USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 17 THR OG1 : rot 131:sc= -0.585 USER MOD Set 1.2: A 20 SER OG : rot 119:sc= 0.884 USER MOD Single : A 12 CYS SG : rot 70:sc= -3.4! USER MOD Single : A 13 HIS : no HD1:sc= -0.636 K(o=-0.64,f=0.14) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-2.5!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -49:sc= 0.558 USER MOD Single : A 30 SER OG : rot -86:sc= 1.59 USER MOD Single : A 33 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.018) USER MOD Single : A 37 LYS NZ :NH3+ 131:sc= -2.2 (180deg=-4.3!) USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= -0.159 (180deg=-6.18!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.0127 (180deg=-0.902) USER MOD Single : A 62 HIS : no HE2:sc= 0.109 K(o=0.11,f=-0.45) USER MOD Single : A 65 GLN : amide:sc= -0.913 K(o=-0.91,f=-0.18) USER MOD Single : A 67 ASN : amide:sc= -5.34! C(o=-5.3!,f=-6.1!) USER MOD Single : A 82 TYR OH : rot -101:sc= 0.185 USER MOD Single : A 84 TYR OH : rot -15:sc= -1.11 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.187 -15.686 -2.235 1.00 0.00 N ATOM 97 CA ILE A 10 -4.027 -14.829 -2.410 1.00 0.00 C ATOM 98 C ILE A 10 -4.118 -13.651 -1.438 1.00 0.00 C ATOM 99 O ILE A 10 -5.198 -13.330 -0.944 1.00 0.00 O ATOM 100 CB ILE A 10 -3.888 -14.409 -3.875 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.416 -14.331 -4.285 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.628 -13.097 -4.141 1.00 0.00 C ATOM 103 CD1 ILE A 10 -2.040 -15.496 -5.203 1.00 0.00 C ATOM 0 HA ILE A 10 -3.112 -15.371 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.355 -15.173 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.226 -13.386 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.786 -14.346 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.514 -12.821 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.686 -13.223 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.212 -12.311 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.989 -15.417 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.208 -16.439 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.655 -15.464 -6.102 1.00 0.00 H new ATOM 115 N PHE A 11 -2.969 -13.037 -1.193 1.00 0.00 N ATOM 116 CA PHE A 11 -2.905 -11.902 -0.289 1.00 0.00 C ATOM 117 C PHE A 11 -2.139 -10.739 -0.924 1.00 0.00 C ATOM 118 O PHE A 11 -1.164 -10.952 -1.642 1.00 0.00 O ATOM 119 CB PHE A 11 -2.158 -12.367 0.962 1.00 0.00 C ATOM 120 CG PHE A 11 -3.068 -12.922 2.060 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.680 -12.073 2.928 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.263 -14.263 2.167 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.524 -12.588 3.947 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.108 -14.778 3.187 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.720 -13.929 4.055 1.00 0.00 C ATOM 0 H PHE A 11 -2.075 -13.305 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.912 -11.555 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.438 -13.135 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.589 -11.529 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.524 -11.008 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.776 -14.937 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.011 -11.914 4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.264 -15.843 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.362 -14.320 4.830 1.00 0.00 H new ATOM 135 N CYS A 12 -2.610 -9.534 -0.635 1.00 0.00 N ATOM 136 CA CYS A 12 -1.982 -8.338 -1.168 1.00 0.00 C ATOM 137 C CYS A 12 -1.244 -7.634 -0.028 1.00 0.00 C ATOM 138 O CYS A 12 -1.864 -6.973 0.803 1.00 0.00 O ATOM 139 CB CYS A 12 -3.000 -7.417 -1.843 1.00 0.00 C ATOM 140 SG CYS A 12 -2.170 -5.902 -2.448 1.00 0.00 S ATOM 0 H CYS A 12 -3.419 -9.361 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.269 -8.614 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.478 -7.936 -2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.788 -7.153 -1.137 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.402 -6.200 -3.454 1.00 0.00 H new ATOM 146 N HIS A 13 0.071 -7.800 -0.025 1.00 0.00 N ATOM 147 CA HIS A 13 0.900 -7.190 1.000 1.00 0.00 C ATOM 148 C HIS A 13 1.007 -5.685 0.744 1.00 0.00 C ATOM 149 O HIS A 13 1.506 -5.262 -0.297 1.00 0.00 O ATOM 150 CB HIS A 13 2.265 -7.876 1.075 1.00 0.00 C ATOM 151 CG HIS A 13 2.250 -9.195 1.810 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.587 -10.394 1.206 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.936 -9.490 3.104 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.477 -11.361 2.106 1.00 0.00 C ATOM 155 NE2 HIS A 13 2.072 -10.799 3.281 1.00 0.00 N ATOM 0 H HIS A 13 0.582 -8.348 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 13 0.436 -7.326 1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.634 -8.040 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.970 -7.206 1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.629 -8.779 3.857 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.674 -12.410 1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.902 -11.301 4.152 1.00 0.00 H new ATOM 163 N VAL A 14 0.529 -4.917 1.713 1.00 0.00 N ATOM 164 CA VAL A 14 0.564 -3.469 1.606 1.00 0.00 C ATOM 165 C VAL A 14 1.404 -2.897 2.750 1.00 0.00 C ATOM 166 O VAL A 14 0.941 -2.820 3.887 1.00 0.00 O ATOM 167 CB VAL A 14 -0.861 -2.912 1.575 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.910 -1.500 2.162 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.427 -2.935 0.153 1.00 0.00 C ATOM 0 H VAL A 14 0.116 -5.271 2.576 1.00 0.00 H new ATOM 0 HA VAL A 14 1.038 -3.167 0.672 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.486 -3.554 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.934 -1.127 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.566 -1.524 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.265 -0.842 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.441 -2.534 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.800 -2.327 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.445 -3.961 -0.215 1.00 0.00 H new ATOM 179 N TYR A 15 2.625 -2.512 2.410 1.00 0.00 N ATOM 180 CA TYR A 15 3.534 -1.950 3.394 1.00 0.00 C ATOM 181 C TYR A 15 3.181 -0.492 3.697 1.00 0.00 C ATOM 182 O TYR A 15 3.057 0.323 2.784 1.00 0.00 O ATOM 183 CB TYR A 15 4.926 -2.004 2.762 1.00 0.00 C ATOM 184 CG TYR A 15 5.622 -3.359 2.905 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.896 -4.525 2.777 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.977 -3.415 3.163 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.551 -5.800 2.912 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.632 -4.690 3.298 1.00 0.00 C ATOM 189 CZ TYR A 15 6.887 -5.820 3.166 1.00 0.00 C ATOM 190 OH TYR A 15 7.505 -7.024 3.294 1.00 0.00 O ATOM 0 H TYR A 15 3.006 -2.578 1.466 1.00 0.00 H new ATOM 0 HA TYR A 15 3.478 -2.506 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.843 -1.760 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.551 -1.236 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.836 -4.481 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.546 -2.502 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.994 -6.720 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.691 -4.748 3.500 1.00 0.00 H new ATOM 0 HH TYR A 15 8.458 -6.885 3.473 1.00 0.00 H new ATOM 200 N ILE A 16 3.029 -0.208 4.982 1.00 0.00 N ATOM 201 CA ILE A 16 2.693 1.137 5.417 1.00 0.00 C ATOM 202 C ILE A 16 3.979 1.943 5.608 1.00 0.00 C ATOM 203 O ILE A 16 4.135 3.017 5.028 1.00 0.00 O ATOM 204 CB ILE A 16 1.806 1.091 6.663 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.653 0.101 6.479 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.307 2.489 7.032 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.117 -0.373 7.831 1.00 0.00 C ATOM 0 H ILE A 16 3.132 -0.887 5.736 1.00 0.00 H new ATOM 0 HA ILE A 16 2.106 1.648 4.654 1.00 0.00 H new ATOM 0 HB ILE A 16 2.408 0.733 7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.149 0.573 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.994 -0.756 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.679 2.428 7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.159 3.138 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.727 2.898 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.701 -1.075 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.915 -0.865 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.245 0.484 8.399 1.00 0.00 H new ATOM 219 N THR A 17 4.868 1.394 6.422 1.00 0.00 N ATOM 220 CA THR A 17 6.136 2.049 6.697 1.00 0.00 C ATOM 221 C THR A 17 7.300 1.188 6.201 1.00 0.00 C ATOM 222 O THR A 17 7.223 0.594 5.126 1.00 0.00 O ATOM 223 CB THR A 17 6.199 2.349 8.195 1.00 0.00 C ATOM 224 OG1 THR A 17 6.419 1.076 8.796 1.00 0.00 O ATOM 225 CG2 THR A 17 4.849 2.799 8.759 1.00 0.00 C ATOM 0 H THR A 17 4.736 0.503 6.900 1.00 0.00 H new ATOM 0 HA THR A 17 6.218 2.993 6.158 1.00 0.00 H new ATOM 0 HB THR A 17 6.946 3.122 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.161 1.139 