USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 140:sc= 2.36 (180deg=-0.199!) USER MOD Set 1.2: A 98 SER OG : rot 48:sc= 2.08 USER MOD Set 2.1: A 30 THR OG1 : rot 88:sc= 1.18 USER MOD Set 2.2: A 91 SER OG : rot -25:sc= 1 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 146:sc= 1.08 (180deg=0.537) USER MOD Set 3.2: A 69 TYR OH : rot 166:sc= 1.21 USER MOD Set 4.1: A 39 SER OG : rot 81:sc= 1.19 USER MOD Set 4.2: A 40 LYS NZ :NH3+ -171:sc= 2.52 (180deg=2.07) USER MOD Set 4.3: A 63 SER OG : rot -94:sc= 1.23 USER MOD Set 4.4: A 65 THR OG1 : rot 82:sc= 2.41 USER MOD Set 5.1: A 24 THR OG1 : rot 170:sc= -0.0192 USER MOD Set 5.2: A 32 LYS NZ :NH3+ -137:sc= 2.2 (180deg=0) USER MOD Set 5.3: A 33 SER OG : rot 108:sc= 2.16 USER MOD Set 5.4: A 36 GLN : amide:sc= 1.08 K(o=5.4,f=-8.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 12 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= 0.724 (180deg=-1!) USER MOD Single : A 20 SER OG : rot -31:sc= 0.933 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.12) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -154:sc= 1.79 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 166:sc= 1.3 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 2.32 (180deg=2.2) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 123:sc= 1.79 USER MOD Single : A 61 MET CE :methyl 167:sc= 0 (180deg=-0.153) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 2.13 (180deg=1.96) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0.794 (180deg=0.671) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0144 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 8.844 6.700 -25.422 1.00 0.00 N ATOM 109 CA SER A 9 7.865 5.914 -26.161 1.00 0.00 C ATOM 110 C SER A 9 6.666 5.576 -25.281 1.00 0.00 C ATOM 111 O SER A 9 5.544 5.908 -25.651 1.00 0.00 O ATOM 112 CB SER A 9 8.527 4.653 -26.725 1.00 0.00 C ATOM 113 OG SER A 9 7.610 3.951 -27.541 1.00 0.00 O ATOM 0 HA SER A 9 7.493 6.505 -26.998 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.410 4.923 -27.305 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.865 4.014 -25.910 1.00 0.00 H new ATOM 0 HG SER A 9 8.040 3.147 -27.900 1.00 0.00 H new ATOM 119 N ILE A 10 6.900 4.997 -24.091 1.00 0.00 N ATOM 120 CA ILE A 10 5.855 4.692 -23.109 1.00 0.00 C ATOM 121 C ILE A 10 5.026 5.928 -22.759 1.00 0.00 C ATOM 122 O ILE A 10 3.808 5.863 -22.853 1.00 0.00 O ATOM 123 CB ILE A 10 6.442 3.978 -21.868 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.362 3.322 -20.974 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.402 4.842 -21.041 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.663 4.222 -19.943 1.00 0.00 C ATOM 0 H ILE A 10 7.834 4.726 -23.784 1.00 0.00 H new ATOM 0 HA ILE A 10 5.159 3.989 -23.566 1.00 0.00 H new ATOM 0 HB ILE A 10 7.046 3.174 -22.289 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.598 2.897 -21.624 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.824 2.492 -20.440 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.768 4.267 -20.190 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.244 5.147 -21.662 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.877 5.727 -20.682 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.932 3.637 -19.386 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.403 4.629 -19.254 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.158 5.040 -20.457 1.00 0.00 H new ATOM 138 N ASN A 11 5.653 7.049 -22.384 1.00 0.00 N ATOM 139 CA ASN A 11 4.960 8.252 -21.917 1.00 0.00 C ATOM 140 C ASN A 11 4.011 8.790 -23.007 1.00 0.00 C ATOM 141 O ASN A 11 2.815 8.966 -22.765 1.00 0.00 O ATOM 142 CB ASN A 11 6.025 9.272 -21.458 1.00 0.00 C ATOM 143 CG ASN A 11 5.547 10.236 -20.377 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.369 10.438 -20.133 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.477 10.837 -19.662 1.00 0.00 N ATOM 0 H ASN A 11 6.668 7.146 -22.397 1.00 0.00 H new ATOM 0 HA ASN A 11 4.319 8.032 -21.064 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.894 8.729 -21.086 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.355 9.848 -22.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.211 11.469 -18.907 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.463 10.670 -19.864 1.00 0.00 H new ATOM 152 N GLN A 12 4.533 8.954 -24.232 1.00 0.00 N ATOM 153 CA GLN A 12 3.755 9.310 -25.422 1.00 0.00 C ATOM 154 C GLN A 12 2.638 8.293 -25.701 1.00 0.00 C ATOM 155 O GLN A 12 1.461 8.665 -25.727 1.00 0.00 O ATOM 156 CB GLN A 12 4.728 9.479 -26.605 1.00 0.00 C ATOM 157 CG GLN A 12 4.049 9.681 -27.974 1.00 0.00 C ATOM 158 CD GLN A 12 3.831 8.373 -28.739 1.00 0.00 C ATOM 159 OE1 GLN A 12 2.718 7.926 -28.968 1.00 0.00 O ATOM 160 NE2 GLN A 12 4.891 7.712 -29.162 1.00 0.00 N ATOM 0 H GLN A 12 5.528 8.840 -24.424 1.00 0.00 H new ATOM 0 HA GLN A 12 3.238 10.255 -25.259 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.375 10.333 -26.406 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.369 8.599 -26.659 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.087 10.172 -27.826 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.659 10.351 -28.580 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.826 8.075 -28.977 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.776 6.838 -29.674 1.00 0.00 H new ATOM 169 N LYS A 13 2.996 7.017 -25.903 1.00 0.00 N ATOM 170 CA LYS A 13 2.081 5.938 -26.283 1.00 0.00 C ATOM 171 C LYS A 13 0.962 5.766 -25.254 1.00 0.00 C ATOM 172 O LYS A 13 -0.196 5.610 -25.638 1.00 0.00 O ATOM 173 CB LYS A 13 2.906 4.652 -26.475 1.00 0.00 C ATOM 174 CG LYS A 13 2.117 3.399 -26.877 1.00 0.00 C ATOM 175 CD LYS A 13 1.467 3.409 -28.262 1.00 0.00 C ATOM 176 CE LYS A 13 2.501 3.529 -29.388 1.00 0.00 C ATOM 177 NZ LYS A 13 1.912 3.137 -30.687 1.00 0.00 N ATOM 0 H LYS A 13 3.960 6.701 -25.803 1.00 0.00 H new ATOM 0 HA LYS A 13 1.583 6.183 -27.221 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.663 4.840 -27.237 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.435 4.441 -25.545 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.789 2.542 -26.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.335 3.238 -26.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.890 2.494 -28.397 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.765 4.241 -28.326 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.867 4.554 -29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.360 2.896 -29.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.252 3.780 -31.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.194 2.163 -30.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.875 3.192 -30.629 1.00 0.00 H new ATOM 191 N LEU A 14 1.286 5.818 -23.960 1.00 0.00 N ATOM 192 CA LEU A 14 0.319 5.668 -22.879 1.00 0.00 C ATOM 193 C LEU A 14 -0.631 6.865 -22.792 1.00 0.00 C ATOM 194 O LEU A 14 -1.829 6.640 -22.656 1.00 0.00 O ATOM 195 CB LEU A 14 1.039 5.360 -21.559 1.00 0.00 C ATOM 196 CG LEU A 14 0.098 4.657 -20.563 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.871 3.647 -19.728 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.568 5.629 -19.599 1.00 0.00 C ATOM 0 H LEU A 14 2.241 5.968 -23.633 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.320 4.813 -23.098 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.905 4.728 -21.753 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.412 6.286 -21.120 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.670 4.172 -21.166 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.193 3.158 -19.029 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.318 2.899 -20.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.657 4.159 -19.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.220 5.079 -18.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.196 6.152 -19.024 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.158 6.353 -20.162 1.00 0.00 H new ATOM 210 N ALA A 15 -0.158 8.113 -22.930 1.00 0.00 N ATOM 211 CA ALA A 15 -1.076 9.255 -23.020 1.00 0.00 C ATOM 212 C ALA A 15 -1.980 9.168 -24.259 1.00 0.00 C ATOM 213 O ALA A 15 -3.189 9.392 -24.163 1.00 0.00 O ATOM 214 CB ALA A 15 -0.308 10.575 -23.029 1.00 0.00 C ATOM 0 H ALA A 15 0.832 8.353 -22.981 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.712 9.220 -22.135 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.012 11.405 -23.096 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.272 10.665 -22.111 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.364 10.599 -23.887 1.00 0.00 H new ATOM 220 N LEU A 16 -1.396 8.808 -25.412 1.00 0.00 N ATOM 221 CA LEU A 16 -2.123 8.577 -26.655 1.00 0.00 C ATOM 222 C LEU A 16 -3.205 7.506 -26.465 1.00 0.00 C ATOM 223 O LEU A 16 -4.332 7.734 -26.892 1.00 0.00 O ATOM 224 CB LEU A 16 -1.114 8.267 -27.777 1.00 0.00 C ATOM 225 CG LEU A 16 -1.717 8.269 -29.197 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.617 8.560 -30.222 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.327 6.921 -29.584 1.00 0.00 C ATOM 0 H LEU A 16 -0.389 8.669 -25.501 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.665 9.474 -26.955 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.308 9.000 -27.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.667 7.291 -27.587 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.497 9.030 -29.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.045 8.561 -31.225 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.175 9.535 -30.015 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.153 7.792 -30.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.735 6.983 -30.593 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.557 6.150 -29.551 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.124 6.668 -28.885 1.00 0.00 H new ATOM 239 N VAL A 17 -2.904 6.398 -25.774 1.00 0.00 N ATOM 240 CA VAL A 17 -3.899 5.413 -25.328 1.00 0.00 C ATOM 241 C VAL A 17 -4.943 6.037 -24.404 1.00 0.00 C ATOM 242 O VAL A 17 -6.123 5.969 -24.731 1.00 0.00 O ATOM 243 CB VAL A 17 -3.228 4.173 -24.698 1.00 0.00 C ATOM 244 CG1 VAL A 17 -4.186 3.283 -23.890 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.654 3.310 -25.824 1.00 0.00 C ATOM 0 H VAL A 17 -1.950 6.157 -25.506 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.433 5.069 -26.213 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.470 4.550 -24.