USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 471 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: A2651 ASN : amide:sc= -5.85! C(o=-7.3!,f=-16!) USER MOD Set 1.2: A2654 ASN : amide:sc= -1.43! C(o=-7.3!,f=-21!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot 180:sc= 0.0979 USER MOD Single : A2642 THR OG1 : rot 180:sc= 0 USER MOD Single : A2652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ -155:sc= 0.0373 (180deg=0) USER MOD Single : A2658 MET CE :methyl -126:sc= -0.932 (180deg=-1.97!) USER MOD Single : A2666 MET CE :methyl 172:sc= -6.51! (180deg=-7.22!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.23) USER MOD Single : A2686 THR OG1 : rot 180:sc= 0 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.018) USER MOD Single : A2692 SER OG : rot -90:sc= 0.75 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl 139:sc= -5.12! (180deg=-7.03!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.507 -5.100 2.978 1.00 0.00 N ATOM 141 CA ILE A2638 11.028 -3.738 3.070 1.00 0.00 C ATOM 142 C ILE A2638 11.985 -2.722 2.452 1.00 0.00 C ATOM 143 O ILE A2638 11.628 -1.560 2.301 1.00 0.00 O ATOM 144 CB ILE A2638 10.752 -3.354 4.533 1.00 0.00 C ATOM 145 CG1 ILE A2638 12.036 -3.419 5.360 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.685 -4.265 5.125 1.00 0.00 C ATOM 147 CD1 ILE A2638 12.083 -2.396 6.474 1.00 0.00 C ATOM 0 HA ILE A2638 10.102 -3.707 2.496 1.00 0.00 H new ATOM 0 HB ILE A2638 10.385 -2.328 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A2638 12.134 -4.417 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.892 -3.269 4.702 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.499 -3.982 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.763 -4.167 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A2638 10.028 -5.299 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A2638 13.020 -2.497 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A2638 12.016 -1.394 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.247 -2.559 7.154 1.00 0.00 H new ATOM 159 N ASN A2639 13.207 -3.125 2.118 1.00 0.00 N ATOM 160 CA ASN A2639 14.168 -2.188 1.542 1.00 0.00 C ATOM 161 C ASN A2639 13.861 -1.880 0.074 1.00 0.00 C ATOM 162 O ASN A2639 14.326 -0.875 -0.462 1.00 0.00 O ATOM 163 CB ASN A2639 15.586 -2.746 1.667 1.00 0.00 C ATOM 164 CG ASN A2639 16.119 -2.656 3.084 1.00 0.00 C ATOM 165 OD1 ASN A2639 16.607 -1.609 3.511 1.00 0.00 O ATOM 166 ND2 ASN A2639 16.030 -3.757 3.821 1.00 0.00 N ATOM 0 H ASN A2639 13.552 -4.078 2.233 1.00 0.00 H new ATOM 0 HA ASN A2639 14.088 -1.256 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.594 -3.787 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.249 -2.199 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.373 -3.757 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.618 -4.603 3.427 1.00 0.00 H new ATOM 173 N THR A2640 13.100 -2.756 -0.583 1.00 0.00 N ATOM 174 CA THR A2640 12.769 -2.571 -1.999 1.00 0.00 C ATOM 175 C THR A2640 11.687 -1.507 -2.223 1.00 0.00 C ATOM 176 O THR A2640 11.039 -1.481 -3.282 1.00 0.00 O ATOM 177 CB THR A2640 12.333 -3.899 -2.623 1.00 0.00 C ATOM 178 OG1 THR A2640 11.895 -4.807 -1.627 1.00 0.00 O ATOM 179 CG2 THR A2640 13.434 -4.571 -3.413 1.00 0.00 C ATOM 0 H THR A2640 12.703 -3.596 -0.162 1.00 0.00 H new ATOM 0 HA THR A2640 13.676 -2.215 -2.488 1.00 0.00 H new ATOM 0 HB THR A2640 11.519 -3.648 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.620 -5.648 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A2640 13.063 -5.507 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A2640 13.754 -3.915 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A2640 14.280 -4.776 -2.757 1.00 0.00 H new ATOM 187 N LEU A2641 11.486 -0.622 -1.248 1.00 0.00 N ATOM 188 CA LEU A2641 10.495 0.427 -1.382 1.00 0.00 C ATOM 189 C LEU A2641 11.059 1.617 -2.143 1.00 0.00 C ATOM 190 O LEU A2641 10.620 2.743 -1.946 1.00 0.00 O ATOM 191 CB LEU A2641 10.017 0.888 -0.012 1.00 0.00 C ATOM 192 CG LEU A2641 9.702 -0.225 0.978 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.749 0.311 2.401 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.347 -0.843 0.679 1.00 0.00 C ATOM 0 H LEU A2641 11.996 -0.616 -0.365 1.00 0.00 H new ATOM 0 HA LEU A2641 9.654 0.017 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.781 1.532 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.123 1.498 -0.144 1.00 0.00 H new ATOM 0 HG LEU A2641 10.456 -1.005 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.522 -0.494 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.744 0.703 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A2641 9.014 1.108 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.142 -1.636 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.574 -0.078 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.351 -1.259 -0.328 1.00 0.00 H new ATOM 206 N THR A2642 12.026 1.372 -3.021 1.00 0.00 N ATOM 207 CA THR A2642 12.616 2.444 -3.808 1.00 0.00 C ATOM 208 C THR A2642 11.644 2.912 -4.892 1.00 0.00 C ATOM 209 O THR A2642 11.987 3.747 -5.728 1.00 0.00 O ATOM 210 CB THR A2642 13.925 1.976 -4.446 1.00 0.00 C ATOM 211 OG1 THR A2642 14.776 1.393 -3.474 1.00 0.00 O ATOM 212 CG2 THR A2642 14.696 3.088 -5.123 1.00 0.00 C ATOM 0 H THR A2642 12.414 0.447 -3.203 1.00 0.00 H new ATOM 0 HA THR A2642 12.827 3.282 -3.143 1.00 0.00 H new ATOM 0 HB THR A2642 13.631 1.249 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A2642 15.607 1.098 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A2642 15.613 2.685 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A2642 14.086 3.525 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A2642 14.946 3.856 -4.391 1.00 0.00 H new ATOM 220 N GLY A2643 10.431 2.357 -4.875 1.00 0.00 N ATOM 221 CA GLY A2643 9.431 2.714 -5.857 1.00 0.00 C ATOM 222 C GLY A2643 8.931 1.502 -6.616 1.00 0.00 C ATOM 223 O GLY A2643 7.893 1.563 -7.279 1.00 0.00 O ATOM 0 H GLY A2643 10.128 1.663 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.593 3.204 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.851 3.435 -6.559 1.00 0.00 H new ATOM 227 N GLU A2644 9.690 0.404 -6.525 1.00 0.00 N ATOM 228 CA GLU A2644 9.357 -0.835 -7.221 1.00 0.00 C ATOM 229 C GLU A2644 8.534 -1.803 -6.366 1.00 0.00 C ATOM 230 O GLU A2644 7.776 -2.605 -6.912 1.00 0.00 O ATOM 231 CB GLU A2644 10.640 -1.528 -7.686 1.00 0.00 C ATOM 232 CG GLU A2644 10.955 -1.305 -9.157 1.00 0.00 C ATOM 233 CD GLU A2644 12.427 -1.484 -9.471 1.00 0.00 C ATOM 234 OE1 GLU A2644 12.963 -2.579 -9.198 1.00 0.00 O ATOM 235 OE2 GLU A2644 13.044 -0.531 -9.991 1.00 0.00 O ATOM 0 H GLU A2644 10.545 0.353 -5.971 1.00 0.00 H new ATOM 0 HA GLU A2644 8.739 -0.559 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.475 -1.168 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.552 -2.598 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.371 -2.001 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A2644 10.646 -0.300 -9.443 1.00 0.00 H new ATOM 242 N GLU A2645 8.661 -1.744 -5.036 1.00 0.00 N ATOM 243 CA GLU A2645 7.891 -2.645 -4.175 1.00 0.00 C ATOM 244 C GLU A2645 6.403 -2.630 -4.532 1.00 0.00 C ATOM 245 O GLU A2645 5.848 -1.587 -4.879 1.00 0.00 O ATOM 246 CB GLU A2645 8.067 -2.264 -2.703 1.00 0.00 C ATOM 247 CG GLU A2645 8.982 -3.205 -1.937 1.00 0.00 C ATOM 248 CD GLU A2645 8.448 -4.622 -1.879 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.541 -4.949 -2.673 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.939 -5.407 -1.040 1.00 0.00 O ATOM 0 H GLU A2645 9.275 -1.097 -4.542 1.00 0.00 H new ATOM 0 HA GLU A2645 8.274 -3.653 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.468 -1.252 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.090 -2.248 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.966 -3.211 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.115 -2.830 -0.922 1.00 0.00 H new ATOM 257 N ARG A2646 5.765 -3.794 -4.434 1.00 0.00 N ATOM 258 CA ARG A2646 4.340 -3.921 -4.733 1.00 0.00 C ATOM 259 C ARG A2646 3.529 -3.968 -3.441 1.00 0.00 C ATOM 260 O ARG A2646 3.392 -5.020 -2.816 1.00 0.00 O ATOM 261 CB ARG A2646 4.081 -5.177 -5.567 1.00 0.00 C ATOM 262 CG ARG A2646 4.904 -5.236 -6.844 1.00 0.00 C ATOM 263 CD ARG A2646 4.077 -4.849 -8.061 1.00 0.00 C ATOM 264 NE ARG A2646 4.889 -4.214 -9.097 1.00 0.00 N ATOM 265 CZ ARG A2646 4.517 -4.113 -10.372 1.00 0.00 C ATOM 266 NH1 ARG A2646 3.351 -4.604 -10.772 1.00 0.00 N ATOM 267 NH2 ARG A2646 5.315 -3.519 -11.249 1.00 0.00 N ATOM 0 H ARG A2646 6.213 -4.665 -4.149 1.00 0.00 H new ATOM 0 HA ARG A2646 4.028 -3.050 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.300 -6.057 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.023 -5.222 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A2646 5.760 -4.567 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A2646 5.299 -6.243 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A2646 3.597 -5.738 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A2646 3.281 -4.169 -7.757 1.00 0.00 H new ATOM 0 HE ARG A2646 5.793 -3.826 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A2646 2.734 -5.062 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A2646 3.072 -4.523 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A2646 6.213 -3.140 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A2646 5.031 -3.441 -12.226 1.00 0.00 H new ATOM 281 N VAL A2647 3.020 -2.811 -3.035 1.00 0.00 N ATOM 282 CA VAL A2647 2.248 -2.692 -1.801 1.00 0.00 C ATOM 283 C VAL A2647 0.866 -3.347 -1.897 1.00 0.00 C ATOM 284 O VAL A2647 0.012 -2.898 -2.660 1.00 0.00 O ATOM 285 CB VAL A2647 2.060 -1.219 -1.414 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.439 -1.105 -0.033 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.384 -0.474 -1.476 1.00 0.00 C ATOM 0 H VAL A2647 3.128 -1.935 -3.546 1.00 0.00 H new ATOM 0 HA VAL A2647 2.824 -3.216 -1.039 1.00 0.00 H new ATOM 0 HB VAL A2647 1.380 -0.760 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.314 -0.053 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.467 -1.598 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.090 -1.582 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.228 0.568 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.092 -0.932 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.782 -0.524 -2.489 1.00 0.00 H new ATOM 297 N PRO A2648 0.622 -4.406 -1.097 1.00 0.00 N ATOM 298 CA PRO A2648 -0.668 -5.109 -1.073 1.00 0.00 C ATOM 299 C PRO A2648 -1.795 -4.235 -0.523 1.00 0.00 C ATOM 300 O PRO A2648 -1.638 -3.561 0.504 1.00 0.00 O ATOM 301 CB PRO A2648 -0.425 -6.302 -0.135 1.00 0.00 C ATOM 302 CG PRO A2648 1.055 -6.391 0.023 1.00 0.00 C ATOM 303 CD PRO A2648 1.572 -4.992 -0.147 1.00 0.00 C ATOM 0 HA PRO A2648 -0.982 -5.397 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -0.914 -6.150 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.830 -7.222 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.320 -6.789 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.488 -7.060 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.586 -4.449 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.590 -4.982 -0.536 1.00 0.00 H new ATOM 311 N VAL A2649 -2.934 -4.253 -1.209 1.00 0.00 N ATOM 312 CA VAL A2649 -4.091 -3.467 -0.797 1.00 0.00 C ATOM 313 C VAL A2649 -5.269 -4.358 -0.432 1.00 0.00 C ATOM 314 O VAL A2649 -5.473 -5.416 -1.030 1.00 0.00 O ATOM 315 CB VAL A2649 -4.524 -2.496 -1.913 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.387 -1.548 -2.264 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.981 -3.264 -3.146 1.00 0.00 C ATOM 0 H VAL A2649 -3.080 -4.805 -2.054 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.790 -2.899 0.083 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.365 -1.906 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.710 -0.869 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.108 -0.972 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.527 -2.123 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.282 -2.560 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.162 -3.881 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.826 -3.901 -2.885 1.00 0.00 H new ATOM 327 N VAL A2650 -6.055 -3.914 0.543 1.00 0.00 N ATOM 328 CA VAL A2650 -7.227 -4.661 0.974 1.00 0.00 C ATOM 329 C VAL A2650 -8.473 -3.786 0.930 1.00 0.00 C ATOM 330 O VAL A2650 -8.489 -2.682 1.480 1.00 0.00 O ATOM 331 CB VAL A2650 -7.079 -5.253 2.401 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.119 -6.776 2.357 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.803 -4.773 3.081 1.00 0.00 C ATOM 0 H VAL A2650 -5.901 -3.041 1.048 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.324 -5.492 0.275 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.922 -4.896 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.014 -7.172 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.070 -7.103 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.302 -7.144 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.736 -5.209 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.939 -5.080 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.820 -3.686 3.161 1.00 0.00 H new ATOM 343 N ASN A2651 -9.516 -4.289 0.278 1.00 0.00 N ATOM 344 CA ASN A2651 -10.768 -3.553 0.180 1.00 0.00 C ATOM 345 C ASN A2651 -11.397 -3.440 1.558 1.00 0.00 C ATOM 346 O ASN A2651 -11.396 -4.393 2.337 1.00 0.00 O ATOM 347 CB ASN A2651 -11.743 -4.206 -0.801 1.00 0.00 C ATOM 348 CG ASN A2651 -12.623 -3.173 -1.483 1.00 0.00 C ATOM 349 OD1 ASN A2651 -12.137 -2.171 -2.000 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.926 -3.402 -1.479 1.00 0.00 N ATOM 0 H ASN A2651 -9.518 -5.197 -0.187 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.546 -2.558 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.185 -4.763 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -12.368 -4.924 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.562 -2.735 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -14.294 -4.246 -1.040 1.00 0.00 H new ATOM 357 N LYS A2652 -11.887 -2.255 1.866 1.00 0.00 N ATOM 358 CA LYS A2652 -12.474 -1.982 3.167 1.00 0.00 C ATOM 359 C LYS A2652 -13.836 -2.641 3.356 1.00 0.00 C ATOM 360 O LYS A2652 -14.225 -2.943 4.483 1.00 0.00 O ATOM 361 CB LYS A2652 -12.590 -0.470 3.371 1.00 0.00 C ATOM 362 CG LYS A2652 -11.395 0.311 2.839 1.00 0.00 C ATOM 363 CD LYS A2652 -10.631 1.001 3.960 1.00 0.00 C ATOM 364 CE LYS A2652 -10.259 2.428 3.587 1.00 0.00 C ATOM 365 NZ LYS A2652 -11.262 3.411 4.080 1.00 0.00 N ATOM 0 H LYS A2652 -11.891 -1.459 1.228 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.811 -2.414 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.495 -0.114 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.704 -0.263 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.727 -0.365 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.737 1.055 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -11.238 1.007 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -9.727 0.436 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -9.281 2.668 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -10.174 2.509 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -10.971 4.371 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -12.191 3.198 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -11.326 3.352 5.116 1.00 0.00 H new ATOM 379 N ARG A2653 -14.581 -2.835 2.272 1.00 0.00 N ATOM 380 CA ARG A2653 -15.912 -3.424 2.369 1.00 0.00 C ATOM 381 C ARG A2653 -15.892 -4.953 2.402 1.00 0.00 C ATOM 382 O ARG A2653 -16.385 -5.561 3.351 1.00 0.00 O ATOM 383 CB ARG A2653 -16.778 -2.945 1.202 1.00 0.00 C ATOM 384 CG ARG A2653 -18.130 -2.397 1.632 1.00 0.00 C ATOM 385 CD ARG A2653 -18.366 -0.997 1.086 1.00 0.00 C ATOM 386 NE ARG A2653 -19.769 -0.601 1.183 1.00 0.00 N ATOM 387 CZ ARG A2653 -20.190 0.660 1.114 1.00 0.00 C ATOM 388 NH1 ARG A2653 -19.321 1.649 0.944 1.00 0.00 N ATOM 389 NH2 ARG A2653 -21.484 0.934 1.213 1.00 0.00 N ATOM 0 H ARG A2653 -14.289 -2.595 1.324 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.334 -3.092 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.239 -2.172 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -16.934 -3.774 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.920 -3.062 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -18.186 -2.378 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -17.750 -0.285 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.049 -0.956 0.044 1.00 0.00 H new ATOM 0 HE ARG A2653 -20.467 -1.334 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -18.325 1.445 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -19.650 2.613 0.892 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -22.157 0.178 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -21.806 1.900 1.160 1.00 0.00 H new ATOM 403 N ASN A2654 -15.363 -5.579 1.351 1.00 0.00 N ATOM 404 CA ASN A2654 -15.346 -7.042 1.283 1.00 0.00 C ATOM 405 C ASN A2654 -13.995 -7.645 1.665 1.00 0.00 C ATOM 406 O ASN A2654 -13.862 -8.867 1.727 1.00 0.00 O ATOM 407 CB ASN A2654 -15.758 -7.523 -0.110 1.00 0.00 C ATOM 408 CG ASN A2654 -14.882 -6.965 -1.210 1.00 0.00 C ATOM 409 OD1 ASN A2654 -14.669 -5.758 -1.295 1.00 0.00 O ATOM 410 ND2 ASN A2654 -14.371 -7.844 -2.062 1.00 0.00 N ATOM 0 H ASN A2654 -14.947 -5.107 0.548 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.070 -7.390 2.020 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -15.719 -8.612 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.793 -7.236 -0.296 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.774 -7.526 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -14.575 -8.838 -1.953 1.00 0.00 H new ATOM 417 N GLY A2655 -13.001 -6.808 1.946 1.00 0.00 N ATOM 418 CA GLY A2655 -11.703 -7.326 2.341 1.00 0.00 C ATOM 419 C GLY A2655 -10.865 -7.842 1.185 1.00 0.00 C ATOM 420 O GLY A2655 -9.865 -8.525 1.407 1.00 0.00 O ATOM 0 H GLY A2655 -13.069 -5.791 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.150 -6.539 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -11.849 -8.133 3.059 1.00 0.00 H new ATOM 424 N LYS A2656 -11.251 -7.515 -0.049 1.00 0.00 N ATOM 425 CA LYS A2656 -10.490 -7.958 -1.220 1.00 0.00 C ATOM 426 C LYS A2656 -9.006 -7.677 -1.011 1.00 0.00 C ATOM 427 O LYS A2656 -8.600 -6.525 -0.899 1.00 0.00 O ATOM 428 CB LYS A2656 -10.984 -7.246 -2.481 1.00 0.00 C ATOM 429 CG LYS A2656 -10.829 -8.074 -3.747 1.00 0.00 C ATOM 430 CD LYS A2656 -12.128 -8.765 -4.126 1.00 0.00 C ATOM 431 CE LYS A2656 -11.917 -9.775 -5.243 1.00 0.00 C ATOM 432 NZ LYS A2656 -13.180 -10.473 -5.608 1.00 0.00 N ATOM 0 H LYS A2656 -12.075 -6.953 -0.263 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.638 -9.031 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -12.035 -6.986 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.436 -6.311 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -10.506 -7.431 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -10.048 -8.820 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -12.542 -9.268 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -12.859 -8.020 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -11.517 -9.267 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -11.173 -10.509 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -12.993 -11.153 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -13.549 -10.979 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -13.882 -9.776 -5.929 1.00 0.00 H new ATOM 446 N LYS A2657 -8.198 -8.728 -0.946 1.00 0.00 N ATOM 447 CA LYS A2657 -6.765 -8.565 -0.726 1.00 0.00 C ATOM 448 C LYS A2657 -5.959 -8.876 -1.981 1.00 0.00 C ATOM 449 O LYS A2657 -6.090 -9.949 -2.569 1.00 0.00 O ATOM 450 CB LYS A2657 -6.302 -9.464 0.421 1.00 0.00 C ATOM 451 CG LYS A2657 -5.012 -9.000 1.077 1.00 0.00 C ATOM 452 CD LYS A2657 -3.886 -10.001 0.868 1.00 0.00 C ATOM 453 CE LYS A2657 -3.137 -9.737 -0.430 1.00 0.00 C ATOM 454 NZ LYS A2657 -3.208 -10.899 -1.360 1.00 0.00 N ATOM 0 H LYS A2657 -8.507 -9.696 -1.042 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.591 -7.521 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -7.087 -9.509 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.164 -10.477 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.721 -8.033 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -5.178 -8.855 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -3.192 -9.949 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -4.294 -11.012 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -3.555 -8.856 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -2.094 -9.513 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -2.390 -10.880 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -3.197 -11.783 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -4.086 -10.846 -1.915 1.00 0.00 H new ATOM 468 N MET A2658 -5.115 -7.930 -2.373 1.00 0.00 N ATOM 469 CA MET A2658 -4.269 -8.096 -3.548 1.00 0.00 C ATOM 470 C MET A2658 -2.835 -7.688 -3.237 1.00 0.00 C ATOM 471 O MET A2658 -2.513 -6.500 -3.179 1.00 0.00 O ATOM 472 CB MET A2658 -4.800 -7.271 -4.719 1.00 0.00 C ATOM 473 CG MET A2658 -6.318 -7.234 -4.807 1.00 0.00 C ATOM 474 SD MET A2658 -6.908 -6.447 -6.319 1.00 0.00 S ATOM 475 CE MET A2658 -7.119 -4.759 -5.760 1.00 0.00 C ATOM 0 H MET A2658 -4.998 -7.038 -1.893 1.00 0.00 H new ATOM 0 HA MET A2658 -4.284 -9.150 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.426 -6.251 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.402 -7.678 -5.648 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.706 -8.251 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.715 -6.698 -3.945 1.00 0.00 H new ATOM 0 HE1 MET A2658 -8.133 -4.427 -5.980 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.946 -4.707 -4.685 1.00 0.00 H new ATOM 0 HE3 MET A2658 -6.406 -4.114 -6.274 1.00 0.00 H new ATOM 526 N ALA A2663 -1.003 -5.742 -7.100 1.00 0.00 N ATOM 527 CA ALA A2663 -0.968 -4.703 -6.080 1.00 0.00 C ATOM 528 C ALA A2663 -0.245 -3.456 -6.583 1.00 0.00 C ATOM 529 O ALA A2663 0.664 -3.544 -7.409 1.00 0.00 O ATOM 530 CB ALA A2663 -0.308 -5.229 -4.816 1.00 0.00 C ATOM 0 HA ALA A2663 -1.995 -4.421 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -0.288 -4.443 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.873 -6.081 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A2663 0.712 -5.542 -5.041 1.00 0.00 H new ATOM 536 N PRO A2664 -0.650 -2.272 -6.093 1.00 0.00 N ATOM 537 CA PRO A2664 -0.050 -0.993 -6.496 1.00 0.00 C ATOM 538 C PRO A2664 1.432 -0.884 -6.143 1.00 0.00 C ATOM 539 O PRO A2664 1.876 -1.400 -5.116 1.00 0.00 O ATOM 540 CB PRO A2664 -0.852 0.047 -5.707 1.00 0.00 C ATOM 541 CG PRO A2664 -1.460 -0.710 -4.577 1.00 0.00 C ATOM 542 CD PRO A2664 -1.733 -2.083 -5.114 1.00 0.00 C ATOM 0 HA PRO A2664 -0.091 -0.865 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.209 0.849 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.618 0.510 -6.329 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.784 -0.750 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.378 -0.233 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.704 -2.838 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.716 -2.147 -5.581 1.00 0.00 H new ATOM 550 N PRO A2665 2.218 -0.193 -6.992 1.00 0.00 N ATOM 551 CA PRO A2665 3.644 -0.001 -6.768 1.00 0.00 C ATOM 552 C PRO A2665 3.926 1.215 -5.891 1.00 0.00 C ATOM 553 O PRO A2665 3.215 2.219 -5.950 1.00 0.00 O ATOM 554 CB PRO A2665 4.179 0.210 -8.180 1.00 0.00 C ATOM 555 CG PRO A2665 3.060 0.871 -8.918 1.00 0.00 C ATOM 556 CD PRO A2665 1.774 0.464 -8.235 1.00 0.00 C ATOM 0 HA PRO A2665 4.105 -0.837 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.073 0.834 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.454 -0.737 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.177 1.955 -8.904 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.054 0.564 -9.964 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.143 1.328 -8.026 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.190 -0.214 -8.857 1.00 0.00 H new ATOM 564 N MET A2666 4.958 1.107 -5.062 1.00 0.00 N ATOM 565 CA MET A2666 5.333 2.180 -4.145 1.00 0.00 C ATOM 566 C MET A2666 5.319 3.553 -4.816 1.00 0.00 C ATOM 567 O MET A2666 4.720 4.496 -4.297 1.00 0.00 O ATOM 568 CB MET A2666 6.722 1.914 -3.565 1.00 0.00 C ATOM 569 CG MET A2666 6.807 2.140 -2.067 1.00 0.00 C ATOM 570 SD MET A2666 6.292 0.689 -1.132 1.00 0.00 S ATOM 571 CE MET A2666 5.806 1.436 0.419 1.00 0.00 C ATOM 0 H MET A2666 5.554 0.281 -5.005 1.00 0.00 H new ATOM 0 HA MET A2666 4.589 2.192 -3.349 1.00 0.00 H new ATOM 0 HB2 MET A2666 7.008 0.886 -3.786 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.445 2.560 -4.063 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.831 2.400 -1.798 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.180 2.989 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.331 0.686 1.051 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.687 1.831 0.924 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.103 2.247 0.228 1.00 0.00 H new ATOM 581 N LYS A2667 6.007 3.676 -5.948 1.00 0.00 N ATOM 582 CA LYS A2667 6.094 4.955 -6.649 1.00 0.00 C ATOM 583 C LYS A2667 4.763 5.405 -7.271 1.00 0.00 C ATOM 584 O LYS A2667 4.689 6.492 -7.844 1.00 0.00 O ATOM 585 CB LYS A2667 7.187 4.888 -7.720 1.00 0.00 C ATOM 586 CG LYS A2667 6.762 4.182 -8.998 1.00 0.00 C ATOM 587 CD LYS A2667 6.843 5.110 -10.201 1.00 0.00 C ATOM 588 CE LYS A2667 7.778 4.561 -11.266 1.00 0.00 C ATOM 589 NZ LYS A2667 7.704 5.345 -12.529 1.00 0.00 N ATOM 0 H LYS A2667 6.510 2.911 -6.398 1.00 0.00 H new ATOM 0 HA LYS A2667 6.348 5.706 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.503 5.902 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.055 4.375 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A2667 7.399 3.313 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A2667 5.742 3.814 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A2667 5.848 5.246 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.191 6.092 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.801 4.573 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A2667 7.525 3.520 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 8.357 4.938 -13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 6.733 5.313 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 7.970 6.333 -12.341 1.00 0.00 H new ATOM 603 N ASP A2668 3.717 4.584 -7.173 1.00 0.00 N ATOM 604 CA ASP A2668 2.418 4.950 -7.750 1.00 0.00 C ATOM 605 C ASP A2668 1.263 4.749 -6.763 1.00 0.00 C ATOM 606 O ASP A2668 0.103 4.974 -7.107 1.00 0.00 O ATOM 607 CB ASP A2668 2.158 4.141 -9.021 1.00 0.00 C ATOM 608 CG ASP A2668 1.345 4.913 -10.042 1.00 0.00 C ATOM 609 OD1 ASP A2668 1.953 5.604 -10.885 1.00 0.00 O ATOM 610 OD2 ASP A2668 0.100 4.826 -9.997 1.00 0.00 O ATOM 0 H ASP A2668 3.739 3.676 -6.709 1.00 0.00 H new ATOM 0 HA ASP A2668 2.463 6.012 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A2668 3.110 3.850 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.633 3.222 -8.762 1.00 0.00 H new ATOM 615 N LEU A2669 1.582 4.317 -5.547 1.00 0.00 N ATOM 616 CA LEU A2669 0.566 4.076 -4.519 1.00 0.00 C ATOM 617 C LEU A2669 -0.490 5.188 -4.460 1.00 0.00 C ATOM 618 O LEU A2669 -1.683 4.905 -4.361 1.00 0.00 O ATOM 619 CB LEU A2669 1.222 3.928 -3.144 1.00 0.00 C ATOM 620 CG LEU A2669 2.125 2.707 -2.981 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.898 2.789 -1.674 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.304 1.431 -3.038 1.00 0.00 C ATOM 0 H LEU A2669 2.537 4.125 -5.245 1.00 0.00 H new ATOM 0 HA LEU A2669 0.059 3.151 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.809 4.824 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.438 3.883 -2.388 1.00 0.00 H new ATOM 0 HG LEU A2669 2.841 2.692 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.537 1.911 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.514 3.688 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.198 2.826 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A2669 1.962 0.570 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.566 1.437 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.794 1.369 -3.999 1.00 0.00 H new ATOM 634 N PRO A2670 -0.073 6.470 -4.502 1.00 0.00 N ATOM 635 CA PRO A2670 -1.003 7.608 -4.430 1.00 0.00 C ATOM 636 C PRO A2670 -1.968 7.666 -5.612 1.00 0.00 C ATOM 637 O PRO A2670 -3.109 8.121 -5.478 1.00 0.00 O ATOM 638 CB PRO A2670 -0.083 8.837 -4.443 1.00 0.00 C ATOM 639 CG PRO A2670 1.266 8.321 -4.078 1.00 0.00 C ATOM 640 CD PRO A2670 1.326 6.917 -4.604 1.00 0.00 C ATOM 0 HA PRO A2670 -1.639 7.539 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.071 9.309 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.422 9.590 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A2670 2.051 8.936 