B 117 10.862 -6.557 9.495 1.00 0.00 H new ATOM 0 HE3 LYS B 117 10.456 -4.855 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 12.227 -5.194 11.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.864 -5.069 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 11.542 -6.591 11.731 1.00 0.00 H new ATOM 2108 N LEU B 118 3.784 -4.938 11.060 1.00 0.00 N ATOM 2109 CA LEU B 118 2.529 -5.275 11.740 1.00 0.00 C ATOM 2110 C LEU B 118 1.309 -4.646 11.043 1.00 0.00 C ATOM 2111 O LEU B 118 0.301 -5.303 10.778 1.00 0.00 O ATOM 2112 CB LEU B 118 2.605 -4.852 13.213 1.00 0.00 C ATOM 2113 CG LEU B 118 3.721 -5.561 13.999 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.772 -4.974 15.414 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.507 -7.075 14.091 1.00 0.00 C ATOM 0 H LEU B 118 4.430 -4.390 11.629 1.00 0.00 H new ATOM 0 HA LEU B 118 2.396 -6.356 11.689 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.763 -3.775 13.266 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.648 -5.058 13.692 1.00 0.00 H new ATOM 0 HG LEU B 118 4.658 -5.398 13.467 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.559 -5.467 15.984 1.00 0.00 H new ATOM 0 HD12 LEU B 118 3.980 -3.905 15.357 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.813 -5.131 15.908 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.324 -7.524 14.656 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.562 -7.279 14.595 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.483 -7.501 13.088 1.00 0.00 H new ATOM 2127 N GLU B 119 1.403 -3.371 10.685 1.00 0.00 N ATOM 2128 CA GLU B 119 0.391 -2.657 9.917 1.00 0.00 C ATOM 2129 C GLU B 119 0.035 -3.388 8.606 1.00 0.00 C ATOM 2130 O GLU B 119 -1.134 -3.526 8.260 1.00 0.00 O ATOM 2131 CB GLU B 119 0.894 -1.228 9.705 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.183 -0.285 9.156 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.345 -0.086 10.105 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.168 0.524 11.180 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.432 -0.604 9.794 1.00 0.00 O ATOM 0 H GLU B 119 2.206 -2.790 10.927 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.550 -2.622 10.465 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.263 -0.835 10.652 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.739 -1.245 9.016 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.268 0.683 8.938 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -0.557 -0.682 8.213 1.00 0.00 H new ATOM 2142 N ASN B 120 1.018 -3.960 7.902 1.00 0.00 N ATOM 2143 CA ASN B 120 0.805 -4.813 6.723 1.00 0.00 C ATOM 2144 C ASN B 120 0.276 -6.224 7.044 1.00 0.00 C ATOM 2145 O ASN B 120 -0.215 -6.916 6.143 1.00 0.00 O ATOM 2146 CB ASN B 120 2.100 -4.925 5.916 1.00 0.00 C ATOM 2147 CG ASN B 120 2.337 -3.705 5.051 1.00 0.00 C ATOM 2148 OD1 ASN B 120 2.217 -3.757 3.840 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.671 -2.591 5.655 1.00 0.00 N ATOM 0 H ASN B 120 2.003 -3.842 8.139 1.00 0.00 H new ATOM 0 HA ASN B 120 0.025 -4.321 6.142 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.941 -5.056 6.597 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.059 -5.814 5.286 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.836 -1.745 5.110 1.00 0.00 H new ATOM 0 HD22 ASN B 120 2.766 -2.570 6.670 1.00 0.00 H new ATOM 2156 N GLN B 121 0.395 -6.660 8.297 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.055 -7.953 8.812 1.00 0.00 C ATOM 2158 C GLN B 121 -1.565 -7.956 9.122 1.00 0.00 C ATOM 2159 O GLN B 121 -2.250 -8.937 8.854 1.00 0.00 O ATOM 2160 CB GLN B 121 0.796 -8.270 10.052 1.00 0.00 C ATOM 2161 CG GLN B 121 0.836 -9.739 10.477 1.00 0.00 C ATOM 2162 CD GLN B 121 1.908 -9.924 11.545 1.00 0.00 C ATOM 2163 OE1 GLN B 121 3.033 -10.291 11.249 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.605 -9.612 12.793 1.00 0.00 N ATOM 0 H GLN B 121 0.832 -6.089 9.020 1.00 0.00 H new ATOM 0 HA GLN B 121 0.081 -8.729 8.059 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.817 -7.939 9.862 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.419 -7.680 10.888 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.136 -10.044 10.864 1.00 0.00 H new ATOM 0 HG3 GLN B 121 1.050 -10.373 9.617 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.660 -9.306 13.027 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.316 -9.677 13.522 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.099 -6.849 9.652 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.517 -6.693 9.993 1.00 0.00 C ATOM 2175 C LYS B 122 -4.505 -7.151 8.883 1.00 0.00 C ATOM 2176 O LYS B 122 -4.232 -7.007 7.686 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.784 -5.213 10.304 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.095 -4.575 11.522 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.661 -3.146 11.618 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.901 -2.160 12.522 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.322 -0.768 12.231 1.00 0.00 N ATOM 0 H LYS B 122 -1.544 -6.019 9.860 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.699 -7.342 10.850 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.501 -4.635 9.424 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.860 -5.092 10.432 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.303 -5.140 12.430 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.012 -4.560 11.396 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.698 -2.727 10.613 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.689 -3.211 11.974 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.093 -2.394 13.569 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.828 -2.264 12.