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.637 2.435 -23.481 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.619 3.862 -23.074 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.982 2.921 -24.541 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.175 2.428 -25.399 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.458 3.000 -26.491 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.919 3.886 -26.386 1.00 0.00 H new ATOM 255 N ILE A 18 -4.543 6.651 -23.281 1.00 0.00 N ATOM 256 CA ILE A 18 -5.429 7.263 -22.271 1.00 0.00 C ATOM 257 C ILE A 18 -6.487 8.204 -22.880 1.00 0.00 C ATOM 258 O ILE A 18 -7.595 8.286 -22.350 1.00 0.00 O ATOM 259 CB ILE A 18 -4.574 7.910 -21.148 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.074 6.801 -20.188 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.378 8.956 -20.373 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.427 7.279 -18.875 1.00 0.00 C ATOM 0 H ILE A 18 -3.556 6.740 -23.039 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.026 6.475 -21.813 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.723 8.417 -21.603 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.918 6.157 -19.940 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.350 6.186 -20.723 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.753 9.391 -19.594 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.707 9.740 -21.055 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.248 8.482 -19.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.117 6.415 -18.287 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.557 7.895 -19.101 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.149 7.866 -18.306 1.00 0.00 H new ATOM 274 N LYS A 19 -6.197 8.855 -24.016 1.00 0.00 N ATOM 275 CA LYS A 19 -7.168 9.641 -24.794 1.00 0.00 C ATOM 276 C LYS A 19 -8.455 8.876 -25.178 1.00 0.00 C ATOM 277 O LYS A 19 -9.474 9.538 -25.363 1.00 0.00 O ATOM 278 CB LYS A 19 -6.415 10.288 -25.973 1.00 0.00 C ATOM 279 CG LYS A 19 -7.245 11.051 -27.020 1.00 0.00 C ATOM 280 CD LYS A 19 -7.802 10.208 -28.186 1.00 0.00 C ATOM 281 CE LYS A 19 -6.754 9.753 -29.218 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.077 8.495 -28.832 1.00 0.00 N ATOM 0 H LYS A 19 -5.264 8.850 -24.428 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.578 10.431 -24.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.678 10.978 -25.562 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.863 9.503 -26.490 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.082 11.530 -26.512 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.626 11.846 -27.436 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.292 9.325 -27.775 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.568 10.788 -28.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.238 9.618 -30.185 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.008 10.538 -29.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.920 7.911 -29.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.162 8.715 -28.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.672 7.973 -28.157 1.00 0.00 H new ATOM 296 N SER A 20 -8.467 7.532 -25.253 1.00 0.00 N ATOM 297 CA SER A 20 -9.730 6.758 -25.297 1.00 0.00 C ATOM 298 C SER A 20 -9.692 5.299 -24.792 1.00 0.00 C ATOM 299 O SER A 20 -10.751 4.743 -24.503 1.00 0.00 O ATOM 300 CB SER A 20 -10.350 6.801 -26.702 1.00 0.00 C ATOM 301 OG SER A 20 -9.730 5.912 -27.605 1.00 0.00 O ATOM 0 H SER A 20 -7.624 6.959 -25.284 1.00 0.00 H new ATOM 0 HA SER A 20 -10.351 7.275 -24.565 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.411 6.559 -26.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.279 7.816 -27.093 1.00 0.00 H new ATOM 0 HG SER A 20 -8.786 5.807 -27.364 1.00 0.00 H new ATOM 307 N GLY A 21 -8.518 4.676 -24.633 1.00 0.00 N ATOM 308 CA GLY A 21 -8.356 3.316 -24.111 1.00 0.00 C ATOM 309 C GLY A 21 -8.456 3.257 -22.581 1.00 0.00 C ATOM 310 O GLY A 21 -8.241 4.247 -21.881 1.00 0.00 O ATOM 0 H GLY A 21 -7.630 5.118 -24.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.118 2.670 -24.547 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.389 2.923 -24.424 1.00 0.00 H new ATOM 314 N LYS A 22 -8.774 2.072 -22.049 1.00 0.00 N ATOM 315 CA LYS A 22 -9.174 1.893 -20.646 1.00 0.00 C ATOM 316 C LYS A 22 -7.970 1.645 -19.738 1.00 0.00 C ATOM 317 O LYS A 22 -7.343 0.586 -19.815 1.00 0.00 O ATOM 318 CB LYS A 22 -10.206 0.763 -20.529 1.00 0.00 C ATOM 319 CG LYS A 22 -11.575 1.215 -21.072 1.00 0.00 C ATOM 320 CD LYS A 22 -12.600 0.078 -21.172 1.00 0.00 C ATOM 321 CE LYS A 22 -12.841 -0.622 -19.829 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.815 -1.724 -19.977 1.00 0.00 N ATOM 0 H LYS A 22 -8.761 1.203 -22.583 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.636 2.820 -20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.860 -0.110 -21.082 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.305 0.461 -19.486 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.973 1.997 -20.425 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.437 1.657 -22.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.544 0.477 -21.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.254 -0.654 -21.902 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.899 -1.013 -19.444 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.209 0.099 -19.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.911 -2.226 -19.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.738 -1.336 -20.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.482 -2.386 -20.706 1.00 0.00 H new ATOM 336 N TYR A 23 -7.674 2.617 -18.868 1.00 0.00 N ATOM 337 CA TYR A 23 -6.578 2.585 -17.899 1.00 0.00 C ATOM 338 C TYR A 23 -7.051 2.584 -16.427 1.00 0.00 C ATOM 339 O TYR A 23 -8.228 2.782 -16.136 1.00 0.00 O ATOM 340 CB TYR A 23 -5.680 3.794 -18.197 1.00 0.00 C ATOM 341 CG TYR A 23 -6.311 5.130 -17.850 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.223 5.750 -18.728 1.00 0.00 C ATOM 343 CD2 TYR A 23 -5.978 5.745 -16.630 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.810 6.981 -18.379 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.559 6.978 -16.278 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.476 7.600 -17.158 1.00 0.00 C ATOM 347 OH TYR A 23 -8.026 8.802 -16.837 1.00 0.00 O ATOM 0 H TYR A 23 -8.214 3.481 -18.820 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.033 1.647 -18.010 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.749 3.688 -17.641 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.421 3.790 -19.256 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.471 5.281 -19.668 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.275 5.270 -15.962 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.516 7.451 -19.047 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.306 7.448 -15.339 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.693 9.091 -15.962 1.00 0.00 H new ATOM 357 N THR A 24 -6.114 2.378 -15.494 1.00 0.00 N ATOM 358 CA THR A 24 -6.281 2.501 -14.033 1.00 0.00 C ATOM 359 C THR A 24 -5.005 3.067 -13.385 1.00 0.00 C ATOM 360 O THR A 24 -3.915 2.864 -13.924 1.00 0.00 O ATOM 361 CB THR A 24 -6.679 1.140 -13.431 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.962 1.275 -12.064 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.619 0.044 -13.564 1.00 0.00 C ATOM 0 H THR A 24 -5.164 2.106 -15.748 1.00 0.00 H new ATOM 0 HA THR A 24 -7.086 3.206 -13.823 1.00 0.00 H new ATOM 0 HB THR A 24 -7.551 0.833 -14.009 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.366 0.447 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.989 -0.876 -13.112 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.406 -0.130 -14.619 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.707 0.357 -13.056 1.00 0.00 H new ATOM 371 N LEU A 25 -5.129 3.773 -12.245 1.00 0.00 N ATOM 372 CA LEU A 25 -4.050 4.535 -11.586 1.00 0.00 C ATOM 373 C LEU A 25 -4.066 4.396 -10.060 1.00 0.00 C ATOM 374 O LEU A 25 -5.111 4.573 -9.427 1.00 0.00 O ATOM 375 CB LEU A 25 -4.184 6.041 -11.893 1.00 0.00 C ATOM 376 CG LEU A 25 -4.040 6.448 -13.364 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.295 7.949 -13.500 1.00 0.00 C ATOM 378 CD2 LEU A 25 -2.645 6.146 -13.902 1.00 0.00 C ATOM 0 H LEU A 25 -6.013 3.831 -11.740 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.121 4.121 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.158 6.377 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.432 6.577 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.766 5.873 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.193 8.242 -14.545 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.303 8.180 -13.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.571 8.497 -12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.585 6.449 -14.