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.949 2.999 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.525 3.706 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.110 2.013 8.605 1.00 0.00 H new ATOM 233 N GLU A 18 8.349 1.146 7.008 1.00 0.00 N ATOM 234 CA GLU A 18 9.527 0.368 6.664 1.00 0.00 C ATOM 235 C GLU A 18 9.350 -1.086 7.109 1.00 0.00 C ATOM 236 O GLU A 18 9.689 -2.010 6.371 1.00 0.00 O ATOM 237 CB GLU A 18 10.787 0.980 7.279 1.00 0.00 C ATOM 238 CG GLU A 18 10.762 0.870 8.805 1.00 0.00 C ATOM 239 CD GLU A 18 11.802 1.796 9.439 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.991 1.412 9.419 1.00 0.00 O ATOM 241 OE2 GLU A 18 11.384 2.868 9.928 1.00 0.00 O ATOM 0 H GLU A 18 8.408 1.638 7.899 1.00 0.00 H new ATOM 0 HA GLU A 18 9.647 0.385 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.669 0.473 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.866 2.027 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.769 1.125 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.958 -0.160 9.102 1.00 0.00 H new ATOM 248 N HIS A 19 8.820 -1.243 8.313 1.00 0.00 N ATOM 249 CA HIS A 19 8.594 -2.568 8.864 1.00 0.00 C ATOM 250 C HIS A 19 7.131 -2.705 9.287 1.00 0.00 C ATOM 251 O HIS A 19 6.827 -3.362 10.282 1.00 0.00 O ATOM 252 CB HIS A 19 9.571 -2.855 10.006 1.00 0.00 C ATOM 253 CG HIS A 19 11.002 -2.481 9.699 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.872 -1.995 10.659 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.704 -2.528 8.531 1.00 0.00 C ATOM 256 CE1 HIS A 19 13.042 -1.762 10.083 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.936 -2.093 8.764 1.00 0.00 N ATOM 0 H HIS A 19 8.541 -0.474 8.922 1.00 0.00 H new ATOM 0 HA HIS A 19 8.787 -3.321 8.100 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.247 -2.311 10.893 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.528 -3.917 10.249 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.322 -2.863 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.925 -1.377 10.572 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.681 -2.018 8.071 1.00 0.00 H new ATOM 265 N SER A 20 6.262 -2.075 8.511 1.00 0.00 N ATOM 266 CA SER A 20 4.837 -2.118 8.793 1.00 0.00 C ATOM 267 C SER A 20 4.057 -2.402 7.507 1.00 0.00 C ATOM 268 O SER A 20 4.431 -1.932 6.434 1.00 0.00 O ATOM 269 CB SER A 20 4.360 -0.809 9.424 1.00 0.00 C ATOM 270 OG SER A 20 5.288 -0.311 10.385 1.00 0.00 O ATOM 0 H SER A 20 6.517 -1.531 7.686 1.00 0.00 H new ATOM 0 HA SER A 20 4.654 -2.921 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.211 -0.063 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.393 -0.968 9.902 1.00 0.00 H new ATOM 0 HG SER A 20 5.609 0.571 10.103 1.00 0.00 H new ATOM 276 N TYR A 21 2.988 -3.170 7.658 1.00 0.00 N ATOM 277 CA TYR A 21 2.153 -3.521 6.523 1.00 0.00 C ATOM 278 C TYR A 21 0.759 -3.955 6.981 1.00 0.00 C ATOM 279 O TYR A 21 0.462 -3.942 8.175 1.00 0.00 O ATOM 280 CB TYR A 21 2.843 -4.705 5.842 1.00 0.00 C ATOM 281 CG TYR A 21 2.547 -6.057 6.494 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.843 -6.261 7.826 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.983 -7.073 5.749 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.564 -7.534 8.439 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.704 -8.346 6.362 1.00 0.00 C ATOM 286 CZ TYR A 21 2.009 -8.513 7.677 1.00 0.00 C ATOM 287 OH TYR A 21 1.745 -9.715 8.256 1.00 0.00 O ATOM 0 H TYR A 21 2.681 -3.559 8.550 1.00 0.00 H new ATOM 0 HA TYR A 21 2.033 -2.667 5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.533 -4.741 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.920 -4.538 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.284 -5.466 8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.751 -6.913 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.791 -7.707 9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.263 -9.149 5.791 1.00 0.00 H new ATOM 0 HH TYR A 21 1.349 -10.318 7.593 1.00 0.00 H new ATOM 297 N VAL A 22 -0.060 -4.327 6.008 1.00 0.00 N ATOM 298 CA VAL A 22 -1.415 -4.763 6.297 1.00 0.00 C ATOM 299 C VAL A 22 -1.802 -5.886 5.332 1.00 0.00 C ATOM 300 O VAL A 22 -1.769 -5.702 4.116 1.00 0.00 O ATOM 301 CB VAL A 22 -2.372 -3.570 6.240 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.178 -2.773 4.949 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.825 -4.025 6.390 1.00 0.00 C ATOM 0 H VAL A 22 0.189 -4.335 5.019 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.479 -5.166 7.308 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.138 -2.913 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.870 -1.931 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.154 -2.402 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.371 -3.417 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.484 -3.158 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.076 -4.713 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.951 -4.529 7.348 1.00 0.00 H new ATOM 313 N SER A 23 -2.158 -7.023 5.910 1.00 0.00 N ATOM 314 CA SER A 23 -2.550 -8.176 5.116 1.00 0.00 C ATOM 315 C SER A 23 -3.954 -7.965 4.546 1.00 0.00 C ATOM 316 O SER A 23 -4.887 -7.649 5.283 1.00 0.00 O ATOM 317 CB SER A 23 -2.502 -9.459 5.947 1.00 0.00 C ATOM 318 OG SER A 23 -3.705 -9.664 6.683 1.00 0.00 O ATOM 0 H SER A 23 -2.183 -7.171 6.919 1.00 0.00 H new ATOM 0 HA SER A 23 -1.843 -8.282 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.330 -10.311 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.659 -9.413 6.636 1.00 0.00 H new ATOM 0 HG SER A 23 -3.635 -10.494 7.199 1.00 0.00 H new ATOM 324 N VAL A 24 -4.061 -8.148 3.238 1.00 0.00 N ATOM 325 CA VAL A 24 -5.336 -7.983 2.561 1.00 0.00 C ATOM 326 C VAL A 24 -5.606 -9.207 1.684 1.00 0.00 C ATOM 327 O VAL A 24 -4.803 -9.542 0.815 1.00 0.00 O ATOM 328 CB VAL A 24 -5.343 -6.671 1.773 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.660 -6.493 1.016 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.074 -5.478 2.693 1.00 0.00 C ATOM 0 H VAL A 24 -3.285 -8.409 2.629 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.147 -7.917 3.286 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.538 -6.717 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.639 -5.553 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.793 -7.320 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.488 -6.479 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.084 -4.558 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.846 -5.429 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.099 -5.596 3.166 1.00 0.00 H new ATOM 340 N LYS A 25 -6.739 -9.842 1.944 1.00 0.00 N ATOM 341 CA LYS A 25 -7.125 -11.023 1.189 1.00 0.00 C ATOM 342 C LYS A 25 -7.992 -10.602 0.001 1.00 0.00 C ATOM 343 O LYS A 25 -9.191 -10.374 0.152 1.00 0.00 O ATOM 344 CB LYS A 25 -7.795 -12.049 2.106 1.00 0.00 C ATOM 345 CG LYS A 25 -7.679 -13.460 1.526 1.00 0.00 C ATOM 346 CD LYS A 25 -8.222 -14.502 2.506 1.00 0.00 C ATOM 347 CE LYS A 25 -7.523 -15.850 2.316 1.00 0.00 C ATOM 348 NZ LYS A 25 -8.498 -16.885 1.905 1.00 0.00 N ATOM 0 H LYS A 25 -7.402 -9.562 2.666 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.245 -11.520 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.332 -12.018 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.846 -11.792 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.229 -13.517 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.636 -13.679 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.078 -14.154 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.295 -14.621 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.741 -15.758 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.036 -16.148 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.008 -17.794 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.229 -16.984 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.943 -16.606 1.008 1.00 0.00 H new ATOM 362 N ALA A 26 -7.351 -10.513 -1.156 1.00 0.00 N ATOM 363 CA ALA A 26 -8.048 -10.124 -2.370 1.00 0.00 C ATOM 364 C ALA A 26 -8.098 -11.316 -3.328 1.00 0.00 C ATOM 365 O ALA A 26 -7.596 -12.393 -3.011 1.00 0.00 O ATOM 366 CB ALA A 26 -7.357 -8.908 -2.988 1.00 0.00 C ATOM 0 H ALA A 26 -6.356 -10.704 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.076 -9.836 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.880 -8.616 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.374 -8.080 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.324 -9.159 -3.228 1.00 0.00 H new ATOM 372 N LYS A 27 -8.710 -11.083 -4.480 1.00 0.00 N ATOM 373 CA LYS A 27 -8.832 -12.123 -5.486 1.00 0.00 C ATOM 374 C LYS A 27 -7.539 -12.195 -6.300 1.00 0.00 C ATOM 375 O LYS A 27 -6.628 -11.394 -6.096 1.00 0.00 O ATOM 376 CB LYS A 27 -10.084 -11.901 -6.338 1.00 0.00 C ATOM 377 CG LYS A 27 -11.323 -11.727 -5.458 1.00 0.00 C ATOM 378 CD LYS A 27 -12.004 -13.073 -5.199 1.00 0.00 C ATOM 379 CE LYS A 27 -13.127 -12.930 -4.170 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.724 -14.250 -3.868 1.00 0.00 N ATOM 0 H LYS A 27 -9.127 -10.189 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.965 -13.096 