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.412 8.340 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.687 6.885 -5.632 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.995 6.292 -4.012 1.00 0.00 H new ATOM 648 N ARG A2671 -1.518 7.173 -6.759 1.00 0.00 N ATOM 649 CA ARG A2671 -2.351 7.153 -7.950 1.00 0.00 C ATOM 650 C ARG A2671 -3.355 6.020 -7.850 1.00 0.00 C ATOM 651 O ARG A2671 -4.563 6.222 -7.982 1.00 0.00 O ATOM 652 CB ARG A2671 -1.489 6.990 -9.205 1.00 0.00 C ATOM 653 CG ARG A2671 -1.372 8.261 -10.032 1.00 0.00 C ATOM 654 CD ARG A2671 0.062 8.769 -10.090 1.00 0.00 C ATOM 655 NE ARG A2671 0.506 8.995 -11.464 1.00 0.00 N ATOM 656 CZ ARG A2671 1.561 9.739 -11.788 1.00 0.00 C ATOM 657 NH1 ARG A2671 2.281 10.331 -10.843 1.00 0.00 N ATOM 658 NH2 ARG A2671 1.897 9.891 -13.062 1.00 0.00 N ATOM 0 H ARG A2671 -0.584 6.784 -6.888 1.00 0.00 H new ATOM 0 HA ARG A2671 -2.886 8.100 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.491 6.665 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.912 6.200 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -1.731 8.071 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -2.014 9.032 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A2671 0.141 9.698 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A2671 0.722 8.047 -9.609 1.00 0.00 H new ATOM 0 HE ARG A2671 -0.023 8.557 -12.218 1.00 0.00 H new ATOM 0 HH11 ARG A2671 2.027 10.217 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A2671 3.088 10.900 -11.098 1.00 0.00 H new ATOM 0 HH21 ARG A2671 1.347 9.438 -13.792 1.00 0.00 H new ATOM 0 HH22 ARG A2671 2.705 10.461 -13.312 1.00 0.00 H new ATOM 672 N TRP A2672 -2.838 4.826 -7.603 1.00 0.00 N ATOM 673 CA TRP A2672 -3.671 3.647 -7.471 1.00 0.00 C ATOM 674 C TRP A2672 -4.701 3.833 -6.369 1.00 0.00 C ATOM 675 O TRP A2672 -5.878 3.525 -6.555 1.00 0.00 O ATOM 676 CB TRP A2672 -2.802 2.432 -7.179 1.00 0.00 C ATOM 677 CG TRP A2672 -3.559 1.142 -7.156 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.570 0.184 -8.125 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.398 0.661 -6.102 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.368 -0.867 -7.740 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.887 -0.596 -6.500 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.783 1.171 -4.859 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.739 -1.350 -5.698 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.629 0.422 -4.066 1.00 0.00 C ATOM 685 CH2 TRP A2672 -6.098 -0.828 -4.487 1.00 0.00 C ATOM 0 H TRP A2672 -1.840 4.651 -7.490 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.203 3.491 -8.410 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.017 2.369 -7.932 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.310 2.571 -6.216 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.031 0.242 -9.059 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.545 -1.710 -8.287 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.425 2.134 -4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -6.104 -2.314 -6.021 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.934 0.807 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.756 -1.391 -3.842 1.00 0.00 H new ATOM 696 N LEU A2673 -4.263 4.345 -5.221 1.00 0.00 N ATOM 697 CA LEU A2673 -5.181 4.567 -4.117 1.00 0.00 C ATOM 698 C LEU A2673 -6.265 5.542 -4.541 1.00 0.00 C ATOM 699 O LEU A2673 -7.454 5.241 -4.433 1.00 0.00 O ATOM 700 CB LEU A2673 -4.443 5.081 -2.887 1.00 0.00 C ATOM 701 CG LEU A2673 -4.216 4.019 -1.817 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.545 3.510 -1.280 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.394 2.869 -2.379 1.00 0.00 C ATOM 0 H LEU A2673 -3.295 4.609 -5.036 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.643 3.617 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.479 5.484 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -5.009 5.905 -2.453 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.663 4.471 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -5.363 2.753 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -6.102 4.339 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -6.123 3.073 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -3.240 2.119 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.924 2.419 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.428 3.244 -2.718 1.00 0.00 H new ATOM 715 N GLU A2674 -5.860 6.712 -5.037 1.00 0.00 N ATOM 716 CA GLU A2674 -6.827 7.708 -5.486 1.00 0.00 C ATOM 717 C GLU A2674 -7.844 7.061 -6.422 1.00 0.00 C ATOM 718 O GLU A2674 -9.010 7.452 -6.462 1.00 0.00 O ATOM 719 CB GLU A2674 -6.116 8.864 -6.193 1.00 0.00 C ATOM 720 CG GLU A2674 -5.920 10.087 -5.311 1.00 0.00 C ATOM 721 CD GLU A2674 -5.548 11.324 -6.104 1.00 0.00 C ATOM 722 OE1 GLU A2674 -6.341 11.729 -6.980 1.00 0.00 O ATOM 723 OE2 GLU A2674 -4.464 11.890 -5.848 1.00 0.00 O ATOM 0 H GLU A2674 -4.883 6.989 -5.136 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.349 8.106 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.143 8.521 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.691 9.150 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -6.837 10.279 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -5.139 9.881 -4.579 1.00 0.00 H new ATOM 730 N GLU A2675 -7.381 6.063 -7.170 1.00 0.00 N ATOM 731 CA GLU A2675 -8.230 5.343 -8.110 1.00 0.00 C ATOM 732 C GLU A2675 -9.073 4.282 -7.402 1.00 0.00 C ATOM 733 O GLU A2675 -10.138 3.901 -7.891 1.00 0.00 O ATOM 734 CB GLU A2675 -7.368 4.686 -9.191 1.00 0.00 C ATOM 735 CG GLU A2675 -7.413 5.407 -10.527 1.00 0.00 C ATOM 736 CD GLU A2675 -6.353 4.912 -11.493 1.00 0.00 C ATOM 737 OE1 GLU A2675 -5.178 4.809 -11.082 1.00 0.00 O ATOM 738 OE2 GLU A2675 -6.698 4.627 -12.658 1.00 0.00 O ATOM 0 H GLU A2675 -6.416 5.734 -7.141 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.909 6.061 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.335 4.644 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.699 3.657 -9.332 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -8.398 5.274 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -7.279 6.476 -10.363 1.00 0.00 H new ATOM 745 N ASN A2676 -8.595 3.801 -6.256 1.00 0.00 N ATOM 746 CA ASN A2676 -9.315 2.780 -5.500 1.00 0.00 C ATOM 747 C ASN A2676 -9.665 3.274 -4.096 1.00 0.00 C ATOM 748 O ASN A2676 -9.006 2.913 -3.119 1.00 0.00 O ATOM 749 CB ASN A2676 -8.476 1.504 -5.407 1.00 0.00 C ATOM 750 CG ASN A2676 -8.263 0.853 -6.760 1.00 0.00 C ATOM 751 OD1 ASN A2676 -9.087 0.060 -7.217 1.00 0.00 O ATOM 752 ND2 ASN A2676 -7.152 1.184 -7.407 1.00 0.00 N ATOM 0 H ASN A2676 -7.717 4.100 -5.833 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.244 2.565 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.508 1.740 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.968 0.796 -4.740 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.953 0.777 -8.321 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.497 1.846 -6.990 1.00 0.00 H new ATOM 759 N PRO A2677 -10.716 4.102 -3.975 1.00 0.00 N ATOM 760 CA PRO A2677 -11.155 4.641 -2.681 1.00 0.00 C ATOM 761 C PRO A2677 -11.673 3.553 -1.744 1.00 0.00 C ATOM 762 O PRO A2677 -11.668 3.718 -0.525 1.00 0.00 O ATOM 763 CB PRO A2677 -12.286 5.605 -3.056 1.00 0.00 C ATOM 764 CG PRO A2677 -12.768 5.133 -4.385 1.00 0.00 C ATOM 765 CD PRO A2677 -11.561 4.577 -5.085 1.00 0.00 C ATOM 0 HA PRO A2677 -10.335 5.116 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.085 5.583 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -11.928 6.633 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.540 4.372 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.208 5.952 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.827 3.767 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -11.055 5.337 -5.680 1.00 0.00 H new ATOM 773 N GLU A2678 -12.118 2.441 -2.322 1.00 0.00 N ATOM 774 CA GLU A2678 -12.637 1.325 -1.539 1.00 0.00 C ATOM 775 C GLU A2678 -11.511 0.442 -1.012 1.00 0.00 C ATOM 776 O GLU A2678 -11.759 -0.527 -0.296 1.00 0.00 O ATOM 777 CB GLU A2678 -13.594 0.488 -2.388 1.00 0.00 C ATOM 778 CG GLU A2678 -14.709 1.298 -3.027 1.00 0.00 C ATOM 779 CD GLU A2678 -16.016 1.193 -2.265 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.158 1.881 -1.233 1.00 0.00 O ATOM 781 OE2 GLU A2678 -16.897 0.423 -2.701 1.00 0.00 O ATOM 0 H GLU A2678 -12.129 2.289 -3.331 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.173 1.739 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.026 -0.014 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.034 -0.290 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.408 2.344 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.861 0.956 -4.051 1.00 0.00 H new ATOM 788 N PHE A2679 -10.273 0.766 -1.377 1.00 0.00 N ATOM 789 CA PHE A2679 -9.131 -0.028 -0.943 1.00 0.00 C ATOM 790 C PHE A2679 -8.176 0.762 -0.061 1.00 0.00 C ATOM 791 O PHE A2679 -8.138 1.991 -0.095 1.00 0.00 O ATOM 792 CB PHE A2679 -8.384 -0.568 -2.158 1.00 0.00 C ATOM 793 CG PHE A2679 -9.024 -1.792 -2.733 1.00 0.00 C ATOM 794 CD1 PHE A2679 -8.566 -3.050 -2.387 1.00 0.00 C ATOM 795 CD2 PHE A2679 -10.093 -1.682 -3.605 1.00 0.00 C ATOM 796 CE1 PHE A2679 -9.165 -4.182 -2.899 1.00 0.00 C ATOM 797 CE2 PHE A2679 -10.695 -2.813 -4.125 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.230 -4.066 -3.770 1.00 0.00 C ATOM 0 H PHE A2679 -10.038 1.565 -1.966 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.519 -0.853 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.337 0.206 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.357 -0.799 -1.875 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -7.731 -3.147 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -10.460 -0.705 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -8.801 -5.159 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -11.527 -2.718 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.699 -4.952 -4.173 1.00 0.00 H new ATOM 808 N ALA A2680 -7.396 0.025 0.720 1.00 0.00 N ATOM 809 CA ALA A2680 -6.412 0.615 1.616 1.00 0.00 C ATOM 810 C ALA A2680 -5.158 -0.257 1.656 1.00 0.00 C ATOM 811 O ALA A2680 -5.121 -1.314 1.026 1.00 0.00 O ATOM 812 CB ALA A2680 -7.007 0.809 3.000 1.00 0.00 C ATOM 0 H ALA A2680 -7.428 -0.994 0.750 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.126 1.598 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.259 1.251 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.870 1.471 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.319 -0.156 3.401 1.00 0.00 H new ATOM 818 N VAL A2681 -4.121 0.188 2.361 1.00 0.00 N ATOM 819 CA VAL A2681 -2.867 -0.562 2.426 1.00 0.00 C ATOM 820 C VAL A2681 -2.783 -1.469 3.654 1.00 0.00 C ATOM 821 O VAL A2681 -3.182 -1.082 4.751 1.00 0.00 O ATOM 822 CB VAL A2681 -1.667 0.398 2.453 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.365 -0.375 2.419 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.744 1.385 1.298 1.00 0.00 C ATOM 0 H VAL A2681 -4.122 1.058 2.893 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.842 -1.187 1.534 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.700 0.964 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.473 0.322 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.310 -1.033 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.319 -0.971 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -0.886 2.056 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -1.739 0.841 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.663 1.967 1.377 1.00 0.00 H new ATOM 834 N ALA A2682 -2.256 -2.679 3.454 1.00 0.00 N ATOM 835 CA ALA A2682 -2.117 -3.653 4.543 1.00 0.00 C ATOM 836 C ALA A2682 -1.415 -3.050 5.768 1.00 0.00 C ATOM 837 O ALA A2682 -0.657 -2.085 5.655 1.00 0.00 O ATOM 838 CB ALA A2682 -1.363 -4.880 4.054 1.00 0.00 C ATOM 0 H ALA A2682 -1.918 -3.009 2.550 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.120 -3.945 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.265 -5.596 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.911 -5.340 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.372 -4.585 3.710 1.00 0.00 H new ATOM 844 N PRO A2683 -1.674 -3.622 6.963 1.00 0.00 N ATOM 845 CA PRO A2683 -1.094 -3.154 8.236 1.00 0.00 C ATOM 846 C PRO A2683 0.428 -3.016 8.209 1.00 0.00 C ATOM 847 O PRO A2683 0.963 -1.957 8.527 1.00 0.00 O ATOM 848 CB PRO A2683 -1.514 -4.230 9.250 1.00 0.00 C ATOM 849 CG PRO A2683 -2.027 -5.372 8.436 1.00 0.00 C ATOM 850 CD PRO A2683 -2.565 -4.769 7.174 1.00 0.00 C ATOM 0 HA PRO A2683 -1.450 -2.152 8.475 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.670 -4.537 9.868 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.283 -3.854 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.232 -6.086 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.805 -5.915 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.527 -5.471 6.341 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.605 -4.460 7.283 1.00 0.00 H new ATOM 858 N ASP A2684 1.127 -4.076 7.830 1.00 0.00 N ATOM 859 CA ASP A2684 2.584 -4.029 7.769 1.00 0.00 C ATOM 860 C ASP A2684 3.026 -3.059 6.679 1.00 0.00 C ATOM 861 O ASP A2684 4.154 -2.542 6.682 1.00 0.00 O ATOM 862 CB ASP A2684 3.155 -5.423 7.497 1.00 0.00 C ATOM 863 CG ASP A2684 4.554 -5.594 8.056 1.00 0.00 C ATOM 864 OD1 ASP A2684 5.519 -5.547 7.264 1.00 0.00 O ATOM 865 OD2 ASP A2684 4.685 -5.773 9.285 1.00 0.00 O ATOM 0 H ASP A2684 0.716 -4.971 7.562 1.00 0.00 H new ATOM 0 HA ASP A2684 2.963 -3.683 8.730 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.497 -6.174 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A2684 3.172 -5.602 6.422 1.00 0.00 H new ATOM 870 N TRP A2685 2.101 -2.761 5.779 1.00 0.00 N ATOM 871 CA TRP A2685 2.369 -1.825 4.718 1.00 0.00 C ATOM 872 C TRP A2685 1.933 -0.430 5.141 1.00 0.00 C ATOM 873 O TRP A2685 2.303 0.558 4.526 1.00 0.00 O ATOM 874 CB TRP A2685 1.701 -2.285 3.431 1.00 0.00 C ATOM 875 CG TRP A2685 2.417 -3.451 2.834 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.123 -4.773 3.006 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.572 -3.401 1.991 1.00 0.00 C ATOM 878 NE1 TRP A2685 3.024 -5.547 2.319 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.922 -4.729 1.685 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.342 -2.360 1.461 1.00 0.00 C ATOM 881 CZ2 TRP A2685 5.008 -5.045 0.875 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.422 -2.676 0.657 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.745 -4.008 0.370 1.00 0.00 C ATOM 0 H TRP A2685 1.161 -3.158 5.769 1.00 0.00 H new ATOM 0 HA TRP A2685 3.440 -1.783 4.520 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.665 -2.557 3.634 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.681 -1.463 2.716 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.302 -5.154 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A2685 3.025 -6.566 2.286 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.098 -1.330 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.260 -6.071 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 6.026 -1.882 0.244 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.593 -4.222 -0.263 1.00 0.00 H new ATOM 894 N THR A2686 1.198 -0.357 6.245 1.00 0.00 N ATOM 895 CA THR A2686 0.791 0.921 6.792 1.00 0.00 C ATOM 896 C THR A2686 2.055 1.634 7.250 1.00 0.00 C ATOM 897 O THR A2686 2.284 2.804 6.940 1.00 0.00 O ATOM 898 CB THR A2686 -0.179 0.715 7.965 1.00 0.00 C ATOM 899 OG1 THR A2686 -1.507 0.581 7.497 1.00 0.00 O ATOM 900 CG2 THR A2686 -0.164 1.836 8.985 1.00 0.00 C ATOM 0 H THR A2686 0.875 -1.168 6.773 1.00 0.00 H new ATOM 0 HA THR A2686 0.268 1.517 6.044 1.00 0.00 H new ATOM 0 HB THR A2686 0.168 -0.194 8.457 1.00 0.00 H new ATOM 0 HG1 THR A2686 -2.110 0.449 8.258 1.00 0.00 H new ATOM 0 HG21 THR A2686 -0.876 1.614 9.780 1.00 0.00 H new ATOM 0 HG22 THR A2686 0.836 1.929 9.409 1.00 0.00 H new ATOM 0 HG23 THR A2686 -0.441 2.772 8.501 1.00 0.00 H new ATOM 908 N ASP A2687 2.891 0.884 7.969 1.00 0.00 N ATOM 909 CA ASP A2687 4.157 1.401 8.455 1.00 0.00 C ATOM 910 C ASP A2687 5.147 1.518 7.303 1.00 0.00 C ATOM 911 O ASP A2687 5.744 2.578 7.098 1.00 0.00 O ATOM 912 CB ASP A2687 4.722 0.491 9.547 1.00 0.00 C ATOM 913 CG ASP A2687 4.408 0.996 10.942 1.00 0.00 C ATOM 914 OD1 ASP A2687 5.253 1.713 11.518 1.00 0.00 O ATOM 915 OD2 ASP A2687 3.317 0.674 11.458 1.00 0.00 O ATOM 0 H ASP A2687 2.707 -0.086 8.225 1.00 0.00 H new ATOM 0 HA ASP A2687 3.991 2.390 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.314 -0.513 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.803 0.412 9.427 1.00 0.00 H new ATOM 920 N ILE A2688 5.317 0.437 6.530 1.00 0.00 N ATOM 921 CA ILE A2688 6.234 0.476 5.395 1.00 0.00 C ATOM 922 C ILE A2688 5.880 1.635 4.459 1.00 0.00 C ATOM 923 O ILE A2688 6.711 2.504 4.178 1.00 0.00 O ATOM 924 CB ILE A2688 6.212 -0.859 4.614 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.681 -2.005 5.512 1.00 0.00 C ATOM 926 CG2 ILE A2688 7.083 -0.784 3.370 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.382 -3.378 4.947 1.00 0.00 C ATOM 0 H ILE A2688 4.841 -0.454 6.669 1.00 0.00 H new ATOM 0 HA ILE A2688 7.240 0.629 5.785 1.00 0.00 H new ATOM 0 HB ILE A2688 5.185 -1.046 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.755 -1.913 5.673 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.203 -1.910 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A2688 7.047 -1.737 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.716 0.007 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A2688 8.112 -0.568 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.742 -4.142 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.306 -3.490 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.882 -3.492 3.985 1.00 0.00 H new ATOM 939 N VAL A2689 4.637 1.650 3.988 1.00 0.00 N ATOM 940 CA VAL A2689 4.174 2.707 3.097 1.00 0.00 C ATOM 941 C VAL A2689 4.361 4.076 3.739 1.00 0.00 C ATOM 942 O VAL A2689 4.760 5.032 3.075 1.00 0.00 O ATOM 943 CB VAL A2689 2.701 2.510 2.682 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.177 3.731 1.943 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.564 1.270 1.814 1.00 0.00 C ATOM 0 H VAL A2689 3.934 0.944 4.208 1.00 0.00 H new ATOM 0 HA VAL A2689 4.782 2.653 2.194 1.00 0.00 H new ATOM 0 HB VAL A2689 2.105 2.378 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.137 3.567 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.244 4.605 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.774 3.897 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.521 1.140 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.175 1.383 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.898 0.396 2.373 1.00 0.00 H new ATOM 955 N LYS A2690 4.090 4.179 5.038 1.00 0.00 N ATOM 956 CA LYS A2690 4.264 5.448 5.733 1.00 0.00 C ATOM 957 C LYS A2690 5.667 5.992 5.467 1.00 0.00 C ATOM 958 O LYS A2690 5.835 7.146 5.073 1.00 0.00 O ATOM 959 CB LYS A2690 4.040 5.276 7.238 1.00 0.00 C ATOM 960 CG LYS A2690 2.699 5.808 7.718 1.00 0.00 C ATOM 961 CD LYS A2690 2.841 6.607 9.004 1.00 0.00 C ATOM 962 CE LYS A2690 1.492 6.861 9.658 1.00 0.00 C ATOM 963 NZ LYS A2690 1.317 6.056 10.899 1.00 0.00 N ATOM 0 H LYS A2690 3.755 3.412 5.621 1.00 0.00 H new ATOM 0 HA LYS A2690 3.526 6.157 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.113 4.218 7.489 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.838 5.787 7.777 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.259 6.438 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A2690 2.014 4.976 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A2690 3.487 6.069 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.327 7.559 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A2690 1.397 7.920 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.696 6.620 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 0.385 6.257 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 1.382 5.044 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 2.062 6.304 11.581 1.00 0.00 H new ATOM 977 N GLN A2691 6.669 5.132 5.651 1.00 0.00 N ATOM 978 CA GLN A2691 8.063 5.488 5.398 1.00 0.00 C ATOM 979 C GLN A2691 8.365 5.544 3.895 1.00 0.00 C ATOM 980 O GLN A2691 9.390 6.079 3.477 1.00 0.00 O ATOM 981 CB GLN A2691 8.992 4.480 6.077 1.00 0.00 C ATOM 982 CG GLN A2691 9.174 4.727 7.566 1.00 0.00 C ATOM 983 CD GLN A2691 9.664 3.498 8.305 1.00 0.00 C ATOM 984 OE1 GLN A2691 10.692 3.535 8.980 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.928 2.400 8.178 1.00 0.00 N ATOM 0 H GLN A2691 6.537 4.175 5.978 1.00 0.00 H new ATOM 0 HA GLN A2691 8.235 6.481 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.595 3.476 5.930 1.00 0.00 H new ATOM 0 HB3 GLN A2691 9.967 4.512 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A2691 9.884 5.541 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.226 5.051 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A2691 8.083 2.416 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A2691 9.208 1.541 8.651 1.00 0.00 H new ATOM 994 N SER A2692 7.468 4.967 3.093 1.00 0.00 N ATOM 995 CA SER A2692 7.626 4.920 1.635 1.00 0.00 C ATOM 996 C SER A2692 8.057 6.251 1.039 1.00 0.00 C ATOM 997 O SER A2692 8.818 6.287 0.074 1.00 0.00 O ATOM 998 CB SER A2692 6.308 4.501 0.972 1.00 0.00 C ATOM 999 OG SER A2692 5.527 5.640 0.596 1.00 0.00 O ATOM 0 H SER A2692 6.616 4.521 3.432 1.00 0.00 H new ATOM 0 HA SER A2692 8.412 4.191 1.440 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.519 3.896 0.090 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.736 3.876 1.658 1.00 0.00 H new ATOM 0 HG SER A2692 4.931 