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.904 6.696 -13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.448 5.077 -13.822 1.00 0.00 H new ATOM 390 N GLY A 26 -2.892 4.163 -9.464 1.00 0.00 N ATOM 391 CA GLY A 26 -2.718 4.038 -8.013 1.00 0.00 C ATOM 392 C GLY A 26 -2.816 2.582 -7.550 1.00 0.00 C ATOM 393 O GLY A 26 -3.568 1.794 -8.126 1.00 0.00 O ATOM 0 H GLY A 26 -2.022 4.054 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.748 4.445 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.476 4.633 -7.504 1.00 0.00 H new ATOM 397 N TYR A 27 -2.059 2.223 -6.504 1.00 0.00 N ATOM 398 CA TYR A 27 -1.770 0.829 -6.137 1.00 0.00 C ATOM 399 C TYR A 27 -3.036 -0.024 -5.950 1.00 0.00 C ATOM 400 O TYR A 27 -3.170 -1.073 -6.574 1.00 0.00 O ATOM 401 CB TYR A 27 -0.856 0.790 -4.902 1.00 0.00 C ATOM 402 CG TYR A 27 -0.231 -0.572 -4.656 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.978 -0.915 -5.296 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.861 -1.505 -3.804 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.535 -2.182 -5.099 1.00 0.00 C ATOM 406 CE2 TYR A 27 -0.285 -2.774 -3.588 1.00 0.00 C ATOM 407 CZ TYR A 27 0.912 -3.114 -4.250 1.00 0.00 C ATOM 408 OH TYR A 27 1.541 -4.298 -4.047 1.00 0.00 O ATOM 0 H TYR A 27 -1.624 2.902 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.243 0.372 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.063 1.529 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.432 1.081 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.473 -0.200 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.789 -1.246 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.452 -2.447 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.757 -3.480 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 27 0.881 -4.983 -3.814 1.00 0.00 H new ATOM 418 N LYS A 28 -3.998 0.452 -5.146 1.00 0.00 N ATOM 419 CA LYS A 28 -5.302 -0.196 -4.944 1.00 0.00 C ATOM 420 C LYS A 28 -6.044 -0.424 -6.270 1.00 0.00 C ATOM 421 O LYS A 28 -6.554 -1.515 -6.508 1.00 0.00 O ATOM 422 CB LYS A 28 -6.128 0.649 -3.957 1.00 0.00 C ATOM 423 CG LYS A 28 -7.472 0.000 -3.586 1.00 0.00 C ATOM 424 CD LYS A 28 -8.226 0.859 -2.561 1.00 0.00 C ATOM 425 CE LYS A 28 -9.568 0.207 -2.207 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.325 1.016 -1.220 1.00 0.00 N ATOM 0 H LYS A 28 -3.890 1.312 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.146 -1.188 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.546 0.809 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.313 1.630 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.081 -0.124 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.300 -0.996 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.623 0.977 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.394 1.857 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.164 0.085 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.393 -0.790 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.227 0.545 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.767 1.111 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.513 1.959 -1.615 1.00 0.00 H new ATOM 440 N SER A 29 -6.086 0.596 -7.128 1.00 0.00 N ATOM 441 CA SER A 29 -6.778 0.633 -8.418 1.00 0.00 C ATOM 442 C SER A 29 -6.229 -0.388 -9.415 1.00 0.00 C ATOM 443 O SER A 29 -7.008 -1.112 -10.055 1.00 0.00 O ATOM 444 CB SER A 29 -6.604 2.020 -9.039 1.00 0.00 C ATOM 445 OG SER A 29 -6.629 3.059 -8.085 1.00 0.00 O ATOM 0 H SER A 29 -5.607 1.474 -6.928 1.00 0.00 H new ATOM 0 HA SER A 29 -7.824 0.397 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.658 2.054 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.395 2.186 -9.770 1.00 0.00 H new ATOM 0 HG SER A 29 -6.301 3.887 -8.494 1.00 0.00 H new ATOM 451 N THR A 30 -4.892 -0.435 -9.562 1.00 0.00 N ATOM 452 CA THR A 30 -4.219 -1.517 -10.282 1.00 0.00 C ATOM 453 C THR A 30 -4.531 -2.848 -9.600 1.00 0.00 C ATOM 454 O THR A 30 -5.293 -3.597 -10.199 1.00 0.00 O ATOM 455 CB THR A 30 -2.742 -1.225 -10.597 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.187 -2.320 -11.270 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.846 -0.916 -9.411 1.00 0.00 C ATOM 0 H THR A 30 -4.259 0.271 -9.187 1.00 0.00 H new ATOM 0 HA THR A 30 -4.626 -1.597 -11.290 1.00 0.00 H new ATOM 0 HB THR A 30 -2.773 -0.315 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.331 -2.219 -12.234 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.831 -0.728 -9.761 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.220 -0.033 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.843 -1.764 -8.727 1.00 0.00 H new ATOM 465 N VAL A 31 -4.105 -3.119 -8.353 1.00 0.00 N ATOM 466 CA VAL A 31 -4.319 -4.411 -7.658 1.00 0.00 C ATOM 467 C VAL A 31 -5.750 -4.943 -7.799 1.00 0.00 C ATOM 468 O VAL A 31 -5.913 -6.091 -8.207 1.00 0.00 O ATOM 469 CB VAL A 31 -3.884 -4.337 -6.180 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.288 -5.600 -5.405 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.359 -4.210 -6.094 1.00 0.00 C ATOM 0 H VAL A 31 -3.595 -2.440 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.678 -5.135 -8.161 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.379 -3.470 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.964 -5.510 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.371 -5.716 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.816 -6.472 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.057 -4.158 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.895 -5.077 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.040 -3.304 -6.609 1.00 0.00 H new ATOM 481 N LYS A 32 -6.781 -4.121 -7.549 1.00 0.00 N ATOM 482 CA LYS A 32 -8.190 -4.431 -7.846 1.00 0.00 C ATOM 483 C LYS A 32 -8.351 -4.966 -9.276 1.00 0.00 C ATOM 484 O LYS A 32 -8.802 -6.091 -9.473 1.00 0.00 O ATOM 485 CB LYS A 32 -9.025 -3.158 -7.602 1.00 0.00 C ATOM 486 CG LYS A 32 -10.516 -3.282 -7.982 1.00 0.00 C ATOM 487 CD LYS A 32 -11.142 -1.945 -8.421 1.00 0.00 C ATOM 488 CE LYS A 32 -10.518 -1.356 -9.700 1.00 0.00 C ATOM 489 NZ LYS A 32 -10.813 -2.152 -10.918 1.00 0.00 N ATOM 0 H LYS A 32 -6.656 -3.202 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.547 -5.223 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.954 -2.890 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.586 -2.338 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.620 -4.007 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.071 -3.673 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.210 -2.091 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.038 -1.223 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.886 -0.340 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.438 -1.289 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.952 -2.236 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.139 -3.100 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.555 -1.678 -11.471 1.00 0.00 H new ATOM 503 N SER A 33 -7.984 -4.154 -10.271 1.00 0.00 N ATOM 504 CA SER A 33 -8.087 -4.466 -11.701 1.00 0.00 C ATOM 505 C SER A 33 -7.284 -5.711 -12.121 1.00 0.00 C ATOM 506 O SER A 33 -7.741 -6.469 -12.979 1.00 0.00 O ATOM 507 CB SER A 33 -7.623 -3.258 -12.525 1.00 0.00 C ATOM 508 OG SER A 33 -8.239 -2.063 -12.066 1.00 0.00 O ATOM 0 H SER A 33 -7.593 -3.228 -10.098 1.00 0.00 H new ATOM 0 HA SER A 33 -9.136 -4.691 -11.894 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.539 -3.162 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.865 -3.416 -13.576 1.00 0.00 H new ATOM 0 HG SER A 33 -7.579 -1.516 -11.592 1.00 0.00 H new ATOM 514 N LEU A 34 -6.111 -5.936 -11.512 1.00 0.00 N ATOM 515 CA LEU A 34 -5.280 -7.116 -11.773 1.00 0.00 C ATOM 516 C LEU A 34 -5.879 -8.374 -11.122 1.00 0.00 C ATOM 517 O LEU A 34 -5.910 -9.426 -11.752 1.00 0.00 O ATOM 518 CB LEU A 34 -3.822 -6.926 -11.308 1.00 0.00 C ATOM 519 CG LEU A 34 -3.116 -5.587 -11.573 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.648 -5.628 -11.164 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.239 -5.116 -13.014 1.00 0.00 C ATOM 0 H LEU A 34 -5.712 -5.300 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.267 -7.248 -12.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.795 -7.103 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.225 -7.709 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.637 -4.861 -10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.186 -4.662 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.573 -5.848 -10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.134 -6.403 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.719 -4.166 -13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.795 -5.858 -13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.292 -4.987 -13.266 1.00 0.00 H new ATOM 533 N ARG A 35 -6.405 -8.278 -9.888 1.00 0.00 N ATOM 534 CA ARG A 35 -7.123 -9.368 -9.202 1.00 0.00 C ATOM 535 C ARG A 35 -8.467 -9.698 -9.859 1.00 0.00 C ATOM 536 O ARG A 35 -8.871 -10.856 -9.846 1.00 0.00 O ATOM 537 CB ARG A 35 -7.308 -9.036 -7.711 1.00 0.00 C ATOM 538 CG ARG A 35 -5.969 -9.088 -6.955 1.00 0.00 C ATOM 539 CD ARG A 35 -6.114 -8.679 -5.483 1.00 0.00 C ATOM 540 NE ARG A 35 -6.736 -9.745 -4.675 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.169 -10.500 -3.738 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.911 -10.387 -3.373 1.00 0.00 N ATOM 543 NH2 ARG A 35 -6.883 -11.420 -3.130 1.00 0.00 N ATOM 0 H ARG A 35 -6.342 -7.427 -9.330 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.506 -10.262 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.747 -8.043 -7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.008 -9.742 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.562 -10.098 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.252 -8.428 -7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.132 -8.440 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.717 -7.773 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.723 -9.926 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.312 -9.690 -3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.534 -10.996 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.864 -11.551 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.457 -12.004 -2.410 1.00 0.00 H new ATOM 557 N GLN A 36 -9.110 -8.724 -10.513 1.00 0.00 N ATOM 558 CA GLN A 36 -10.194 -8.942 -11.481 1.00 0.00 C ATOM 559 C GLN A 36 -9.722 -9.607 -12.794 1.00 0.00 C ATOM 560 O GLN A 36 -10.545 -9.881 -13.663 1.00 0.00 O ATOM 561 CB GLN A 36 -10.894 -7.604 -11.782 1.00 0.00 C ATOM 562 CG GLN A 36 -11.740 -7.095 -10.607 1.00 0.00 C ATOM 563 CD GLN A 36 -12.357 -5.735 -10.922 1.00 0.00 C ATOM 564 OE1 GLN A 36 -11.686 -4.709 -10.979 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.658 -5.673 -11.135 1.00 0.00 N ATOM 0 H GLN A 36 -8.886 -7.738 -10.381 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.894 -9.640 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.143 -6.855 -12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.532 -7.722 -12.658 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.529 -7.813 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.119 -7.018 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.223 -6.521 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.098 -4.777 -11.345 1.00 0.00 H new ATOM 574 N GLY A 37 -8.415 -9.859 -12.967 1.00 0.00 N ATOM 575 CA GLY A 37 -7.831 -10.554 -14.113 1.00 0.00 C ATOM 576 C GLY A 37 -7.747 -9.719 -15.393 1.00 0.00 C ATOM 577 O GLY A 37 -7.370 -10.256 -16.433 1.00 0.00 O ATOM 0 H GLY A 37 -7.714 -9.571 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.828 -10.887 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.420 -11.448 -14.317 1.00 0.00 H new ATOM 581 N LYS A 38 -8.123 -8.431 -15.351 1.00 0.00 N ATOM 582 CA LYS A 38 -8.648 -7.714 -16.513 1.00 0.00 C ATOM 583 C LYS A 38 -7.691 -6.681 -17.123 1.00 0.00 C ATOM 584 O LYS A 38 -8.046 -6.036 -18.110 1.00 0.00 O ATOM 585 CB LYS A 38 -10.017 -7.116 -16.123 1.00 0.00 C ATOM 586 CG LYS A 38 -11.194 -7.666 -16.953 1.00 0.00 C ATOM 587 CD LYS A 38 -11.109 -7.440 -18.472 1.00 0.00 C ATOM 588 CE LYS A 38 -11.182 -5.954 -18.844 1.00 0.00 C ATOM 589 NZ LYS A 38 -10.123 -5.577 -19.802 1.00 0.00 N ATOM 0 H LYS A 38 -8.070 -7.861 -14.507 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.768 -8.429 -17.327 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.203 -7.316 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.977 -6.033 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.274 -8.737 -16.769 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.115 -7.210 -16.