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.951 -11.018 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.226 -12.748 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.039 -11.270 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.025 -11.047 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.409 -13.465 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.269 -13.794 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.736 -12.483 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.894 -12.256 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.485 -14.135 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.115 -14.662 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.993 -14.882 -3.484 1.00 0.00 H new ATOM 394 N VAL A 28 -7.500 -13.161 -7.206 1.00 0.00 N ATOM 395 CA VAL A 28 -6.333 -13.347 -8.052 1.00 0.00 C ATOM 396 C VAL A 28 -6.294 -12.243 -9.111 1.00 0.00 C ATOM 397 O VAL A 28 -5.248 -11.980 -9.702 1.00 0.00 O ATOM 398 CB VAL A 28 -6.343 -14.753 -8.655 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.469 -15.817 -7.563 1.00 0.00 C ATOM 400 CG2 VAL A 28 -7.458 -14.897 -9.692 1.00 0.00 C ATOM 0 H VAL A 28 -8.258 -13.823 -7.373 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.419 -13.266 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.391 -14.906 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.474 -16.807 -8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.625 -15.737 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.398 -15.666 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.443 -15.906 -10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.422 -14.714 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.305 -14.174 -10.494 1.00 0.00 H new ATOM 410 N SER A 29 -7.448 -11.625 -9.318 1.00 0.00 N ATOM 411 CA SER A 29 -7.560 -10.556 -10.295 1.00 0.00 C ATOM 412 C SER A 29 -8.042 -9.273 -9.614 1.00 0.00 C ATOM 413 O SER A 29 -8.483 -8.339 -10.283 1.00 0.00 O ATOM 414 CB SER A 29 -8.509 -10.943 -11.430 1.00 0.00 C ATOM 415 OG SER A 29 -8.537 -9.961 -12.462 1.00 0.00 O ATOM 0 H SER A 29 -8.314 -11.845 -8.825 1.00 0.00 H new ATOM 0 HA SER A 29 -6.574 -10.383 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.201 -11.901 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.514 -11.078 -11.031 1.00 0.00 H new ATOM 0 HG SER A 29 -8.674 -9.075 -12.067 1.00 0.00 H new ATOM 421 N SER A 30 -7.941 -9.269 -8.293 1.00 0.00 N ATOM 422 CA SER A 30 -8.362 -8.116 -7.515 1.00 0.00 C ATOM 423 C SER A 30 -7.521 -6.895 -7.892 1.00 0.00 C ATOM 424 O SER A 30 -6.330 -7.019 -8.172 1.00 0.00 O ATOM 425 CB SER A 30 -8.250 -8.394 -6.014 1.00 0.00 C ATOM 426 OG SER A 30 -9.491 -8.818 -5.456 1.00 0.00 O ATOM 0 H SER A 30 -7.574 -10.045 -7.742 1.00 0.00 H new ATOM 0 HA SER A 30 -9.408 -7.913 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.495 -9.161 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.911 -7.493 -5.503 1.00 0.00 H new ATOM 0 HG SER A 30 -10.025 -8.033 -5.211 1.00 0.00 H new ATOM 432 N ILE A 31 -8.174 -5.742 -7.888 1.00 0.00 N ATOM 433 CA ILE A 31 -7.502 -4.499 -8.226 1.00 0.00 C ATOM 434 C ILE A 31 -6.893 -3.893 -6.960 1.00 0.00 C ATOM 435 O ILE A 31 -7.247 -4.283 -5.849 1.00 0.00 O ATOM 436 CB ILE A 31 -8.456 -3.557 -8.962 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.794 -3.447 -8.227 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.637 -3.988 -10.419 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.556 -2.193 -8.660 1.00 0.00 C ATOM 0 H ILE A 31 -9.162 -5.643 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.680 -4.686 -8.917 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.012 -2.562 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.398 -4.332 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.621 -3.418 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.320 -3.301 -10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.672 -3.973 -10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.048 -4.997 -10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.503 -2.139 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.960 -1.309 -8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.749 -2.236 -9.732 1.00 0.00 H new ATOM 451 N ALA A 32 -5.988 -2.948 -7.171 1.00 0.00 N ATOM 452 CA ALA A 32 -5.327 -2.284 -6.061 1.00 0.00 C ATOM 453 C ALA A 32 -6.380 -1.636 -5.160 1.00 0.00 C ATOM 454 O ALA A 32 -6.264 -1.675 -3.936 1.00 0.00 O ATOM 455 CB ALA A 32 -4.317 -1.269 -6.601 1.00 0.00 C ATOM 0 H ALA A 32 -5.697 -2.627 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.774 -3.004 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.821 -0.771 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.574 -1.784 -7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.836 -0.528 -7.210 1.00 0.00 H new ATOM 461 N GLN A 33 -7.384 -1.055 -5.800 1.00 0.00 N ATOM 462 CA GLN A 33 -8.457 -0.399 -5.072 1.00 0.00 C ATOM 463 C GLN A 33 -9.069 -1.359 -4.051 1.00 0.00 C ATOM 464 O GLN A 33 -9.374 -0.964 -2.927 1.00 0.00 O ATOM 465 CB GLN A 33 -9.523 0.136 -6.031 1.00 0.00 C ATOM 466 CG GLN A 33 -10.788 0.541 -5.272 1.00 0.00 C ATOM 467 CD GLN A 33 -11.102 2.024 -5.481 1.00 0.00 C ATOM 468 OE1 GLN A 33 -12.113 2.396 -6.055 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.182 2.847 -4.986 1.00 0.00 N ATOM 0 H GLN A 33 -7.477 -1.025 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.039 0.453 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.130 0.995 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.767 -0.626 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.629 -0.064 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.659 0.339 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.359 2.469 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.299 3.856 -5.075 1.00 0.00 H new ATOM 478 N GLU A 34 -9.232 -2.602 -4.479 1.00 0.00 N ATOM 479 CA GLU A 34 -9.803 -3.622 -3.616 1.00 0.00 C ATOM 480 C GLU A 34 -8.952 -3.788 -2.355 1.00 0.00 C ATOM 481 O GLU A 34 -9.395 -4.389 -1.378 1.00 0.00 O ATOM 482 CB GLU A 34 -9.948 -4.951 -4.359 1.00 0.00 C ATOM 483 CG GLU A 34 -11.156 -4.927 -5.297 1.00 0.00 C ATOM 484 CD GLU A 34 -11.243 -6.218 -6.113 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.492 -7.270 -5.485 1.00 0.00 O ATOM 486 OE2 GLU A 34 -11.060 -6.124 -7.346 1.00 0.00 O ATOM 0 H GLU A 34 -8.979 -2.926 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.801 -3.300 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.043 -5.152 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.057 -5.763 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.069 -4.798 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.082 -4.072 -5.969 1.00 0.00 H new ATOM 493 N ILE A 35 -7.745 -3.245 -2.419 1.00 0.00 N ATOM 494 CA ILE A 35 -6.828 -3.325 -1.295 1.00 0.00 C ATOM 495 C ILE A 35 -6.794 -1.977 -0.572 1.00 0.00 C ATOM 496 O ILE A 35 -6.903 -1.922 0.652 1.00 0.00 O ATOM 497 CB ILE A 35 -5.453 -3.808 -1.759 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.585 -4.881 -2.843 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.612 -4.290 -0.575 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.322 -6.111 -2.309 1.00 0.00 C ATOM 0 H ILE A 35 -7.381 -2.748 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.174 -4.065 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.927 -2.963 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.122 -4.474 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.595 -5.170 -3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.640 -4.628 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.474 -3.471 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.122 -5.115 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.402 -6.858 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.769 -6.530 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.320 -5.822 -1.979 1.00 0.00 H new ATOM 512 N LEU A 36 -6.643 -0.923 -1.360 1.00 0.00 N ATOM 513 CA LEU A 36 -6.594 0.421 -0.810 1.00 0.00 C ATOM 514 C LEU A 36 -7.874 0.691 -0.018 1.00 0.00 C ATOM 515 O LEU A 36 -7.834 1.317 1.040 1.00 0.00 O ATOM 516 CB LEU A 36 -6.329 1.444 -1.918 1.00 0.00 C ATOM 517 CG LEU A 36 -6.019 2.869 -1.455 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.561 2.996 -1.011 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.380 3.888 -2.538 1.00 0.00 C ATOM 0 H LEU A 36 -6.553 -0.972 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.762 0.517 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.493 1.089 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.201 1.477 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.640 3.089 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.367 4.018 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.371 2.311 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.904 2.749 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.150 4.893 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.804 3.680 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.444 3.818 -2.764 1.00 0.00 H new ATOM 531 N LYS A 37 -8.981 0.205 -0.560 1.00 0.00 N ATOM 532 