USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 271 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 77 ASN : amide:sc= -10.7! K(o=-22!,f=-6.8) USER MOD Set 1.2: A 81 GLN : amide:sc= -11.3! C(o=-22!,f=-6.8!) USER MOD Single : A 68 THR OG1 : rot 27:sc= 0.805 USER MOD Single : A 71 SER OG : rot 180:sc= -1.29 USER MOD Single : A 75 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.8!) USER MOD Single : A 82 GLN : amide:sc= -19.2! C(o=-19!,f=-7.8!) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -2.97 (180deg=-4.25!) USER MOD Single : A 88 ASN : amide:sc= -9.85! C(o=-9.8!,f=-8.5!) USER MOD Single : A 90 SER OG : rot -119:sc= 0.325 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 -3.398 -10.771 -9.166 1.00 0.00 N ATOM 2 CA THR A 68 -2.704 -9.462 -9.301 1.00 0.00 C ATOM 3 C THR A 68 -1.290 -9.584 -8.708 1.00 0.00 C ATOM 4 O THR A 68 -0.883 -10.643 -8.276 1.00 0.00 O ATOM 5 CB THR A 68 -3.519 -8.393 -8.543 1.00 0.00 C ATOM 6 OG1 THR A 68 -4.888 -8.771 -8.550 1.00 0.00 O ATOM 7 CG2 THR A 68 -3.375 -7.017 -9.215 1.00 0.00 C ATOM 0 HA THR A 68 -2.622 -9.173 -10.349 1.00 0.00 H new ATOM 0 HB THR A 68 -3.144 -8.323 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.958 -9.746 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.958 -6.280 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.326 -6.721 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.739 -7.073 -10.241 1.00 0.00 H new ATOM 15 N VAL A 69 -0.540 -8.511 -8.687 1.00 0.00 N ATOM 16 CA VAL A 69 0.842 -8.559 -8.129 1.00 0.00 C ATOM 17 C VAL A 69 0.836 -8.035 -6.690 1.00 0.00 C ATOM 18 O VAL A 69 1.872 -7.759 -6.117 1.00 0.00 O ATOM 19 CB VAL A 69 1.760 -7.682 -8.983 1.00 0.00 C ATOM 20 CG1 VAL A 69 2.081 -8.400 -10.296 1.00 0.00 C ATOM 21 CG2 VAL A 69 1.057 -6.356 -9.288 1.00 0.00 C ATOM 0 H VAL A 69 -0.830 -7.597 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 69 1.201 -9.588 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 69 2.685 -7.490 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.735 -7.774 -10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.580 -9.345 -10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.157 -8.594 -10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.710 -5.730 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.132 -6.551 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.828 -5.842 -8.354 1.00 0.00 H new ATOM 31 N LEU A 70 -0.319 -7.886 -6.100 1.00 0.00 N ATOM 32 CA LEU A 70 -0.379 -7.372 -4.701 1.00 0.00 C ATOM 33 C LEU A 70 0.401 -6.059 -4.612 1.00 0.00 C ATOM 34 O LEU A 70 0.618 -5.525 -3.543 1.00 0.00 O ATOM 35 CB LEU A 70 0.242 -8.394 -3.747 1.00 0.00 C ATOM 36 CG LEU A 70 -0.403 -9.768 -3.962 1.00 0.00 C ATOM 37 CD1 LEU A 70 0.219 -10.776 -2.990 1.00 0.00 C ATOM 38 CD2 LEU A 70 -1.917 -9.679 -3.713 1.00 0.00 C ATOM 0 H LEU A 70 -1.222 -8.097 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.419 -7.204 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.317 -8.457 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.101 -8.074 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.229 -10.093 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.237 -11.755 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.291 -10.844 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.046 -10.448 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.369 -10.659 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.099 -9.353 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.358 -8.962 -4.406 1.00 0.00 H new ATOM 50 N SER A 71 0.822 -5.536 -5.730 1.00 0.00 N ATOM 51 CA SER A 71 1.581 -4.262 -5.721 1.00 0.00 C ATOM 52 C SER A 71 0.648 -3.136 -5.326 1.00 0.00 C ATOM 53 O SER A 71 -0.289 -2.803 -6.022 1.00 0.00 O ATOM 54 CB SER A 71 2.165 -3.993 -7.108 1.00 0.00 C ATOM 55 OG SER A 71 2.879 -5.140 -7.548 1.00 0.00 O ATOM 0 H SER A 71 0.670 -5.942 -6.653 1.00 0.00 H new ATOM 0 HA SER A 71 2.400 -4.328 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.367 -3.755 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.828 -3.129 -7.075 1.00 0.00 H new ATOM 0 HG SER A 71 3.253 -4.971 -8.438 1.00 0.00 H new ATOM 61 N VAL A 72 0.898 -2.563 -4.193 1.00 0.00 N ATOM 62 CA VAL A 72 0.039 -1.465 -3.695 1.00 0.00 C ATOM 63 C VAL A 72 0.549 -0.127 -4.228 1.00 0.00 C ATOM 64 O VAL A 72 -0.212 0.686 -4.712 1.00 0.00 O ATOM 65 CB VAL A 72 0.081 -1.488 -2.171 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.411 -2.854 -1.679 1.00 0.00 C ATOM 67 CG2 VAL A 72 1.517 -1.257 -1.687 1.00 0.00 C ATOM 0 H VAL A 72 1.674 -2.812 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.988 -1.595 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.559 -0.699 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.384 -2.880 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.433 -3.017 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.234 -3.638 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.541 -1.274 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.163 -2.043 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.869 -0.289 -2.042 1.00 0.00 H new ATOM 77 N GLY A 73 1.832 0.108 -4.162 1.00 0.00 N ATOM 78 CA GLY A 73 2.375 1.396 -4.683 1.00 0.00 C ATOM 79 C GLY A 73 1.831 1.638 -6.092 1.00 0.00 C ATOM 80 O GLY A 73 1.937 2.720 -6.633 1.00 0.00 O ATOM 0 H GLY A 73 2.524 -0.532 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.091 2.217 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.464 1.364 -4.701 1.00 0.00 H new ATOM 84 N GLY A 74 1.243 0.636 -6.688 1.00 0.00 N ATOM 85 CA GLY A 74 0.684 0.805 -8.057 1.00 0.00 C ATOM 86 C GLY A 74 -0.690 1.473 -7.960 1.00 0.00 C ATOM 87 O GLY A 74 -1.018 2.351 -8.733 1.00 0.00 O ATOM 0 H GLY A 74 1.126 -0.293 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.355 1.412 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.597 -0.163 -8.549 1.00 0.00 H new ATOM 91 N GLN A 75 -1.495 1.069 -7.012 1.00 0.00 N ATOM 92 CA GLN A 75 -2.838 1.687 -6.865 1.00 0.00 C ATOM 93 C GLN A 75 -2.699 2.987 -6.079 1.00 0.00 C ATOM 94 O GLN A 75 -3.301 3.989 -6.406 1.00 0.00 O ATOM 95 CB GLN A 75 -3.768 0.729 -6.114 1.00 0.00 C ATOM 96 CG GLN A 75 -4.220 -0.393 -7.053 1.00 0.00 C ATOM 97 CD GLN A 75 -3.014 -1.250 -7.440 1.00 0.00 C ATOM 98 OE1 GLN A 75 -2.340 -0.969 -8.411 1.00 0.00 O ATOM 99 NE2 GLN A 75 -2.712 -2.292 -6.714 1.00 0.00 N ATOM 0 H GLN A 75 -1.277 0.338 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.259 1.892 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.252 0.308 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.635 1.271 -5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.975 -1.009 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.681 0.029 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.278 -2.527 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.910 -2.871 -6.962 1.00 0.00 H new ATOM 108 N VAL A 76 -1.898 2.978 -5.050 1.00 0.00 N ATOM 109 CA VAL A 76 -1.704 4.214 -4.243 1.00 0.00 C ATOM 110 C VAL A 76 -1.088 5.290 -5.136 1.00 0.00 C ATOM 111 O VAL A 76 -1.627 6.371 -5.292 1.00 0.00 O ATOM 112 CB VAL A 76 -0.768 3.913 -3.071 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.746 5.104 -2.112 1.00 0.00 C ATOM 114 CG2 VAL A 76 -1.265 2.671 -2.326 1.00 0.00 C ATOM 0 H VAL A 76 -1.368 2.166 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.660 4.563 