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.177 -7.861 -18.848 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.922 -7.976 -18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.158 -5.735 -19.276 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.089 -5.348 -17.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.151 -4.550 -19.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.195 -5.841 -19.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.276 -6.074 -20.702 1.00 0.00 H new ATOM 603 N SER A 39 -6.485 -6.531 -16.578 1.00 0.00 N ATOM 604 CA SER A 39 -5.376 -5.832 -17.230 1.00 0.00 C ATOM 605 C SER A 39 -4.852 -6.590 -18.454 1.00 0.00 C ATOM 606 O SER A 39 -5.121 -7.779 -18.642 1.00 0.00 O ATOM 607 CB SER A 39 -4.233 -5.666 -16.231 1.00 0.00 C ATOM 608 OG SER A 39 -3.866 -6.923 -15.697 1.00 0.00 O ATOM 0 H SER A 39 -6.246 -6.897 -15.656 1.00 0.00 H new ATOM 0 HA SER A 39 -5.749 -4.865 -17.567 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.375 -5.206 -16.722 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.537 -4.996 -15.427 1.00 0.00 H new ATOM 0 HG SER A 39 -3.279 -7.388 -16.329 1.00 0.00 H new ATOM 614 N LYS A 40 -4.002 -5.922 -19.240 1.00 0.00 N ATOM 615 CA LYS A 40 -3.060 -6.582 -20.149 1.00 0.00 C ATOM 616 C LYS A 40 -1.647 -5.977 -20.139 1.00 0.00 C ATOM 617 O LYS A 40 -0.699 -6.668 -20.510 1.00 0.00 O ATOM 618 CB LYS A 40 -3.717 -6.635 -21.532 1.00 0.00 C ATOM 619 CG LYS A 40 -3.093 -7.634 -22.522 1.00 0.00 C ATOM 620 CD LYS A 40 -2.962 -9.082 -22.022 1.00 0.00 C ATOM 621 CE LYS A 40 -4.284 -9.727 -21.569 1.00 0.00 C ATOM 622 NZ LYS A 40 -4.343 -9.948 -20.102 1.00 0.00 N ATOM 0 H LYS A 40 -3.948 -4.904 -19.264 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.869 -7.598 -19.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.770 -6.885 -21.406 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.676 -5.639 -21.973 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.693 -7.637 -23.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.101 -7.273 -22.796 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.531 -9.689 -22.818 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.259 -9.102 -21.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.116 -9.090 -21.870 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.412 -10.681 -22.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.181 -10.519 -19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.486 -10.449 -19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.403 -9.031 -19.615 1.00 0.00 H new ATOM 636 N LEU A 41 -1.477 -4.754 -19.615 1.00 0.00 N ATOM 637 CA LEU A 41 -0.167 -4.133 -19.372 1.00 0.00 C ATOM 638 C LEU A 41 -0.191 -3.355 -18.040 1.00 0.00 C ATOM 639 O LEU A 41 -1.132 -2.597 -17.812 1.00 0.00 O ATOM 640 CB LEU A 41 0.157 -3.286 -20.623 1.00 0.00 C ATOM 641 CG LEU A 41 1.343 -2.303 -20.619 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.041 -1.030 -19.829 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.664 -2.926 -20.165 1.00 0.00 C ATOM 0 H LEU A 41 -2.260 -4.159 -19.344 1.00 0.00 H new ATOM 0 HA LEU A 41 0.636 -4.859 -19.243 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.318 -3.980 -21.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.737 -2.710 -20.861 1.00 0.00 H new ATOM 0 HG LEU A 41 1.477 -2.029 -21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.908 -0.370 -19.857 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.184 -0.522 -20.271 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.815 -1.289 -18.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.450 -2.171 -20.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.557 -3.306 -19.149 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.928 -3.746 -20.833 1.00 0.00 H new ATOM 655 N ILE A 42 0.826 -3.516 -17.177 1.00 0.00 N ATOM 656 CA ILE A 42 1.067 -2.667 -15.994 1.00 0.00 C ATOM 657 C ILE A 42 2.336 -1.808 -16.152 1.00 0.00 C ATOM 658 O ILE A 42 3.321 -2.250 -16.746 1.00 0.00 O ATOM 659 CB ILE A 42 1.089 -3.468 -14.664 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.346 -4.336 -14.425 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.151 -4.357 -14.479 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.443 -4.817 -12.972 1.00 0.00 C ATOM 0 H ILE A 42 1.520 -4.256 -17.283 1.00 0.00 H new ATOM 0 HA ILE A 42 0.213 -1.992 -15.934 1.00 0.00 H new ATOM 0 HB ILE A 42 1.099 -2.671 -13.921 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.324 -5.198 -15.092 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.237 -3.761 -14.677 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.078 -4.891 -13.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.047 -3.736 -14.477 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.209 -5.075 -15.297 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.340 -5.423 -12.849 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.493 -3.955 -12.306 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.565 -5.415 -12.727 1.00 0.00 H new ATOM 674 N ILE A 43 2.331 -0.606 -15.553 1.00 0.00 N ATOM 675 CA ILE A 43 3.505 0.269 -15.414 1.00 0.00 C ATOM 676 C ILE A 43 3.791 0.499 -13.933 1.00 0.00 C ATOM 677 O ILE A 43 2.867 0.780 -13.163 1.00 0.00 O ATOM 678 CB ILE A 43 3.316 1.660 -16.061 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.726 1.680 -17.481 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.632 2.460 -16.030 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.591 1.031 -18.562 1.00 0.00 C ATOM 0 H ILE A 43 1.488 -0.206 -15.141 1.00 0.00 H new ATOM 0 HA ILE A 43 4.323 -0.239 -15.925 1.00 0.00 H new ATOM 0 HB ILE A 43 2.555 2.132 -15.439 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.760 1.175 -17.462 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.539 2.716 -17.763 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.476 3.436 -16.490 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.952 2.594 -14.997 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.401 1.918 -16.581 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.083 1.099 -19.524 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.549 1.547 -18.620 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.758 -0.017 -18.314 1.00 0.00 H new ATOM 693 N ILE A 44 5.075 0.497 -13.564 1.00 0.00 N ATOM 694 CA ILE A 44 5.541 0.949 -12.250 1.00 0.00 C ATOM 695 C ILE A 44 6.544 2.101 -12.440 1.00 0.00 C ATOM 696 O ILE A 44 7.759 1.894 -12.465 1.00 0.00 O ATOM 697 CB ILE A 44 6.057 -0.242 -11.407 1.00 0.00 C ATOM 698 CG1 ILE A 44 5.019 -1.384 -11.268 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.435 0.191 -9.990 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.457 -2.616 -12.052 1.00 0.00 C ATOM 0 H ILE A 44 5.827 0.179 -14.175 1.00 0.00 H new ATOM 0 HA ILE A 44 4.717 1.356 -11.663 1.00 0.00 H new ATOM 0 HB ILE A 44 6.929 -0.606 -11.951 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.895 -1.642 -10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.048 -1.044 -11.629 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.793 -0.672 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.222 0.944 -10.037 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.561 0.610 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.712 -3.403 -11.938 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.556 -2.360 -13.107 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.416 -2.967 -11.672 1.00 0.00 H new ATOM 712 N ALA A 45 6.019 3.327 -12.570 1.00 0.00 N ATOM 713 CA ALA A 45 6.749 4.596 -12.483 1.00 0.00 C ATOM 714 C ALA A 45 6.568 5.213 -11.085 1.00 0.00 C ATOM 715 O ALA A 45 6.135 6.356 -10.919 1.00 0.00 O ATOM 716 CB ALA A 45 6.322 5.544 -13.614 1.00 0.00 C ATOM 0 H ALA A 45 5.024 3.466 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 45 7.815 4.414 -12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.875 6.480 -13.532 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.534 5.080 -14.577 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.254 5.745 -13.536 1.00 0.00 H new ATOM 722 N ALA A 46 6.868 4.408 -10.066 1.00 0.00 N ATOM 723 CA ALA A 46 6.780 4.748 -8.654 1.00 0.00 C ATOM 724 C ALA A 46 7.868 3.974 -7.901 1.00 0.00 C ATOM 725 O ALA A 46 8.067 2.789 -8.181 1.00 0.00 O ATOM 726 CB ALA A 46 5.380 4.370 -8.152 1.00 0.00 C ATOM 0 H ALA A 46 7.195 3.454 -10.215 1.00 0.00 H new ATOM 0 HA ALA A 46 6.934 5.814 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.294 4.617 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.629 4.923 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.221 3.300 -8.289 1.00 0.00 H new ATOM 732 N ASN A 47 8.562 4.616 -6.953 1.00 0.00 N ATOM 733 CA ASN A 47 9.612 4.005 -6.125 1.00 0.00 C ATOM 734 C ASN A 47 9.065 2.901 -5.200 1.00 0.00 C ATOM 735 O ASN A 47 8.720 3.118 -4.041 1.00 0.00 O ATOM 736 CB ASN A 47 10.441 5.101 -5.434 1.00 0.00 C ATOM 737 CG ASN A 47 11.503 5.619 -6.396 1.00 0.00 C ATOM 738 OD1 ASN A 47 12.618 5.119 -6.427 1.00 0.00 O ATOM 739 ND2 ASN A 47 11.172 6.546 -7.269 1.00 0.00 N ATOM 0 H ASN A 47 8.406 5.600 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 47 10.309 3.464 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.792 5.918 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.912 4.703 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.846 6.848 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.241 6.963 -7.242 1.00 0.00 H new ATOM 746 N THR A 48 8.949 1.710 -5.792 1.00 0.00 N ATOM 747 CA THR A 48 8.171 0.553 -5.346 1.00 0.00 C ATOM 748 C THR A 48 9.101 -0.542 -4.799 1.00 0.00 C ATOM 