CA LYS A 37 -10.272 0.386 0.083 1.00 0.00 C ATOM 533 C LYS A 37 -10.275 -0.350 1.425 1.00 0.00 C ATOM 534 O LYS A 37 -10.955 0.065 2.362 1.00 0.00 O ATOM 535 CB LYS A 37 -11.402 -0.041 -0.855 1.00 0.00 C ATOM 536 CG LYS A 37 -11.319 -1.536 -1.170 1.00 0.00 C ATOM 537 CD LYS A 37 -12.444 -2.306 -0.474 1.00 0.00 C ATOM 538 CE LYS A 37 -12.456 -3.773 -0.911 1.00 0.00 C ATOM 539 NZ LYS A 37 -12.841 -3.886 -2.335 1.00 0.00 N ATOM 0 H LYS A 37 -9.011 -0.314 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.448 1.440 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.365 0.185 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.348 0.533 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.382 -1.688 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.353 -1.926 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.316 -2.246 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.404 -1.845 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.470 -4.212 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.155 -4.337 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.163 -4.499 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.794 -4.296 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.837 -2.942 -2.772 1.00 0.00 H new ATOM 553 N VAL A 38 -9.508 -1.429 1.474 1.00 0.00 N ATOM 554 CA VAL A 38 -9.414 -2.225 2.685 1.00 0.00 C ATOM 555 C VAL A 38 -8.360 -1.616 3.611 1.00 0.00 C ATOM 556 O VAL A 38 -8.633 -1.353 4.782 1.00 0.00 O ATOM 557 CB VAL A 38 -9.125 -3.685 2.330 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.301 -4.592 3.550 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.005 -4.152 1.169 1.00 0.00 C ATOM 0 H VAL A 38 -8.946 -1.770 0.694 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.362 -2.216 3.222 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.085 -3.752 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.090 -5.624 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.613 -4.281 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.326 -4.518 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.779 -5.193 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.055 -4.062 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.809 -3.534 0.293 1.00 0.00 H new ATOM 569 N VAL A 39 -7.176 -1.407 3.053 1.00 0.00 N ATOM 570 CA VAL A 39 -6.080 -0.833 3.814 1.00 0.00 C ATOM 571 C VAL A 39 -6.530 0.495 4.425 1.00 0.00 C ATOM 572 O VAL A 39 -6.398 0.704 5.630 1.00 0.00 O ATOM 573 CB VAL A 39 -4.843 -0.693 2.925 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.673 -0.089 3.705 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.455 -2.039 2.310 1.00 0.00 C ATOM 0 H VAL A 39 -6.952 -1.625 2.082 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.800 -1.491 4.637 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.091 -0.012 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.806 -0.000 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.952 0.898 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.426 -0.734 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.573 -1.912 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.235 -2.752 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.280 -2.414 1.704 1.00 0.00 H new ATOM 585 N ALA A 40 -7.052 1.359 3.567 1.00 0.00 N ATOM 586 CA ALA A 40 -7.522 2.661 4.007 1.00 0.00 C ATOM 587 C ALA A 40 -8.197 2.520 5.373 1.00 0.00 C ATOM 588 O ALA A 40 -7.937 3.306 6.282 1.00 0.00 O ATOM 589 CB ALA A 40 -8.460 3.249 2.952 1.00 0.00 C ATOM 0 H ALA A 40 -7.160 1.182 2.568 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.686 3.352 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.813 4.226 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.925 3.356 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.312 2.584 2.812 1.00 0.00 H new ATOM 595 N GLU A 41 -9.050 1.511 5.474 1.00 0.00 N ATOM 596 CA GLU A 41 -9.764 1.256 6.714 1.00 0.00 C ATOM 597 C GLU A 41 -8.811 0.688 7.768 1.00 0.00 C ATOM 598 O GLU A 41 -8.863 1.080 8.933 1.00 0.00 O ATOM 599 CB GLU A 41 -10.948 0.317 6.482 1.00 0.00 C ATOM 600 CG GLU A 41 -11.707 0.695 5.208 1.00 0.00 C ATOM 601 CD GLU A 41 -13.194 0.907 5.498 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.888 -0.116 5.681 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.604 2.088 5.531 1.00 0.00 O ATOM 0 H GLU A 41 -9.263 0.861 4.718 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.161 2.202 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.592 -0.711 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.623 0.359 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.282 1.605 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.587 -0.091 4.462 1.00 0.00 H new ATOM 610 N LYS A 42 -7.964 -0.227 7.321 1.00 0.00 N ATOM 611 CA LYS A 42 -7.001 -0.854 8.211 1.00 0.00 C ATOM 612 C LYS A 42 -6.072 0.218 8.786 1.00 0.00 C ATOM 613 O LYS A 42 -5.408 -0.009 9.796 1.00 0.00 O ATOM 614 CB LYS A 42 -6.264 -1.985 7.492 1.00 0.00 C ATOM 615 CG LYS A 42 -6.699 -3.351 8.027 1.00 0.00 C ATOM 616 CD LYS A 42 -8.208 -3.548 7.865 1.00 0.00 C ATOM 617 CE LYS A 42 -8.583 -3.715 6.391 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.920 -3.136 6.128 1.00 0.00 N ATOM 0 H LYS A 42 -7.924 -0.550 6.354 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.509 -1.322 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.462 -1.930 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.189 -1.865 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.167 -4.140 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.428 -3.436 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.526 -4.426 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.737 -2.692 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.838 -3.226 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.579 -4.772 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.555 -3.878 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.307 -2.743 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.837 -2.380 5.419 1.00 0.00 H new ATOM 632 N ILE A 43 -6.055 1.361 8.118 1.00 0.00 N ATOM 633 CA ILE A 43 -5.219 2.468 8.549 1.00 0.00 C ATOM 634 C ILE A 43 -6.108 3.606 9.055 1.00 0.00 C ATOM 635 O ILE A 43 -5.624 4.537 9.698 1.00 0.00 O ATOM 636 CB ILE A 43 -4.262 2.886 7.430 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.865 4.009 6.584 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.856 1.681 6.579 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.854 4.526 5.559 1.00 0.00 C ATOM 0 H ILE A 43 -6.607 1.545 7.280 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.585 2.164 9.381 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.353 3.280 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.755 3.645 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.183 4.826 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.176 2.005 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.358 0.943 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.745 1.236 6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.308 5.324 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.976 4.912 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.557 3.712 4.898 1.00 0.00 H new ATOM 651 N GLN A 44 -7.391 3.495 8.746 1.00 0.00 N ATOM 652 CA GLN A 44 -8.352 4.503 9.161 1.00 0.00 C ATOM 653 C GLN A 44 -8.156 5.787 8.352 1.00 0.00 C ATOM 654 O GLN A 44 -7.876 6.843 8.915 1.00 0.00 O ATOM 655 CB GLN A 44 -8.243 4.779 10.662 1.00 0.00 C ATOM 656 CG GLN A 44 -8.202 3.473 11.458 1.00 0.00 C ATOM 657 CD GLN A 44 -8.444 3.730 12.946 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.552 3.630 13.447 1.00 0.00 O ATOM 659 NE2 GLN A 44 -7.350 4.066 13.623 1.00 0.00 N ATOM 0 H GLN A 44 -7.788 2.722 8.213 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.355 4.123 8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.344 5.361 10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.092 5.381 10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.958 2.787 11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.234 2.990 11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.453 4.132 13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.408 4.258 14.623 1.00 0.00 H new ATOM 668 N TYR A 45 -8.313 5.653 7.043 1.00 0.00 N ATOM 669 CA TYR A 45 -8.158 6.789 6.151 1.00 0.00 C ATOM 670 C TYR A 45 -9.150 6.714 4.989 1.00 0.00 C ATOM 671 O TYR A 45 -10.128 5.970 5.050 1.00 0.00 O ATOM 672 CB TYR A 45 -6.735 6.699 5.596 1.00 0.00 C ATOM 673 CG TYR A 45 -5.821 7.843 6.038 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.809 9.029 5.332 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.007 7.690 7.143 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.949 10.107 5.748 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.147 8.768 7.558 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.161 9.923 6.840 1.00 0.00 C ATOM 679 OH TYR A 45 -3.348 10.940 7.233 1.00 0.00 O ATOM 0 H TYR A 45 -8.546 4.775 6.579 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.341 7.722 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.293 