5.886 1.334 1.00 0.00 H new ATOM 1005 N GLY A2693 7.561 7.340 1.597 1.00 0.00 N ATOM 1006 CA GLY A2693 7.902 8.643 1.066 1.00 0.00 C ATOM 1007 C GLY A2693 7.161 8.947 -0.230 1.00 0.00 C ATOM 1008 O GLY A2693 7.080 10.104 -0.643 1.00 0.00 O ATOM 0 H GLY A2693 6.934 7.349 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.666 9.408 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A2693 8.976 8.692 0.888 1.00 0.00 H new ATOM 1012 N PHE A2694 6.607 7.909 -0.874 1.00 0.00 N ATOM 1013 CA PHE A2694 5.864 8.093 -2.118 1.00 0.00 C ATOM 1014 C PHE A2694 4.429 8.458 -1.826 1.00 0.00 C ATOM 1015 O PHE A2694 3.783 9.136 -2.626 1.00 0.00 O ATOM 1016 CB PHE A2694 5.874 6.830 -2.983 1.00 0.00 C ATOM 1017 CG PHE A2694 7.208 6.173 -3.078 1.00 0.00 C ATOM 1018 CD1 PHE A2694 8.035 6.385 -4.170 1.00 0.00 C ATOM 1019 CD2 PHE A2694 7.634 5.347 -2.066 1.00 0.00 C ATOM 1020 CE1 PHE A2694 9.272 5.776 -4.241 1.00 0.00 C ATOM 1021 CE2 PHE A2694 8.866 4.734 -2.127 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.690 4.950 -3.218 1.00 0.00 C ATOM 0 H PHE A2694 6.662 6.942 -0.553 1.00 0.00 H new ATOM 0 HA PHE A2694 6.358 8.898 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.157 6.117 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.534 7.086 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.709 7.032 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A2694 6.995 5.176 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.911 5.946 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.188 4.086 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.658 4.473 -3.268 1.00 0.00 H new ATOM 1032 N VAL A2695 3.915 8.017 -0.683 1.00 0.00 N ATOM 1033 CA VAL A2695 2.536 8.325 -0.324 1.00 0.00 C ATOM 1034 C VAL A2695 2.466 9.506 0.643 1.00 0.00 C ATOM 1035 O VAL A2695 3.197 9.548 1.633 1.00 0.00 O ATOM 1036 CB VAL A2695 1.836 7.117 0.325 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.328 7.302 0.306 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.228 5.826 -0.377 1.00 0.00 C ATOM 0 H VAL A2695 4.422 7.455 0.000 1.00 0.00 H new ATOM 0 HA VAL A2695 2.025 8.581 -1.252 1.00 0.00 H new ATOM 0 HB VAL A2695 2.161 7.050 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.150 6.439 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.065 8.203 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A2695 -0.014 7.397 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.722 4.985 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.937 5.879 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.307 5.687 -0.307 1.00 0.00 H new ATOM 1048 N PRO A2696 1.580 10.483 0.376 1.00 0.00 N ATOM 1049 CA PRO A2696 1.423 11.656 1.239 1.00 0.00 C ATOM 1050 C PRO A2696 0.861 11.289 2.607 1.00 0.00 C ATOM 1051 O PRO A2696 -0.042 10.459 2.717 1.00 0.00 O ATOM 1052 CB PRO A2696 0.440 12.545 0.473 1.00 0.00 C ATOM 1053 CG PRO A2696 -0.302 11.617 -0.425 1.00 0.00 C ATOM 1054 CD PRO A2696 0.661 10.518 -0.777 1.00 0.00 C ATOM 0 HA PRO A2696 2.377 12.143 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A2696 -0.237 13.061 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A2696 0.964 13.312 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -1.185 11.217 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.647 12.134 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.150 9.565 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.190 10.730 -1.706 1.00 0.00 H new ATOM 1062 N GLU A2697 1.416 11.899 3.649 1.00 0.00 N ATOM 1063 CA GLU A2697 0.989 11.622 5.016 1.00 0.00 C ATOM 1064 C GLU A2697 -0.525 11.750 5.161 1.00 0.00 C ATOM 1065 O GLU A2697 -1.137 11.064 5.979 1.00 0.00 O ATOM 1066 CB GLU A2697 1.690 12.570 5.992 1.00 0.00 C ATOM 1067 CG GLU A2697 1.141 13.988 5.978 1.00 0.00 C ATOM 1068 CD GLU A2697 2.234 15.039 5.966 1.00 0.00 C ATOM 1069 OE1 GLU A2697 1.994 16.150 6.482 1.00 0.00 O ATOM 1070 OE2 GLU A2697 3.330 14.749 5.441 1.00 0.00 O ATOM 0 H GLU A2697 2.163 12.589 3.573 1.00 0.00 H new ATOM 0 HA GLU A2697 1.267 10.595 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.602 12.167 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.753 12.600 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A2697 0.507 14.119 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.509 14.137 6.853 1.00 0.00 H new ATOM 1077 N SER A2698 -1.125 12.623 4.363 1.00 0.00 N ATOM 1078 CA SER A2698 -2.568 12.826 4.407 1.00 0.00 C ATOM 1079 C SER A2698 -3.308 11.557 3.991 1.00 0.00 C ATOM 1080 O SER A2698 -4.392 11.266 4.495 1.00 0.00 O ATOM 1081 CB SER A2698 -2.968 13.986 3.494 1.00 0.00 C ATOM 1082 OG SER A2698 -2.337 15.190 3.891 1.00 0.00 O ATOM 0 H SER A2698 -0.637 13.201 3.679 1.00 0.00 H new ATOM 0 HA SER A2698 -2.846 13.068 5.433 1.00 0.00 H new ATOM 0 HB2 SER A2698 -2.697 13.752 2.464 1.00 0.00 H new ATOM 0 HB3 SER A2698 -4.050 14.114 3.517 1.00 0.00 H new ATOM 0 HG SER A2698 -2.608 15.915 3.290 1.00 0.00 H new ATOM 1088 N MET A2699 -2.712 10.805 3.069 1.00 0.00 N ATOM 1089 CA MET A2699 -3.315 9.566 2.586 1.00 0.00 C ATOM 1090 C MET A2699 -3.067 8.412 3.555 1.00 0.00 C ATOM 1091 O MET A2699 -3.583 7.312 3.361 1.00 0.00 O ATOM 1092 CB MET A2699 -2.764 9.208 1.208 1.00 0.00 C ATOM 1093 CG MET A2699 -3.682 9.610 0.067 1.00 0.00 C ATOM 1094 SD MET A2699 -2.897 9.449 -1.548 1.00 0.00 S ATOM 1095 CE MET A2699 -3.585 7.891 -2.102 1.00 0.00 C ATOM 0 H MET A2699 -1.814 11.032 2.642 1.00 0.00 H new ATOM 0 HA MET A2699 -4.390 9.729 2.514 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.797 9.693 1.074 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.590 8.133 1.163 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.579 8.992 0.093 1.00 0.00 H new ATOM 0 HG3 MET A2699 -4.002 10.642 0.210 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.840 7.961 -3.159 1.00 0.00 H new ATOM 0 HE2 MET A2699 -2.852 7.098 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.483 7.665 -1.527 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.285 8.665 4.602 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.991 7.635 5.592 1.00 0.00 C ATOM 1107 C PHE A2700 -3.278 7.085 6.203 1.00 0.00 C ATOM 1108 O PHE A2700 -3.285 6.000 6.783 1.00 0.00 O ATOM 1109 CB PHE A2700 -1.078 8.196 6.687 1.00 0.00 C ATOM 1110 CG PHE A2700 0.356 8.384 6.254 1.00 0.00 C ATOM 1111 CD1 PHE A2700 0.740 8.198 4.931 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.323 8.746 7.180 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.055 8.371 4.545 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.640 8.920 6.796 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.006 8.732 5.479 1.00 0.00 C ATOM 0 H PHE A2700 -1.847 9.568 4.785 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.475 6.816 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.475 9.155 7.021 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -1.103 7.525 7.545 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.001 7.915 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A2700 1.044 8.894 8.213 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.339 8.224 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.383 9.203 7.527 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.035 8.867 5.179 1.00 0.00 H new