749 O THR A 48 9.820 -1.151 -5.592 1.00 0.00 O ATOM 750 CB THR A 48 7.343 0.050 -6.542 1.00 0.00 C ATOM 751 OG1 THR A 48 6.513 1.093 -6.997 1.00 0.00 O ATOM 752 CG2 THR A 48 6.421 -1.119 -6.227 1.00 0.00 C ATOM 0 H THR A 48 9.436 1.515 -6.666 1.00 0.00 H new ATOM 0 HA THR A 48 7.501 0.832 -4.533 1.00 0.00 H new ATOM 0 HB THR A 48 8.075 -0.283 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.958 1.570 -7.729 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.878 -1.407 -7.127 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.012 -1.964 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.712 -0.825 -5.453 1.00 0.00 H new ATOM 760 N PRO A 49 9.129 -0.813 -3.477 1.00 0.00 N ATOM 761 CA PRO A 49 10.049 -1.790 -2.892 1.00 0.00 C ATOM 762 C PRO A 49 9.721 -3.241 -3.294 1.00 0.00 C ATOM 763 O PRO A 49 8.633 -3.541 -3.787 1.00 0.00 O ATOM 764 CB PRO A 49 9.972 -1.562 -1.377 1.00 0.00 C ATOM 765 CG PRO A 49 8.571 -0.994 -1.169 1.00 0.00 C ATOM 766 CD PRO A 49 8.329 -0.178 -2.438 1.00 0.00 C ATOM 0 HA PRO A 49 11.063 -1.647 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.114 -2.491 -0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.740 -0.868 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.830 -1.785 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.518 -0.373 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.272 -0.175 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.625 0.861 -2.297 1.00 0.00 H new ATOM 774 N VAL A 50 10.675 -4.152 -3.056 1.00 0.00 N ATOM 775 CA VAL A 50 10.717 -5.513 -3.624 1.00 0.00 C ATOM 776 C VAL A 50 9.415 -6.298 -3.430 1.00 0.00 C ATOM 777 O VAL A 50 8.860 -6.795 -4.406 1.00 0.00 O ATOM 778 CB VAL A 50 11.929 -6.307 -3.084 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.028 -7.697 -3.730 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.250 -5.571 -3.356 1.00 0.00 C ATOM 0 H VAL A 50 11.467 -3.958 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 50 10.835 -5.384 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 50 11.770 -6.406 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.891 -8.225 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.122 -8.264 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.141 -7.590 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.081 -6.157 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.377 -5.436 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.231 -4.597 -2.868 1.00 0.00 H new ATOM 790 N LEU A 51 8.896 -6.404 -2.202 1.00 0.00 N ATOM 791 CA LEU A 51 7.644 -7.129 -1.938 1.00 0.00 C ATOM 792 C LEU A 51 6.445 -6.496 -2.665 1.00 0.00 C ATOM 793 O LEU A 51 5.589 -7.207 -3.187 1.00 0.00 O ATOM 794 CB LEU A 51 7.384 -7.196 -0.421 1.00 0.00 C ATOM 795 CG LEU A 51 8.476 -7.915 0.397 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.121 -7.852 1.884 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.641 -9.384 -0.003 1.00 0.00 C ATOM 0 H LEU A 51 9.324 -5.996 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 51 7.758 -8.140 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.276 -6.180 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.433 -7.702 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 51 9.417 -7.404 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.892 -8.360 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.057 -6.810 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.161 -8.341 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.422 -9.841 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.701 -9.912 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.917 -9.446 -1.056 1.00 0.00 H new ATOM 809 N ARG A 52 6.409 -5.160 -2.735 1.00 0.00 N ATOM 810 CA ARG A 52 5.364 -4.363 -3.384 1.00 0.00 C ATOM 811 C ARG A 52 5.399 -4.571 -4.905 1.00 0.00 C ATOM 812 O ARG A 52 4.362 -4.877 -5.505 1.00 0.00 O ATOM 813 CB ARG A 52 5.558 -2.895 -2.947 1.00 0.00 C ATOM 814 CG ARG A 52 4.296 -2.030 -2.966 1.00 0.00 C ATOM 815 CD ARG A 52 3.420 -2.162 -1.705 1.00 0.00 C ATOM 816 NE ARG A 52 2.748 -3.474 -1.598 1.00 0.00 N ATOM 817 CZ ARG A 52 2.557 -4.226 -0.522 1.00 0.00 C ATOM 818 NH1 ARG A 52 3.042 -3.896 0.654 1.00 0.00 N ATOM 819 NH2 ARG A 52 1.863 -5.336 -0.595 1.00 0.00 N ATOM 0 H ARG A 52 7.140 -4.581 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 52 4.366 -4.678 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.968 -2.886 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.302 -2.436 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.586 -0.986 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.700 -2.297 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.040 -2.005 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.667 -1.374 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 52 2.381 -3.853 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.584 -3.039 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.876 -4.497 1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.463 -5.630 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.723 -5.906 0.239 1.00 0.00 H new ATOM 833 N LYS A 53 6.594 -4.492 -5.522 1.00 0.00 N ATOM 834 CA LYS A 53 6.737 -4.787 -6.955 1.00 0.00 C ATOM 835 C LYS A 53 6.366 -6.248 -7.203 1.00 0.00 C ATOM 836 O LYS A 53 5.577 -6.517 -8.099 1.00 0.00 O ATOM 837 CB LYS A 53 8.116 -4.421 -7.556 1.00 0.00 C ATOM 838 CG LYS A 53 9.221 -5.494 -7.501 1.00 0.00 C ATOM 839 CD LYS A 53 10.492 -5.102 -8.269 1.00 0.00 C ATOM 840 CE LYS A 53 11.360 -6.330 -8.600 1.00 0.00 C ATOM 841 NZ LYS A 53 10.781 -7.182 -9.674 1.00 0.00 N ATOM 0 H LYS A 53 7.462 -4.230 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 53 6.045 -4.135 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.966 -4.145 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.483 -3.533 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.479 -5.685 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.832 -6.427 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.216 -4.592 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.072 -4.396 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.351 -5.995 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.489 -6.930 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.549 -7.595 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.218 -7.945 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.171 -6.603 -10.286 1.00 0.00 H new ATOM 855 N SER A 54 6.881 -7.166 -6.372 1.00 0.00 N ATOM 856 CA SER A 54 6.655 -8.603 -6.500 1.00 0.00 C ATOM 857 C SER A 54 5.176 -8.966 -6.418 1.00 0.00 C ATOM 858 O SER A 54 4.781 -9.916 -7.083 1.00 0.00 O ATOM 859 CB SER A 54 7.426 -9.389 -5.438 1.00 0.00 C ATOM 860 OG SER A 54 7.288 -10.774 -5.687 1.00 0.00 O ATOM 0 H SER A 54 7.476 -6.921 -5.580 1.00 0.00 H new ATOM 0 HA SER A 54 7.023 -8.878 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.479 -9.108 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.048 -9.147 -4.445 1.00 0.00 H new ATOM 0 HG SER A 54 7.783 -11.279 -5.008 1.00 0.00 H new ATOM 866 N GLU A 55 4.365 -8.248 -5.636 1.00 0.00 N ATOM 867 CA GLU A 55 2.914 -8.429 -5.616 1.00 0.00 C ATOM 868 C GLU A 55 2.276 -7.985 -6.949 1.00 0.00 C ATOM 869 O GLU A 55 1.514 -8.752 -7.538 1.00 0.00 O ATOM 870 CB GLU A 55 2.321 -7.641 -4.435 1.00 0.00 C ATOM 871 CG GLU A 55 0.963 -8.197 -3.977 1.00 0.00 C ATOM 872 CD GLU A 55 0.080 -7.181 -3.231 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.584 -6.107 -2.808 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.136 -7.464 -3.116 1.00 0.00 O ATOM 0 H GLU A 55 4.698 -7.524 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 55 2.692 -9.489 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.020 -7.665 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.204 -6.596 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.420 -8.561 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.136 -9.056 -3.328 1.00 0.00 H new ATOM 881 N LEU A 56 2.608 -6.786 -7.466 1.00 0.00 N ATOM 882 CA LEU A 56 2.118 -6.345 -8.792 1.00 0.00 C ATOM 883 C LEU A 56 2.518 -7.304 -9.913 1.00 0.00 C ATOM 884 O LEU A 56 1.716 -7.652 -10.775 1.00 0.00 O ATOM 885 CB LEU A 56 2.609 -4.931 -9.134 1.00 0.00 C ATOM 886 CG LEU A 56 2.018 -3.790 -8.288 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.769 -2.578 -9.180 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.678 -4.128 -7.639 1.00 0.00 C ATOM 0 H LEU A 56 3.207 -6.109 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 56 1.030 -6.340 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.694 -4.909 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.385 -4.733 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 56 2.747 -3.603 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.350 -1.767 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.710 -2.253 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.068 -2.846 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.328 -3.273 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.052 -4.365 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.800 -4.987 -6.979 1.00 0.00 H new ATOM 900 N GLU A 57 3.772 -7.722 -9.861 1.00 0.00 N ATOM 901 CA GLU A 57 4.429 -8.688 -10.741 1.00 0.00 C ATOM 902 C GLU A 57 3.749 -10.069 -10.668 1.00 0.00 C ATOM 903 O GLU A 57 3.473 -10.670 -11.707 1.00 0.00 O ATOM 904 CB GLU A 57 5.906 -8.686 -10.323 1.00 0.00 C ATOM 905 CG GLU A 57 6.937 -9.333 -11.245 1.00 0.00 C ATOM 906 CD GLU A 57 8.304 -8.724 -10.899 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.855 -9.003 -9.808 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.767 -7.822 -11.640 1.00 0.00 O ATOM 0 H GLU A 57 4.411 -7.370 -9.148 1.00 0.00 H new ATOM 0 HA GLU A 57 4.347 -8.420 -11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.204 -7.648 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.975 -9.181 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.952 -10.414 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.687 -9.149 -12.290 1.00 0.00 H new ATOM 915 N TYR A 58 3.385 -10.533 -9.464 1.00 0.00 N ATOM 916 CA TYR A 58 2.546 -11.715 -9.242 1.00 0.00 C ATOM 917 C TYR A 58 1.168 -11.564 -9.899 1.00 0.00 C ATOM 918 O TYR A 58 0.722 -12.463 -10.612 1.00 0.00 O ATOM 919 CB TYR A 58 2.407 -11.982 -7.736 1.00 0.00 C ATOM 920 CG TYR A 58 1.904 -13.362 -7.375 