5.753 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.781 6.684 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.445 9.149 4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.015 6.762 7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.931 11.040 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.505 8.662 8.420 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.844 10.667 8.028 1.00 0.00 H new ATOM 689 N ALA A 46 -8.865 7.495 3.957 1.00 0.00 N ATOM 690 CA ALA A 46 -9.721 7.527 2.783 1.00 0.00 C ATOM 691 C ALA A 46 -8.948 6.984 1.580 1.00 0.00 C ATOM 692 O ALA A 46 -8.062 7.656 1.052 1.00 0.00 O ATOM 693 CB ALA A 46 -10.226 8.953 2.558 1.00 0.00 C ATOM 0 H ALA A 46 -8.053 8.111 3.910 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.595 6.892 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.868 8.977 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.793 9.280 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.377 9.620 2.406 1.00 0.00 H new ATOM 699 N GLU A 47 -9.311 5.775 1.180 1.00 0.00 N ATOM 700 CA GLU A 47 -8.663 5.135 0.048 1.00 0.00 C ATOM 701 C GLU A 47 -8.513 6.126 -1.108 1.00 0.00 C ATOM 702 O GLU A 47 -7.478 6.157 -1.773 1.00 0.00 O ATOM 703 CB GLU A 47 -9.434 3.889 -0.394 1.00 0.00 C ATOM 704 CG GLU A 47 -10.904 4.221 -0.660 1.00 0.00 C ATOM 705 CD GLU A 47 -11.626 3.034 -1.301 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.301 2.736 -2.470 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.487 2.452 -0.607 1.00 0.00 O ATOM 0 H GLU A 47 -10.046 5.221 1.620 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.668 4.815 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.981 3.477 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.364 3.121 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.395 4.488 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.972 5.090 -1.315 1.00 0.00 H new ATOM 714 N GLU A 48 -9.561 6.910 -1.312 1.00 0.00 N ATOM 715 CA GLU A 48 -9.559 7.900 -2.376 1.00 0.00 C ATOM 716 C GLU A 48 -8.431 8.911 -2.158 1.00 0.00 C ATOM 717 O GLU A 48 -7.850 9.414 -3.119 1.00 0.00 O ATOM 718 CB GLU A 48 -10.914 8.602 -2.475 1.00 0.00 C ATOM 719 CG GLU A 48 -11.370 9.109 -1.105 1.00 0.00 C ATOM 720 CD GLU A 48 -12.455 10.178 -1.248 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.075 11.341 -1.504 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.639 9.808 -1.099 1.00 0.00 O ATOM 0 H GLU A 48 -10.417 6.880 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.383 7.388 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.845 9.438 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.656 7.913 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.751 8.276 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.518 9.521 -0.564 1.00 0.00 H new ATOM 729 N ASP A 49 -8.157 9.179 -0.890 1.00 0.00 N ATOM 730 CA ASP A 49 -7.110 10.122 -0.534 1.00 0.00 C ATOM 731 C ASP A 49 -5.771 9.385 -0.458 1.00 0.00 C ATOM 732 O ASP A 49 -4.728 10.005 -0.258 1.00 0.00 O ATOM 733 CB ASP A 49 -7.380 10.754 0.832 1.00 0.00 C ATOM 734 CG ASP A 49 -8.644 11.613 0.909 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.258 11.815 -0.160 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.968 12.047 2.036 1.00 0.00 O ATOM 0 H ASP A 49 -8.642 8.760 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.086 10.903 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.453 9.960 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.523 11.370 1.106 1.00 0.00 H new ATOM 741 N LEU A 50 -5.844 8.072 -0.622 1.00 0.00 N ATOM 742 CA LEU A 50 -4.651 7.245 -0.574 1.00 0.00 C ATOM 743 C LEU A 50 -4.313 6.763 -1.986 1.00 0.00 C ATOM 744 O LEU A 50 -5.012 7.093 -2.943 1.00 0.00 O ATOM 745 CB LEU A 50 -4.826 6.110 0.437 1.00 0.00 C ATOM 746 CG LEU A 50 -5.039 6.534 1.892 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.196 5.315 2.801 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.916 7.460 2.363 1.00 0.00 C ATOM 0 H LEU A 50 -6.711 7.561 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.799 7.826 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.677 5.503 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.945 5.470 0.391 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.969 7.100 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.346 5.645 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.057 4.729 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.297 4.701 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.091 7.747 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.960 6.941 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.895 8.353 1.738 1.00 0.00 H new ATOM 760 N ALA A 51 -3.240 5.991 -2.073 1.00 0.00 N ATOM 761 CA ALA A 51 -2.800 5.460 -3.352 1.00 0.00 C ATOM 762 C ALA A 51 -1.778 4.348 -3.114 1.00 0.00 C ATOM 763 O ALA A 51 -1.026 4.388 -2.141 1.00 0.00 O ATOM 764 CB ALA A 51 -2.238 6.596 -4.209 1.00 0.00 C ATOM 0 H ALA A 51 -2.662 5.720 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.638 5.025 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.908 6.199 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.013 7.345 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.393 7.055 -3.696 1.00 0.00 H new ATOM 770 N LEU A 52 -1.782 3.380 -4.019 1.00 0.00 N ATOM 771 CA LEU A 52 -0.864 2.258 -3.919 1.00 0.00 C ATOM 772 C LEU A 52 0.484 2.653 -4.525 1.00 0.00 C ATOM 773 O LEU A 52 0.581 2.895 -5.727 1.00 0.00 O ATOM 774 CB LEU A 52 -1.478 1.006 -4.549 1.00 0.00 C ATOM 775 CG LEU A 52 -2.643 0.373 -3.784 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.561 0.700 -2.292 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.986 0.788 -4.389 1.00 0.00 C ATOM 0 H LEU A 52 -2.406 3.350 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.683 2.005 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.823 1.259 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.693 0.258 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.567 -0.710 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.400 0.238 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.626 0.314 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.598 1.781 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.797 0.325 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.086 1.872 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.033 0.463 -5.428 1.00 0.00 H new ATOM 789 N VAL A 53 1.491 2.705 -3.665 1.00 0.00 N ATOM 790 CA VAL A 53 2.829 3.067 -4.101 1.00 0.00 C ATOM 791 C VAL A 53 3.669 1.798 -4.258 1.00 0.00 C ATOM 792 O VAL A 53 3.922 1.092 -3.283 1.00 0.00 O ATOM 793 CB VAL A 53 3.443 4.073 -3.125 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.967 4.099 -3.252 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.851 5.469 -3.333 1.00 0.00 C ATOM 0 H VAL A 53 1.407 2.503 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 53 2.795 3.558 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 53 3.197 3.752 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.379 4.822 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.367 3.109 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.243 4.384 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.304 6.165 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.053 5.802 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.774 5.436 -3.169 1.00 0.00 H new ATOM 805 N ALA A 54 4.078 1.547 -5.493 1.00 0.00 N ATOM 806 CA ALA A 54 4.884 0.375 -5.791 1.00 0.00 C ATOM 807 C ALA A 54 6.342 0.800 -5.980 1.00 0.00 C ATOM 808 O ALA A 54 6.689 1.407 -6.992 1.00 0.00 O ATOM 809 CB ALA A 54 4.319 -0.334 -7.023 1.00 0.00 C ATOM 0 H ALA A 54 3.866 2.135 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 54 4.851 -0.334 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.924 -1.213 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.292 -0.641 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.339 0.346 -7.875 1.00 0.00 H new ATOM 815 N ILE A 55 7.157 0.463 -4.991 1.00 0.00 N ATOM 816 CA ILE A 55 8.569 0.801 -5.036 1.00 0.00 C ATOM 817 C ILE A 55 9.327 -0.291 -5.792 1.00 0.00 C ATOM 818 O ILE A 55 8.851 -1.421 -5.901 1.00 0.00 O ATOM 819 CB ILE A 55 9.104 1.057 -3.626 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.150 1.952 -2.831 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.521 1.631 -3.673 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.864 2.596 -1.642 1.00 0.00 C ATOM 0 H ILE A 55 6.866 -0.041 -4.153 1.00 0.00 H new ATOM 0 HA ILE A 55 8.720 1.731 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 55 9.160 0.102 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.747 2.728 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.304 1.363 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.877 1.804 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.183 0.925 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.514 2.574 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.163 3.226 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.244 1.817 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.694 3.204 -2.002 