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.561 -0.112 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.522 -0.671 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -4.179 -0.544 12.775 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.692 -7.621 9.282 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.786 -8.076 8.408 1.00 0.00 C ATOM 2197 C LYS B 123 -7.642 -6.943 7.801 1.00 0.00 C ATOM 2198 O LYS B 123 -8.104 -6.076 8.541 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.688 -9.021 9.229 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.428 -8.333 10.399 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.890 -7.952 10.075 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.368 -6.760 10.925 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.942 -5.465 10.343 1.00 0.00 N ATOM 0 H LYS B 123 -5.930 -7.699 10.271 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.326 -8.576 7.556 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.424 -9.472 8.563 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.078 -9.833 9.626 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.419 -8.997 11.263 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.882 -7.433 10.683 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.976 -7.703 9.017 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.538 -8.810 10.254 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -11.455 -6.783 11.005 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.972 -6.852 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.808 -4.769 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -9.047 -5.593 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.672 -5.123 9.686 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.943 -6.989 6.494 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.152 -6.378 5.910 1.00 0.00 C ATOM 2219 C LEU B 124 -10.083 -7.486 5.401 1.00 0.00 C ATOM 2220 O LEU B 124 -9.702 -8.252 4.514 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.832 -5.325 4.822 1.00 0.00 C ATOM 2222 CG LEU B 124 -10.030 -4.983 3.905 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -11.212 -4.377 4.642 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -9.693 -3.943 2.846 1.00 0.00 C ATOM 0 H LEU B 124 -7.351 -7.454 5.806 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.666 -5.820 6.692 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -8.486 -4.412 5.306 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.010 -5.691 4.207 1.00 0.00 H new ATOM 0 HG LEU B 124 -10.275 -5.954 3.474 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -12.012 -4.164 3.933 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.571 -5.079 5.394 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.902 -3.452 5.128 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -10.574 -3.747 2.235 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.374 -3.020 3.331 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -8.889 -4.316 2.212 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.301 -7.571 5.936 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.313 -8.601 5.648 1.00 0.00 C ATOM 2238 C TYR B 125 -12.928 -8.563 4.223 1.00 0.00 C ATOM 2239 O TYR B 125 -14.054 -9.001 4.019 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.380 -8.537 6.763 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.832 -7.140 7.177 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.178 -6.182 6.203 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.762 -6.752 8.529 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.286 -4.828 6.561 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.924 -5.401 8.889 1.00 0.00 C ATOM 2246 CZ TYR B 125 -14.173 -4.437 7.901 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.893 -3.136 8.168 1.00 0.00 O ATOM 0 H TYR B 125 -11.631 -6.889 6.619 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.809 -9.567 5.649 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.255 -9.098 6.434 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -12.988 -9.046 7.643 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.360 -6.488 5.183 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.583 -7.494 9.293 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.457 -4.083 5.798 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.857 -5.107 9.926 1.00 0.00 H new ATOM 0 HH TYR B 125 -13.796 -3.014 9.136 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.189 -8.060 3.229 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.606 -7.873 1.833 1.00 0.00 C ATOM 2259 C ARG B 126 -13.758 -6.862 1.665 1.00 0.00 C ATOM 2260 O ARG B 126 -13.558 -5.805 1.079 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.890 -9.215 1.130 1.00 0.00 C ATOM 2262 CG ARG B 126 -11.786 -10.288 1.231 1.00 0.00 C ATOM 2263 CD ARG B 126 -10.429 -9.877 0.637 1.00 0.00 C ATOM 2264 NE ARG B 126 -9.704 -8.995 1.572 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.698 -8.147 1.346 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.101 -7.988 0.181 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -8.271 -7.425 2.353 1.00 0.00 N ATOM 0 H ARG B 126 -11.228 -7.754 3.385 1.00 0.00 H new ATOM 0 HA ARG B 126 -11.753 -7.422 1.325 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -13.809 -9.630 1.544 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -13.077 -9.015 0.075 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.644 -10.545 2.281 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -12.129 -11.191 0.725 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -9.832 -10.765 0.428 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -10.581 -9.364 -0.313 1.00 0.00 H new ATOM 0 HE ARG B 126 -10.020 -9.040 2.541 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.403 -8.534 -0.626 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -7.337 -7.318 0.086 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.706 -7.522 3.271 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -7.504 -6.766 2.219 1.00 0.00 H new