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.525 -13.628 -7.268 1.00 0.00 C ATOM 922 CD2 TYR A 58 2.843 -14.370 -7.094 1.00 0.00 C ATOM 923 CE1 TYR A 58 0.086 -14.910 -6.881 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.410 -15.659 -6.735 1.00 0.00 C ATOM 925 CZ TYR A 58 1.028 -15.932 -6.629 1.00 0.00 C ATOM 926 OH TYR A 58 0.614 -17.176 -6.269 1.00 0.00 O ATOM 0 H TYR A 58 3.675 -10.083 -8.596 1.00 0.00 H new ATOM 0 HA TYR A 58 3.033 -12.570 -9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.378 -11.831 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.728 -11.242 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.194 -12.851 -7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.899 -14.154 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.970 -15.111 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.132 -16.438 -6.541 1.00 0.00 H new ATOM 0 HH TYR A 58 1.394 -17.755 -6.136 1.00 0.00 H new ATOM 936 N TYR A 59 0.481 -10.430 -9.697 1.00 0.00 N ATOM 937 CA TYR A 59 -0.807 -10.209 -10.355 1.00 0.00 C ATOM 938 C TYR A 59 -0.687 -10.093 -11.881 1.00 0.00 C ATOM 939 O TYR A 59 -1.547 -10.626 -12.585 1.00 0.00 O ATOM 940 CB TYR A 59 -1.532 -8.989 -9.801 1.00 0.00 C ATOM 941 CG TYR A 59 -1.817 -8.974 -8.318 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.531 -10.029 -7.721 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.425 -7.863 -7.549 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.827 -9.986 -6.347 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.721 -7.819 -6.178 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.418 -8.885 -5.569 1.00 0.00 C ATOM 947 OH TYR A 59 -2.731 -8.836 -4.243 1.00 0.00 O ATOM 0 H TYR A 59 0.791 -9.667 -9.095 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.398 -11.098 -10.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.940 -8.106 -10.041 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.480 -8.890 -10.329 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.851 -10.871 -8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.896 -7.044 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.369 -10.799 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.415 -6.968 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.909 -8.751 -3.716 1.00 0.00 H new ATOM 957 N ALA A 60 0.355 -9.447 -12.417 1.00 0.00 N ATOM 958 CA ALA A 60 0.675 -9.457 -13.843 1.00 0.00 C ATOM 959 C ALA A 60 0.870 -10.891 -14.381 1.00 0.00 C ATOM 960 O ALA A 60 0.281 -11.258 -15.401 1.00 0.00 O ATOM 961 CB ALA A 60 1.909 -8.582 -14.085 1.00 0.00 C ATOM 0 H ALA A 60 1.008 -8.895 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.167 -9.043 -14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.154 -8.584 -15.147 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.700 -7.562 -13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.752 -8.976 -13.517 1.00 0.00 H new ATOM 967 N MET A 61 1.645 -11.717 -13.661 1.00 0.00 N ATOM 968 CA MET A 61 1.843 -13.145 -13.932 1.00 0.00 C ATOM 969 C MET A 61 0.525 -13.939 -13.913 1.00 0.00 C ATOM 970 O MET A 61 0.338 -14.811 -14.761 1.00 0.00 O ATOM 971 CB MET A 61 2.862 -13.707 -12.923 1.00 0.00 C ATOM 972 CG MET A 61 3.142 -15.205 -13.084 1.00 0.00 C ATOM 973 SD MET A 61 4.129 -15.926 -11.744 1.00 0.00 S ATOM 974 CE MET A 61 2.916 -15.921 -10.390 1.00 0.00 C ATOM 0 H MET A 61 2.168 -11.396 -12.846 1.00 0.00 H new ATOM 0 HA MET A 61 2.234 -13.255 -14.943 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.799 -13.160 -13.027 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.496 -13.523 -11.913 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.192 -15.736 -13.146 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.660 -15.367 -14.029 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.284 -16.537 -9.569 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.767 -14.900 -10.039 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.969 -16.323 -10.749 1.00 0.00 H new ATOM 984 N LEU A 62 -0.399 -13.662 -12.982 1.00 0.00 N ATOM 985 CA LEU A 62 -1.749 -14.245 -12.978 1.00 0.00 C ATOM 986 C LEU A 62 -2.571 -13.782 -14.198 1.00 0.00 C ATOM 987 O LEU A 62 -2.924 -14.594 -15.059 1.00 0.00 O ATOM 988 CB LEU A 62 -2.487 -13.890 -11.671 1.00 0.00 C ATOM 989 CG LEU A 62 -1.979 -14.583 -10.394 1.00 0.00 C ATOM 990 CD1 LEU A 62 -2.733 -13.988 -9.200 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.223 -16.092 -10.404 1.00 0.00 C ATOM 0 H LEU A 62 -0.230 -13.023 -12.205 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.640 -15.328 -13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.424 -12.812 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.542 -14.133 -11.796 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.903 -14.420 -10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.391 -14.463 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.543 -12.916 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.802 -14.161 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.845 -16.528 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.292 -16.287 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.706 -16.538 -11.254 1.00 0.00 H new ATOM 1003 N SER A 63 -2.878 -12.482 -14.244 1.00 0.00 N ATOM 1004 CA SER A 63 -3.805 -11.771 -15.139 1.00 0.00 C ATOM 1005 C SER A 63 -3.314 -11.645 -16.592 1.00 0.00 C ATOM 1006 O SER A 63 -3.422 -10.577 -17.201 1.00 0.00 O ATOM 1007 CB SER A 63 -4.092 -10.382 -14.539 1.00 0.00 C ATOM 1008 OG SER A 63 -2.913 -9.607 -14.431 1.00 0.00 O ATOM 0 H SER A 63 -2.440 -11.833 -13.590 1.00 0.00 H new ATOM 0 HA SER A 63 -4.715 -12.368 -15.203 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.816 -9.858 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.544 -10.497 -13.554 1.00 0.00 H new ATOM 0 HG SER A 63 -2.534 -9.711 -13.533 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.809 -12.731 -17.194 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.567 -12.777 -17.992 1.00 0.00 C ATOM 1016 C LYS A 64 -1.296 -11.453 -18.719 1.00 0.00 C ATOM 1017 O LYS A 64 -1.898 -11.147 -19.750 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.671 -13.925 -19.020 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.855 -15.330 -18.422 1.00 0.00 C ATOM 1020 CD LYS A 64 -0.545 -15.916 -17.880 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.819 -17.152 -17.013 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.306 -16.763 -15.669 1.00 0.00 N ATOM 0 H LYS A 64 -3.270 -13.639 -17.139 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.734 -12.948 -17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.509 -13.719 -19.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.770 -13.924 -19.633 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.589 -15.285 -17.618 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.258 -15.996 -19.185 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.109 -16.186 -18.709 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.020 -15.163 -17.292 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.559 -17.786 -17.502 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.093 -17.742 -16.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.659 -17.605 -15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.526 -16.340 -15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.076 -16.070 -15.766 1.00 0.00 H new ATOM 1036 N THR A 65 -0.465 -10.624 -18.085 1.00 0.00 N ATOM 1037 CA THR A 65 -0.282 -9.186 -18.325 1.00 0.00 C ATOM 1038 C THR A 65 1.211 -8.859 -18.401 1.00 0.00 C ATOM 1039 O THR A 65 2.001 -9.412 -17.636 1.00 0.00 O ATOM 1040 CB THR A 65 -0.979 -8.424 -17.176 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.368 -8.310 -17.405 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.461 -7.021 -16.890 1.00 0.00 C ATOM 0 H THR A 65 0.142 -10.960 -17.337 1.00 0.00 H new ATOM 0 HA THR A 65 -0.725 -8.885 -19.274 1.00 0.00 H new ATOM 0 HB THR A 65 -0.747 -9.040 -16.307 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.814 -9.138 -17.128 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.025 -6.586 -16.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.594 -7.070 -16.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.581 -6.401 -17.778 1.00 0.00 H new ATOM 1050 N LYS A 66 1.611 -7.934 -19.291 1.00 0.00 N ATOM 1051 CA LYS A 66 3.006 -7.470 -19.369 1.00 0.00 C ATOM 1052 C LYS A 66 3.307 -6.450 -18.260 1.00 0.00 C ATOM 1053 O LYS A 66 2.440 -5.677 -17.860 1.00 0.00 O ATOM 1054 CB LYS A 66 3.305 -6.900 -20.774 1.00 0.00 C ATOM 1055 CG LYS A 66 4.752 -6.380 -20.860 1.00 0.00 C ATOM 1056 CD LYS A 66 5.264 -6.069 -22.269 1.00 0.00 C ATOM 1057 CE LYS A 66 6.765 -5.733 -22.228 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.054 -4.456 -21.528 1.00 0.00 N ATOM 0 H LYS A 66 0.987 -7.493 -19.967 1.00 0.00 H new ATOM 0 HA LYS A 66 3.668 -8.321 -19.210 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.147 -7.673 -21.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.610 -6.091 -20.998 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.830 -5.475 -20.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.412 -7.121 -20.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.093 -6.924 -22.923 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.708 -5.231 -22.689 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.300 -6.543 -21.731 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.147 -5.677 -23.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.036 -4.170 -21.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.406 -3.718 -21.