1.00 0.00 H new ATOM 834 N THR A 56 10.494 0.083 -6.296 1.00 0.00 N ATOM 835 CA THR A 56 11.323 -0.852 -7.039 1.00 0.00 C ATOM 836 C THR A 56 12.536 -1.268 -6.205 1.00 0.00 C ATOM 837 O THR A 56 12.823 -0.661 -5.174 1.00 0.00 O ATOM 838 CB THR A 56 11.696 -0.197 -8.370 1.00 0.00 C ATOM 839 OG1 THR A 56 12.526 -1.162 -9.011 1.00 0.00 O ATOM 840 CG2 THR A 56 12.609 1.018 -8.189 1.00 0.00 C ATOM 0 H THR A 56 10.885 1.021 -6.205 1.00 0.00 H new ATOM 0 HA THR A 56 10.784 -1.775 -7.254 1.00 0.00 H new ATOM 0 HB THR A 56 10.789 0.105 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.812 -0.819 -9.883 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.844 1.445 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.103 1.765 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.531 0.710 -7.697 1.00 0.00 H new ATOM 848 N PHE A 57 13.215 -2.301 -6.682 1.00 0.00 N ATOM 849 CA PHE A 57 14.391 -2.806 -5.993 1.00 0.00 C ATOM 850 C PHE A 57 15.350 -1.667 -5.639 1.00 0.00 C ATOM 851 O PHE A 57 15.635 -1.433 -4.466 1.00 0.00 O ATOM 852 CB PHE A 57 15.093 -3.768 -6.953 1.00 0.00 C ATOM 853 CG PHE A 57 15.766 -4.956 -6.262 1.00 0.00 C ATOM 854 CD1 PHE A 57 15.015 -5.857 -5.573 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.115 -5.111 -6.336 1.00 0.00 C ATOM 856 CE1 PHE A 57 15.639 -6.959 -4.932 1.00 0.00 C ATOM 857 CE2 PHE A 57 17.739 -6.213 -5.695 1.00 0.00 C ATOM 858 CZ PHE A 57 16.988 -7.114 -5.006 1.00 0.00 C ATOM 0 H PHE A 57 12.973 -2.802 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 57 14.097 -3.299 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.365 -4.144 -7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.844 -3.217 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.944 -5.734 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.712 -4.396 -6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.042 -7.674 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.810 -6.336 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.463 -7.952 -4.518 1.00 0.00 H new ATOM 868 N SER A 58 15.821 -0.990 -6.676 1.00 0.00 N ATOM 869 CA SER A 58 16.743 0.118 -6.489 1.00 0.00 C ATOM 870 C SER A 58 16.328 0.943 -5.269 1.00 0.00 C ATOM 871 O SER A 58 17.038 0.971 -4.264 1.00 0.00 O ATOM 872 CB SER A 58 16.798 1.004 -7.735 1.00 0.00 C ATOM 873 OG SER A 58 17.439 0.351 -8.827 1.00 0.00 O ATOM 0 H SER A 58 15.582 -1.187 -7.648 1.00 0.00 H new ATOM 0 HA SER A 58 17.740 -0.290 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.786 1.285 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.330 1.926 -7.501 1.00 0.00 H new ATOM 0 HG SER A 58 17.452 0.949 -9.603 1.00 0.00 H new ATOM 879 N GLY A 59 15.182 1.594 -5.396 1.00 0.00 N ATOM 880 CA GLY A 59 14.665 2.418 -4.316 1.00 0.00 C ATOM 881 C GLY A 59 13.982 3.673 -4.863 1.00 0.00 C ATOM 882 O GLY A 59 14.516 4.775 -4.747 1.00 0.00 O ATOM 0 H GLY A 59 14.596 1.568 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.955 1.842 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.479 2.704 -3.650 1.00 0.00 H new ATOM 886 N GLU A 60 12.811 3.465 -5.446 1.00 0.00 N ATOM 887 CA GLU A 60 12.049 4.566 -6.011 1.00 0.00 C ATOM 888 C GLU A 60 10.552 4.256 -5.962 1.00 0.00 C ATOM 889 O GLU A 60 10.121 3.188 -6.394 1.00 0.00 O ATOM 890 CB GLU A 60 12.500 4.867 -7.442 1.00 0.00 C ATOM 891 CG GLU A 60 13.874 5.541 -7.453 1.00 0.00 C ATOM 892 CD GLU A 60 14.190 6.117 -8.835 1.00 0.00 C ATOM 893 OE1 GLU A 60 14.063 5.349 -9.813 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.552 7.313 -8.882 1.00 0.00 O ATOM 0 H GLU A 60 12.371 2.550 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 60 12.235 5.457 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.540 3.942 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.770 5.513 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.899 6.337 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.640 4.818 -7.172 1.00 0.00 H new ATOM 901 N LYS A 61 9.800 5.209 -5.431 1.00 0.00 N ATOM 902 CA LYS A 61 8.360 5.051 -5.320 1.00 0.00 C ATOM 903 C LYS A 61 7.730 5.162 -6.710 1.00 0.00 C ATOM 904 O LYS A 61 8.262 5.845 -7.584 1.00 0.00 O ATOM 905 CB LYS A 61 7.789 6.044 -4.305 1.00 0.00 C ATOM 906 CG LYS A 61 8.126 5.621 -2.874 1.00 0.00 C ATOM 907 CD LYS A 61 9.115 6.597 -2.232 1.00 0.00 C ATOM 908 CE LYS A 61 10.332 5.857 -1.674 1.00 0.00 C ATOM 909 NZ LYS A 61 11.274 5.513 -2.762 1.00 0.00 N ATOM 0 H LYS A 61 10.161 6.093 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 61 8.114 4.061 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.191 7.038 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.707 6.109 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.214 5.578 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.551 4.617 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.438 7.331 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.621 7.147 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.835 6.479 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.010 4.949 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.227 5.379 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.964 4.635 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.294 6.283 -3.460 1.00 0.00 H new ATOM 923 N HIS A 62 6.606 4.479 -6.871 1.00 0.00 N ATOM 924 CA HIS A 62 5.898 4.492 -8.140 1.00 0.00 C ATOM 925 C HIS A 62 4.401 4.288 -7.895 1.00 0.00 C ATOM 926 O HIS A 62 3.991 3.257 -7.364 1.00 0.00 O ATOM 927 CB HIS A 62 6.488 3.459 -9.101 1.00 0.00 C ATOM 928 CG HIS A 62 6.957 4.039 -10.414 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.997 4.948 -10.503 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.518 3.830 -11.689 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.168 5.265 -11.778 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.250 4.572 -12.511 1.00 0.00 N ATOM 0 H HIS A 62 6.168 3.913 -6.144 1.00 0.00 H new ATOM 0 HA HIS A 62 6.023 5.462 -8.621 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.328 2.963 -8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.738 2.694 -9.301 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.540 5.312 -9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.712 3.173 -11.980 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.905 5.951 -12.168 1.00 0.00 H new ATOM 940 N GLU A 63 3.627 5.287 -8.293 1.00 0.00 N ATOM 941 CA GLU A 63 2.185 5.229 -8.123 1.00 0.00 C ATOM 942 C GLU A 63 1.527 4.643 -9.374 1.00 0.00 C ATOM 943 O GLU A 63 2.036 4.804 -10.482 1.00 0.00 O ATOM 944 CB GLU A 63 1.616 6.613 -7.801 1.00 0.00 C ATOM 945 CG GLU A 63 0.384 6.502 -6.901 1.00 0.00 C ATOM 946 CD GLU A 63 -0.827 7.184 -7.543 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.675 8.364 -7.928 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.876 6.510 -7.633 1.00 0.00 O ATOM 0 H GLU A 63 3.971 6.141 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 63 1.963 4.575 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.377 7.218 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.351 7.125 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.158 5.452 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.593 6.959 -5.934 1.00 0.00 H new ATOM 955 N LEU A 64 0.404 3.974 -9.154 1.00 0.00 N ATOM 956 CA LEU A 64 -0.330 3.363 -10.249 1.00 0.00 C ATOM 957 C LEU A 64 -1.802 3.767 -10.159 1.00 0.00 C ATOM 958 O LEU A 64 -2.138 4.763 -9.519 1.00 0.00 O ATOM 959 CB LEU A 64 -0.107 1.849 -10.263 1.00 0.00 C ATOM 960 CG LEU A 64 1.153 1.349 -9.554 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.871 1.055 -8.079 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.745 0.138 -10.277 1.00 0.00 C ATOM 0 H LEU A 64 -0.015 3.842 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 64 0.042 3.726 -11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.972 1.370 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.072 1.517 -11.301 1.00 0.00 H new ATOM 0 HG LEU A 64 1.901 2.141 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.783 0.701 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.530 1.965 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.099 0.289 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.640 -0.197 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.012 -0.668 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.006 0.416 -11.298 1.00 0.00 H new ATOM 974 N GLN A 65 -2.641 2.974 -10.809 1.00 0.00 N ATOM 975 CA GLN A 65 -4.070 3.238 -10.811 1.00 0.00 C ATOM 976 C GLN A 65 -4.783 2.303 -9.831 1.00 0.00 C ATOM 977 O GLN A 65 -4.215 1.302 -9.397 1.00 0.00 O ATOM 978 CB GLN A 65 -4.652 3.101 -12.219 1.00 0.00 C ATOM 979 CG GLN A 65 -4.542 4.419 -12.988 1.00 0.00 C ATOM 980 CD GLN A 65 -5.925 4.943 -13.379 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.442 4.666 -14.449 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.494 5.712 -12.456 1.00 0.00 N ATOM 0 H GLN A 65 -2.359 2.149 -11.338 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.230 4.266 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.124 2.315 -12.760 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.697 2.798 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.028 