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.923 -4.584 -20.504 1.00 0.00 H new ATOM 1072 N VAL A 67 4.568 -6.409 -17.818 1.00 0.00 N ATOM 1073 CA VAL A 67 5.111 -5.411 -16.888 1.00 0.00 C ATOM 1074 C VAL A 67 6.013 -4.415 -17.636 1.00 0.00 C ATOM 1075 O VAL A 67 6.686 -4.760 -18.616 1.00 0.00 O ATOM 1076 CB VAL A 67 5.881 -6.122 -15.746 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.326 -5.153 -14.641 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.025 -7.214 -15.083 1.00 0.00 C ATOM 0 H VAL A 67 5.265 -7.095 -18.108 1.00 0.00 H new ATOM 0 HA VAL A 67 4.290 -4.846 -16.447 1.00 0.00 H new ATOM 0 HB VAL A 67 6.759 -6.559 -16.222 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.860 -5.704 -13.867 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.983 -4.394 -15.066 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.451 -4.672 -14.205 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.597 -7.691 -14.287 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.124 -6.766 -14.664 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.747 -7.960 -15.827 1.00 0.00 H new ATOM 1088 N TYR A 68 6.050 -3.173 -17.146 1.00 0.00 N ATOM 1089 CA TYR A 68 7.027 -2.157 -17.514 1.00 0.00 C ATOM 1090 C TYR A 68 7.494 -1.356 -16.285 1.00 0.00 C ATOM 1091 O TYR A 68 6.737 -0.581 -15.697 1.00 0.00 O ATOM 1092 CB TYR A 68 6.410 -1.256 -18.577 1.00 0.00 C ATOM 1093 CG TYR A 68 7.419 -0.316 -19.198 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.213 -0.749 -20.273 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.619 0.961 -18.646 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.220 0.087 -20.780 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.634 1.796 -19.141 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.455 1.352 -20.196 1.00 0.00 C ATOM 1099 OH TYR A 68 10.496 2.115 -20.623 1.00 0.00 O ATOM 0 H TYR A 68 5.374 -2.840 -16.458 1.00 0.00 H new ATOM 0 HA TYR A 68 7.918 -2.635 -17.922 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.965 -1.873 -19.358 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.603 -0.674 -18.132 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.049 -1.724 -20.709 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.989 1.302 -17.837 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.817 -0.238 -21.619 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.785 2.776 -18.714 1.00 0.00 H new ATOM 0 HH TYR A 68 10.515 2.955 -20.118 1.00 0.00 H new ATOM 1109 N TYR A 69 8.756 -1.548 -15.891 1.00 0.00 N ATOM 1110 CA TYR A 69 9.404 -0.747 -14.853 1.00 0.00 C ATOM 1111 C TYR A 69 9.880 0.595 -15.405 1.00 0.00 C ATOM 1112 O TYR A 69 10.556 0.650 -16.427 1.00 0.00 O ATOM 1113 CB TYR A 69 10.579 -1.528 -14.251 1.00 0.00 C ATOM 1114 CG TYR A 69 10.095 -2.633 -13.343 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.565 -2.290 -12.086 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.090 -3.974 -13.775 1.00 0.00 C ATOM 1117 CE1 TYR A 69 9.006 -3.282 -11.272 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.530 -4.973 -12.958 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.971 -4.623 -11.711 1.00 0.00 C ATOM 1120 OH TYR A 69 8.422 -5.572 -10.912 1.00 0.00 O ATOM 0 H TYR A 69 9.359 -2.269 -16.287 1.00 0.00 H new ATOM 0 HA TYR A 69 8.673 -0.542 -14.071 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.185 -1.952 -15.052 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.221 -0.849 -13.690 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.589 -1.264 -11.750 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.516 -4.235 -14.733 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.600 -3.021 -10.306 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.528 -6.003 -13.284 1.00 0.00 H new ATOM 0 HH TYR A 69 8.264 -6.387 -11.433 1.00 0.00 H new ATOM 1130 N PHE A 70 9.538 1.679 -14.705 1.00 0.00 N ATOM 1131 CA PHE A 70 9.846 3.049 -15.103 1.00 0.00 C ATOM 1132 C PHE A 70 10.206 3.899 -13.872 1.00 0.00 C ATOM 1133 O PHE A 70 9.794 5.049 -13.745 1.00 0.00 O ATOM 1134 CB PHE A 70 8.616 3.569 -15.850 1.00 0.00 C ATOM 1135 CG PHE A 70 8.738 4.876 -16.616 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.928 5.633 -16.661 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.603 5.327 -17.306 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.978 6.826 -17.406 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.650 6.526 -18.038 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.838 7.272 -18.094 1.00 0.00 C ATOM 0 H PHE A 70 9.027 1.624 -13.824 1.00 0.00 H new ATOM 0 HA PHE A 70 10.718 3.101 -15.755 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.305 2.798 -16.555 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.810 3.682 -15.125 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.802 5.296 -16.123 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.690 4.751 -17.275 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.893 7.398 -17.449 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.770 6.874 -18.559 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.875 8.188 -18.665 1.00 0.00 H new ATOM 1224 N LEU A 77 5.988 10.386 -15.957 1.00 0.00 N ATOM 1225 CA LEU A 77 4.771 9.720 -16.448 1.00 0.00 C ATOM 1226 C LEU A 77 3.489 10.462 -16.031 1.00 0.00 C ATOM 1227 O LEU A 77 2.456 10.314 -16.686 1.00 0.00 O ATOM 1228 CB LEU A 77 4.769 8.243 -16.004 1.00 0.00 C ATOM 1229 CG LEU A 77 3.635 7.388 -16.614 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.645 7.353 -18.148 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.754 5.944 -16.132 1.00 0.00 C ATOM 0 HA LEU A 77 4.780 9.748 -17.538 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.727 7.796 -16.271 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.691 8.204 -14.917 1.00 0.00 H new ATOM 0 HG LEU A 77 2.708 7.859 -16.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.821 6.734 -18.503 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.532 8.365 -18.536 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.589 6.935 -18.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.951 5.348 -16.566 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.717 5.536 -16.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.679 5.916 -15.045 1.00 0.00 H new ATOM 1243 N GLY A 78 3.567 11.344 -15.022 1.00 0.00 N ATOM 1244 CA GLY A 78 2.528 12.325 -14.712 1.00 0.00 C ATOM 1245 C GLY A 78 2.067 13.104 -15.944 1.00 0.00 C ATOM 1246 O GLY A 78 0.865 13.318 -16.106 1.00 0.00 O ATOM 0 H GLY A 78 4.368 11.392 -14.392 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.673 11.815 -14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.905 13.024 -13.965 1.00 0.00 H new ATOM 1250 N THR A 79 3.003 13.450 -16.839 1.00 0.00 N ATOM 1251 CA THR A 79 2.758 14.122 -18.127 1.00 0.00 C ATOM 1252 C THR A 79 1.639 13.440 -18.915 1.00 0.00 C ATOM 1253 O THR A 79 0.744 14.120 -19.420 1.00 0.00 O ATOM 1254 CB THR A 79 4.034 14.163 -18.989 1.00 0.00 C ATOM 1255 OG1 THR A 79 5.159 14.492 -18.208 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.934 15.198 -20.111 1.00 0.00 C ATOM 0 H THR A 79 3.993 13.262 -16.681 1.00 0.00 H new ATOM 0 HA THR A 79 2.452 15.142 -17.893 1.00 0.00 H new ATOM 0 HB THR A 79 4.141 13.167 -19.418 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.957 14.510 -18.776 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.855 15.193 -20.694 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.093 14.952 -20.759 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.782 16.188 -19.680 1.00 0.00 H new ATOM 1264 N ALA A 80 1.655 12.102 -18.968 1.00 0.00 N ATOM 1265 CA ALA A 80 0.553 11.292 -19.459 1.00 0.00 C ATOM 1266 C ALA A 80 -0.629 11.294 -18.479 1.00 0.00 C ATOM 1267 O ALA A 80 -1.700 11.813 -18.810 1.00 0.00 O ATOM 1268 CB ALA A 80 1.059 9.865 -19.729 1.00 0.00 C ATOM 0 H ALA A 80 2.455 11.549 -18.662 1.00 0.00 H new ATOM 0 HA ALA A 80 0.184 11.721 -20.390 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.237 9.251 -20.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.853 9.896 -20.476 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.446 9.435 -18.805 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.454 10.687 -17.300 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.573 10.128 -16.528 1.00 0.00 C ATOM 1276 C VAL A 81 -2.398 11.131 -15.719 1.00 0.00 C ATOM 1277 O VAL A 81 -3.534 10.807 -15.375 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.108 8.987 -15.604 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.444 7.861 -16.405 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.167 9.424 -14.477 1.00 0.00 C ATOM 0 H VAL A 81 0.457 10.569 -16.856 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.243 9.751 -17.300 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.022 8.629 -15.130 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.126 7.070 -15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.156 7.457 -17.124 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.423 8.254 -16.935 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.109 8.557 -13.877 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.731 9.870 -14.905 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.671 10.156 -13.846 1.00 0.00 H new ATOM 1405 N VAL A 89 2.124 4.515 -10.915 1.00 0.00 N ATOM 1406 CA VAL A 89 1.703 3.108 -10.900 1.00 0.00 C ATOM 1407 C VAL A 89 0.381 2.993 -11.678 1.00 0.00 C ATOM 1408 O VAL A 89 -0.650 3.534 -11.268 1.00 0.00 O ATOM 1409 CB VAL A 89 1.711 2.508 -9.479 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.493 2.832 -8.611 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.867 0.986 -9.563 1.00 0.00 C ATOM 0 HA VAL A 89 2.427 2.478 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 89 2.558 2.983 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.606 2.359 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.413 3.912 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.409 2.456 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.872 0.565 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.035 0.566 -10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.805 0.743 -10.063 1.00 0.00 H new ATOM 1421 N VAL A 90 0.452 2.377 -12.864 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.601 2.394 -13.895 1.00 0.00 C ATOM 1423 C VAL A 90 -0.924 0.968 -14.316 1.00 0.00 C ATOM 1424 O VAL A 90 -0.092 0.060 -14.215 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.170 3.191 -15.156 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.325 3.501 -16.126 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.552 4.503 -14.828 1.00 0.00 C ATOM 0 H VAL A 90 1.269 1.835 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.473 2.881 -13.460 1.00 0.00 H new ATOM 0 HB VAL A 90 0.525 2.512 -15.650 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.943 4.059 -16.980 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.770 2.568 -16.472 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.081 4.095 -15.613 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.825 5.009 -15.754 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.108 