5.160 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.938 4.272 -13.884 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.006 5.904 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.418 6.110 -12.623 1.00 0.00 H new ATOM 991 N PRO A 66 -6.050 2.674 -9.502 1.00 0.00 N ATOM 992 CA PRO A 66 -6.846 1.880 -8.581 1.00 0.00 C ATOM 993 C PRO A 66 -7.357 0.606 -9.256 1.00 0.00 C ATOM 994 O PRO A 66 -8.014 -0.217 -8.620 1.00 0.00 O ATOM 995 CB PRO A 66 -7.966 2.805 -8.132 1.00 0.00 C ATOM 996 CG PRO A 66 -8.026 3.919 -9.165 1.00 0.00 C ATOM 997 CD PRO A 66 -6.755 3.853 -9.995 1.00 0.00 C ATOM 0 HA PRO A 66 -6.272 1.527 -7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.915 2.271 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.767 3.205 -7.138 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.904 3.803 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.113 4.889 -8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.980 3.764 -11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.154 4.754 -9.871 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.036 0.482 -10.535 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.454 -0.678 -11.303 1.00 0.00 C ATOM 1007 C ASN A 67 -6.291 -1.152 -12.177 1.00 0.00 C ATOM 1008 O ASN A 67 -6.477 -1.452 -13.355 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.627 -0.336 -12.223 1.00 0.00 C ATOM 1010 CG ASN A 67 -9.647 -1.477 -12.259 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -10.746 -1.377 -11.740 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -9.221 -2.562 -12.899 1.00 0.00 N ATOM 0 H ASN A 67 -6.491 1.166 -11.059 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.760 -1.454 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.110 0.578 -11.877 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.259 -0.141 -13.230 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.827 -3.378 -12.978 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.288 -2.578 -13.311 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.117 -1.206 -11.565 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.924 -1.639 -12.272 1.00 0.00 C ATOM 1021 C ASP A 68 -3.690 -3.127 -12.006 1.00 0.00 C ATOM 1022 O ASP A 68 -2.881 -3.763 -12.681 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.690 -0.873 -11.791 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.436 -1.062 -12.648 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.455 -0.572 -13.797 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.487 -1.693 -12.133 1.00 0.00 O ATOM 0 H ASP A 68 -4.967 -0.957 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.075 -1.449 -13.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.931 0.189 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.464 -1.182 -10.770 1.00 0.00 H new ATOM 1031 N LEU A 69 -4.412 -3.640 -11.021 1.00 0.00 N ATOM 1032 CA LEU A 69 -4.293 -5.042 -10.657 1.00 0.00 C ATOM 1033 C LEU A 69 -3.120 -5.216 -9.691 1.00 0.00 C ATOM 1034 O LEU A 69 -2.012 -4.756 -9.965 1.00 0.00 O ATOM 1035 CB LEU A 69 -4.193 -5.914 -11.911 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.076 -7.163 -11.931 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.791 -8.055 -10.721 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.556 -6.787 -12.030 1.00 0.00 C ATOM 0 H LEU A 69 -5.082 -3.110 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.189 -5.378 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.445 -5.301 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.155 -6.225 -12.032 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.830 -7.741 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.432 -8.936 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.746 -8.365 -10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.992 -7.500 -9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.162 -7.693 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.834 -6.176 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.728 -6.223 -12.947 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.402 -5.882 -8.581 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.384 -6.123 -7.573 1.00 0.00 C ATOM 1052 C VAL A 70 -1.973 -7.596 -7.611 1.00 0.00 C ATOM 1053 O VAL A 70 -1.856 -8.239 -6.569 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.892 -5.679 -6.200 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.415 -4.263 -5.871 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.417 -5.776 -6.122 1.00 0.00 C ATOM 0 H VAL A 70 -4.322 -6.262 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.492 -5.532 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.475 -6.355 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.790 -3.972 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.325 -4.238 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.790 -3.569 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.752 -5.455 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.862 -5.135 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.725 -6.808 -6.291 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.765 -8.088 -8.824 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.370 -9.474 -9.011 1.00 0.00 C ATOM 1068 C ILE A 71 -1.246 -9.766 -10.508 1.00 0.00 C ATOM 1069 O ILE A 71 -1.800 -10.748 -11.000 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.334 -10.410 -8.279 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -2.072 -11.870 -8.656 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.788 -10.005 -8.530 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.064 -12.763 -7.414 1.00 0.00 C ATOM 0 H ILE A 71 -1.863 -7.552 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.391 -9.654 -8.568 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.154 -10.317 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.839 -12.213 -9.350 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.115 -11.950 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.452 -10.686 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.949 -8.988 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.999 -10.052 -9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.876 -13.795 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.280 -12.432 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.030 -12.699 -6.914 1.00 0.00 H new ATOM 1191 N ARG A 80 7.147 -4.926 -3.296 1.00 0.00 N ATOM 1192 CA ARG A 80 6.438 -4.548 -2.085 1.00 0.00 C ATOM 1193 C ARG A 80 5.631 -3.270 -2.320 1.00 0.00 C ATOM 1194 O ARG A 80 6.201 -2.193 -2.488 1.00 0.00 O ATOM 1195 CB ARG A 80 7.410 -4.323 -0.925 1.00 0.00 C ATOM 1196 CG ARG A 80 7.650 -5.621 -0.151 1.00 0.00 C ATOM 1197 CD ARG A 80 9.140 -5.827 0.126 1.00 0.00 C ATOM 1198 NE ARG A 80 9.837 -6.217 -1.120 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.158 -6.424 -1.208 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.933 -6.279 -0.125 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.704 -6.775 -2.380 1.00 0.00 N ATOM 0 HA ARG A 80 5.764 -5.365 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.357 -3.943 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.010 -3.563 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.102 -5.594 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.262 -6.465 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.575 -4.910 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.274 -6.598 0.884 1.00 0.00 H new ATOM 0 HE ARG A 80 9.277 -6.336 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.518 -6.011 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.938 -6.437 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.114 -6.885 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.709 -6.933 -2.447 1.00 0.00 H new ATOM 1215 N ILE A 81 4.316 -3.431 -2.323 1.00 0.00 N ATOM 1216 CA ILE A 81 3.424 -2.303 -2.534 1.00 0.00 C ATOM 1217 C ILE A 81 3.316 -1.494 -1.240 1.00 0.00 C ATOM 1218 O ILE A 81 3.535 -2.025 -0.152 1.00 0.00 O ATOM 1219 CB ILE A 81 2.075 -2.780 -3.076 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.238 -3.446 -4.444 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.062 -1.634 -3.113 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.177 -2.410 -5.568 1.00 0.00 C ATOM 0 H ILE A 81 3.846 -4.326 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 81 3.828 -1.635 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 81 1.681 -3.535 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.190 -3.975 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.454 -4.189 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.112 -2.000 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.916 -1.245 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.436 -0.839 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.295 -2.909 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.214 -1.899 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.978 -1.682 -5.436 1.00 0.00 H new ATOM 1234 N TYR A 82 2.978 -0.223 -1.400 1.00 0.00 N ATOM 1235 CA TYR A 82 2.838 0.664 -0.258 1.00 0.00 C ATOM 1236 C TYR