5.145 -14.244 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.452 4.289 -14.252 1.00 0.00 H new ATOM 1437 N SER A 91 -2.109 0.737 -14.875 1.00 0.00 N ATOM 1438 CA SER A 91 -2.319 -0.411 -15.753 1.00 0.00 C ATOM 1439 C SER A 91 -3.315 -0.082 -16.865 1.00 0.00 C ATOM 1440 O SER A 91 -4.137 0.822 -16.717 1.00 0.00 O ATOM 1441 CB SER A 91 -2.753 -1.619 -14.923 1.00 0.00 C ATOM 1442 OG SER A 91 -1.888 -1.790 -13.812 1.00 0.00 O ATOM 0 H SER A 91 -2.932 1.324 -14.738 1.00 0.00 H new ATOM 0 HA SER A 91 -1.380 -0.661 -16.247 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.777 -1.482 -14.577 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.743 -2.516 -15.542 1.00 0.00 H new ATOM 0 HG SER A 91 -1.014 -1.397 -14.015 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.235 -0.823 -17.972 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.086 -0.717 -19.157 1.00 0.00 C ATOM 1450 C ILE A 92 -4.843 -2.041 -19.322 1.00 0.00 C ATOM 1451 O ILE A 92 -4.246 -3.126 -19.310 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.258 -0.351 -20.414 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.353 0.892 -20.218 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.187 -0.150 -21.627 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -3.095 2.202 -19.940 1.00 0.00 C ATOM 0 H ILE A 92 -2.533 -1.556 -18.070 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.806 0.092 -19.031 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.589 -1.192 -20.596 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.670 0.697 -19.391 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.743 1.022 -21.112 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.591 0.107 -22.503 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.738 -1.071 -21.820 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.890 0.656 -21.417 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.374 3.010 -19.818 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.757 2.430 -20.775 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.683 2.100 -19.028 1.00 0.00 H new ATOM 1467 N LEU A 93 -6.172 -1.916 -19.429 1.00 0.00 N ATOM 1468 CA LEU A 93 -7.169 -2.984 -19.411 1.00 0.00 C ATOM 1469 C LEU A 93 -7.672 -3.317 -20.821 1.00 0.00 C ATOM 1470 O LEU A 93 -7.787 -4.492 -21.160 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.352 -2.580 -18.508 1.00 0.00 C ATOM 1472 CG LEU A 93 -8.027 -2.312 -17.023 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.586 -0.870 -16.746 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.283 -2.568 -16.184 1.00 0.00 C ATOM 0 H LEU A 93 -6.605 -0.999 -19.538 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.693 -3.879 -19.012 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.808 -1.682 -18.925 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.102 -3.369 -18.556 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.203 -2.977 -16.764 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.374 -0.752 -15.683 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.688 -0.647 -17.322 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.382 -0.184 -17.035 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.063 -2.381 -15.133 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.081 -1.902 -16.511 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.600 -3.603 -16.310 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.942 -2.293 -21.639 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.264 -2.414 -23.063 1.00 0.00 C ATOM 1488 C GLU A 94 -7.557 -1.302 -23.840 1.00 0.00 C ATOM 1489 O GLU A 94 -7.936 -0.130 -23.740 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.778 -2.345 -23.349 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.592 -3.574 -22.916 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.423 -3.315 -21.658 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.834 -3.128 -20.571 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.671 -3.344 -21.741 1.00 0.00 O ATOM 0 H GLU A 94 -7.942 -1.326 -21.316 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.919 -3.397 -23.384 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.185 -1.467 -22.847 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.921 -2.195 -24.419 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.254 -3.872 -23.729 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.915 -4.408 -22.734 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.557 -1.670 -24.651 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.961 -0.786 -25.654 1.00 0.00 C ATOM 1503 C ALA A 95 -6.916 -0.539 -26.843 1.00 0.00 C ATOM 1504 O ALA A 95 -6.561 -0.755 -28.000 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.602 -1.329 -26.100 1.00 0.00 C ATOM 0 H ALA A 95 -6.137 -2.599 -24.627 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.794 0.189 -25.195 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.171 -0.662 -26.846 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.935 -1.392 -25.240 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.731 -2.321 -26.532 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.128 -0.042 -26.567 1.00 0.00 N ATOM 1512 CA GLY A 96 -9.140 0.340 -27.561 1.00 0.00 C ATOM 1513 C GLY A 96 -8.791 1.615 -28.339 1.00 0.00 C ATOM 1514 O GLY A 96 -9.686 2.379 -28.683 1.00 0.00 O ATOM 0 H GLY A 96 -8.443 0.111 -25.609 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.271 -0.481 -28.266 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.096 0.483 -27.057 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.496 1.866 -28.558 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.939 3.103 -29.095 1.00 0.00 C ATOM 1520 C ASP A 97 -5.667 2.783 -29.907 1.00 0.00 C ATOM 1521 O ASP A 97 -5.772 2.391 -31.068 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.725 4.075 -27.919 1.00 0.00 C ATOM 1523 CG ASP A 97 -6.569 5.517 -28.383 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -5.621 5.814 -29.140 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.415 6.359 -27.987 1.00 0.00 O ATOM 0 H ASP A 97 -6.775 1.174 -28.354 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.613 3.595 -29.796 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.570 4.005 -27.234 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.837 3.777 -27.361 1.00 0.00 H new ATOM 1530 N SER A 98 -4.475 2.895 -29.303 1.00 0.00 N ATOM 1531 CA SER A 98 -3.203 2.410 -29.844 1.00 0.00 C ATOM 1532 C SER A 98 -2.663 1.191 -29.082 1.00 0.00 C ATOM 1533 O SER A 98 -2.859 0.992 -27.888 1.00 0.00 O ATOM 1534 CB SER A 98 -2.216 3.583 -29.933 1.00 0.00 C ATOM 1535 OG SER A 98 -0.884 3.290 -30.343 1.00 0.00 O ATOM 0 H SER A 98 -4.370 3.342 -28.392 1.00 0.00 H new ATOM 0 HA SER A 98 -3.361 2.033 -30.855 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.628 4.317 -30.625 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.170 4.059 -28.954 1.00 0.00 H new ATOM 0 HG SER A 98 -0.905 2.721 -31.141 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.869 0.433 -29.819 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.155 -0.828 -29.664 1.00 0.00 C ATOM 1543 C ASP A 99 -0.229 -1.013 -28.435 1.00 0.00 C ATOM 1544 O ASP A 99 0.606 -1.918 -28.462 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.352 -0.925 -30.987 1.00 0.00 C ATOM 1546 CG ASP A 99 0.427 0.372 -31.277 1.00 0.00 C ATOM 1547 OD1 ASP A 99 -0.214 1.372 -31.697 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.636 0.447 -30.952 1.00 0.00 O ATOM 0 H ASP A 99 -1.669 0.776 -30.758 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.879 -1.619 -29.471 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.344 -1.762 -30.930 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.034 -1.132 -31.812 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.345 -0.230 -27.346 1.00 0.00 N ATOM 1554 CA ILE A 100 0.633 -0.260 -26.232 1.00 0.00 C ATOM 1555 C ILE A 100 0.942 -1.683 -25.727 1.00 0.00 C ATOM 1556 O ILE A 100 2.103 -2.077 -25.690 1.00 0.00 O ATOM 1557 CB ILE A 100 0.264 0.711 -25.081 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.529 1.047 -24.268 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.800 0.181 -24.106 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.344 2.142 -23.217 1.00 0.00 C ATOM 0 H ILE A 100 -1.107 0.434 -27.210 1.00 0.00 H new ATOM 0 HA ILE A 100 1.565 0.110 -26.658 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.163 1.587 -25.569 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.876 0.141 -23.771 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.316 1.354 -24.957 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.992 0.928 -23.336 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.722 -0.025 -24.650 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.441 -0.736 -23.639 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.287 2.309 -22.696 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.030 3.065 -23.705 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.583 1.833 -22.500 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.086 -2.479 -25.418 1.00 0.00 N ATOM 1573 CA LEU A 101 0.019 -3.882 -25.004 1.00 0.00 C ATOM 1574 C LEU A 101 0.608 -4.875 -26.027 1.00 0.00 C ATOM 1575 O LEU A 101 0.934 -5.988 -25.620 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.254 -4.386 -24.280 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.612 -3.744 -24.638 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -3.734 -4.718 -24.987 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.039 -2.930 -23.409 1.00 0.00 C ATOM 0 H LEU A 101 -1.051 -2.151 -25.451 1.00 0.00 H new ATOM 0 HA LEU A 101 0.815 -3.863 -24.260 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.336 -5.457 -24.463 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.099 -4.256 -23.209 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.461 -3.155 -25.543 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.640 -4.160 -25.221 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.442 -5.315 -25.851 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.922 -5.376 -24.138 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.998 -2.451 -23.605 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.134 -3.593 -22.549 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.289 -2.168 -23.199 1.00 0.00 H new