A 82 1.619 1.575 -0.417 1.00 0.00 C ATOM 1237 O TYR A 82 0.937 1.532 -1.440 1.00 0.00 O ATOM 1238 CB TYR A 82 4.103 1.523 -0.234 1.00 0.00 C ATOM 1239 CG TYR A 82 5.364 0.764 0.185 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.055 0.010 -0.742 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.809 0.833 1.489 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.241 -0.704 -0.348 1.00 0.00 C ATOM 1243 CE2 TYR A 82 6.996 0.118 1.883 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.653 -0.615 0.945 1.00 0.00 C ATOM 1245 OH TYR A 82 8.774 -1.290 1.317 1.00 0.00 O ATOM 0 H TYR A 82 2.797 0.214 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 82 2.705 0.091 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.260 1.948 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.950 2.358 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.706 -0.044 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.268 1.423 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.791 -1.297 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.356 0.163 2.900 1.00 0.00 H new ATOM 0 HH TYR A 82 8.520 -2.117 1.777 1.00 0.00 H new ATOM 1255 N VAL A 83 1.383 2.378 0.610 1.00 0.00 N ATOM 1256 CA VAL A 83 0.258 3.299 0.596 1.00 0.00 C ATOM 1257 C VAL A 83 0.716 4.664 1.114 1.00 0.00 C ATOM 1258 O VAL A 83 1.405 4.747 2.129 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.906 2.714 1.399 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.428 2.192 2.756 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.025 3.743 1.570 1.00 0.00 C ATOM 0 H VAL A 83 1.951 2.410 1.457 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.106 3.443 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.310 1.870 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.274 1.782 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.318 1.412 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.013 3.010 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.840 3.302 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.640 4.615 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.394 4.046 0.590 1.00 0.00 H new ATOM 1271 N TYR A 84 0.314 5.700 0.392 1.00 0.00 N ATOM 1272 CA TYR A 84 0.674 7.057 0.766 1.00 0.00 C ATOM 1273 C TYR A 84 -0.565 7.950 0.847 1.00 0.00 C ATOM 1274 O TYR A 84 -1.652 7.550 0.432 1.00 0.00 O ATOM 1275 CB TYR A 84 1.588 7.572 -0.347 1.00 0.00 C ATOM 1276 CG TYR A 84 3.016 7.025 -0.283 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.241 5.669 -0.403 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.078 7.888 -0.107 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.584 5.154 -0.343 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.421 7.374 -0.047 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.608 6.032 -0.168 1.00 0.00 C ATOM 1282 OH TYR A 84 6.877 5.546 -0.111 1.00 0.00 O ATOM 0 H TYR A 84 -0.257 5.627 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 84 1.157 7.071 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.152 7.310 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.624 8.660 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.410 4.994 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.902 8.949 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.774 4.095 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.261 8.039 0.091 1.00 0.00 H new ATOM 0 HH TYR A 84 6.850 4.577 0.030 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.361 9.144 1.384 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.448 10.098 1.524 1.00 0.00 C ATOM 1294 C ARG A 85 -1.441 11.087 0.356 1.00 0.00 C ATOM 1295 O ARG A 85 -0.384 11.569 -0.047 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.335 10.872 2.839 1.00 0.00 C ATOM 1297 CG ARG A 85 -1.354 9.921 4.038 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.687 10.563 5.257 1.00 0.00 C ATOM 1299 NE ARG A 85 0.775 10.338 5.210 1.00 0.00 N ATOM 1300 CZ ARG A 85 1.629 10.746 6.159 1.00 0.00 C ATOM 1301 NH1 ARG A 85 1.171 11.402 7.234 1.00 0.00 N ATOM 1302 NH2 ARG A 85 2.939 10.498 6.032 1.00 0.00 N ATOM 0 H ARG A 85 0.541 9.473 1.728 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.383 9.538 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.413 11.453 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.159 11.581 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.383 9.655 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.838 8.996 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.898 11.632 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.099 10.140 6.173 1.00 0.00 H new ATOM 0 HE ARG A 85 1.157 9.841 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.173 11.590 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.820 11.713 7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.287 9.999 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.589 10.808 6.754 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.633 11.360 -0.153 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.778 12.282 -1.267 1.00 0.00 C ATOM 1318 C LYS A 86 -3.405 13.585 -0.766 1.00 0.00 C ATOM 1319 O LYS A 86 -4.428 13.563 -0.083 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.555 11.625 -2.409 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.764 10.462 -3.012 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.425 9.957 -4.296 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.527 10.206 -5.510 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.282 9.994 -6.765 1.00 0.00 N ATOM 0 H LYS A 86 -3.508 10.959 0.185 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.802 12.536 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.515 11.264 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.768 12.364 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.744 10.783 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.697 9.649 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.634 8.891 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.382 10.459 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.139 11.224 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.668 9.536 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.658 10.167 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.632 9.015 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.088 10.651 -6.801 1.00 0.00 H new ATOM 1424 N ASN A 93 4.469 11.185 0.284 1.00 0.00 N ATOM 1425 CA ASN A 93 5.461 11.017 1.332 1.00 0.00 C ATOM 1426 C ASN A 93 5.137 9.758 2.138 1.00 0.00 C ATOM 1427 O ASN A 93 3.976 9.366 2.245 1.00 0.00 O ATOM 1428 CB ASN A 93 5.456 12.208 2.293 1.00 0.00 C ATOM 1429 CG ASN A 93 6.072 13.445 1.636 1.00 0.00 C ATOM 1430 OD1 ASN A 93 7.141 13.905 2.001 1.00 0.00 O ATOM 1431 ND2 ASN A 93 5.339 13.955 0.650 1.00 0.00 N ATOM 0 HA ASN A 93 6.440 10.940 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.434 12.427 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.014 11.955 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.663 14.782 0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.453 13.519 0.396 1.00 0.00 H new ATOM 1438 N PRO A 94 6.212 9.142 2.700 1.00 0.00 N ATOM 1439 CA PRO A 94 6.053 7.935 3.493 1.00 0.00 C ATOM 1440 C PRO A 94 5.474 8.258 4.872 1.00 0.00 C ATOM 1441 O PRO A 94 5.647 9.365 5.379 1.00 0.00 O ATOM 1442 CB PRO A 94 7.443 7.323 3.561 1.00 0.00 C ATOM 1443 CG PRO A 94 8.408 8.441 3.203 1.00 0.00 C ATOM 1444 CD PRO A 94 7.601 9.577 2.595 1.00 0.00 C ATOM 0 HA PRO A 94 5.344 7.233 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.650 6.933 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.537 6.488 2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.941 8.784 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.159 8.086 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.765 10.511 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.884 9.752 1.557 1.00 0.00 H new ATOM 1452 N PHE A 95 4.797 7.270 5.440 1.00 0.00 N ATOM 1453 CA PHE A 95 4.191 7.435 6.750 1.00 0.00 C ATOM 1454 C PHE A 95 5.238 7.310 7.858 1.00 0.00 C ATOM 1455 O PHE A 95 6.424 7.139 7.580 1.00 0.00 O ATOM 1456 CB PHE A 95 3.160 6.316 6.910 1.00 0.00 C ATOM 1457 CG PHE A 95 1.765 6.676 6.396 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.469 6.536 5.076 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.821 7.138 7.259 1.00 0.00 C ATOM 1460 CE1 PHE A 95 0.175 6.871 4.599 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.474 7.472 6.782 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.770 7.332 5.462 1.00 0.00 C ATOM 0 H PHE A 95 4.655 6.353 5.017 1.00 0.00 H new ATOM 0 HA PHE A 95 3.735 8.422 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.514 5.432 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.090 6.049 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.219 6.170 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.056 7.251 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.059 6.760 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.224 7.837 7.468 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.755 7.587 5.099 1.00 0.00 H new