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 76 0.238 3.734 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.079 4.887 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.392 5.990 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.752 5.285 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.598 2.456 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.272 2.851 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.279 1.820 -3.007 1.00 0.00 H new ATOM 124 N ASN A 77 0.031 4.998 -5.742 1.00 0.00 N ATOM 125 CA ASN A 77 0.662 6.000 -6.637 1.00 0.00 C ATOM 126 C ASN A 77 -0.354 6.392 -7.704 1.00 0.00 C ATOM 127 O ASN A 77 -0.662 7.548 -7.889 1.00 0.00 O ATOM 128 CB ASN A 77 1.905 5.400 -7.299 1.00 0.00 C ATOM 129 CG ASN A 77 2.652 6.493 -8.064 1.00 0.00 C ATOM 130 OD1 ASN A 77 3.689 6.243 -8.645 1.00 0.00 O ATOM 131 ND2 ASN A 77 2.165 7.703 -8.088 1.00 0.00 N ATOM 0 H ASN A 77 0.531 4.113 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 77 0.965 6.877 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.556 4.960 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.617 4.598 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.655 8.440 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.294 7.912 -7.600 1.00 0.00 H new ATOM 138 N LEU A 78 -0.897 5.430 -8.396 1.00 0.00 N ATOM 139 CA LEU A 78 -1.916 5.744 -9.441 1.00 0.00 C ATOM 140 C LEU A 78 -2.942 6.712 -8.847 1.00 0.00 C ATOM 141 O LEU A 78 -3.451 7.594 -9.517 1.00 0.00 O ATOM 142 CB LEU A 78 -2.609 4.444 -9.870 1.00 0.00 C ATOM 143 CG LEU A 78 -3.798 4.745 -10.794 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.338 5.608 -11.977 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.371 3.422 -11.317 1.00 0.00 C ATOM 0 H LEU A 78 -0.681 4.439 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.443 6.201 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.897 3.798 -10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.954 3.902 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.563 5.287 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.188 5.817 -12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.927 6.546 -11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.572 5.075 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.216 3.626 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.601 2.886 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.704 2.812 -10.477 1.00 0.00 H new ATOM 157 N LEU A 79 -3.242 6.547 -7.587 1.00 0.00 N ATOM 158 CA LEU A 79 -4.229 7.436 -6.922 1.00 0.00 C ATOM 159 C LEU A 79 -3.701 8.880 -6.907 1.00 0.00 C ATOM 160 O LEU A 79 -4.450 9.818 -7.090 1.00 0.00 O ATOM 161 CB LEU A 79 -4.470 6.931 -5.474 1.00 0.00 C ATOM 162 CG LEU A 79 -5.978 6.825 -5.173 1.00 0.00 C ATOM 163 CD1 LEU A 79 -6.545 5.541 -5.792 1.00 0.00 C ATOM 164 CD2 LEU A 79 -6.196 6.789 -3.657 1.00 0.00 C ATOM 0 H LEU A 79 -2.840 5.827 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.172 7.419 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.999 5.957 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.000 7.612 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.487 7.689 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.611 5.473 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.395 5.560 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.033 4.677 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.262 6.714 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.680 5.926 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.800 7.701 -3.211 1.00 0.00 H new ATOM 176 N ILE A 80 -2.429 9.075 -6.692 1.00 0.00 N ATOM 177 CA ILE A 80 -1.893 10.467 -6.663 1.00 0.00 C ATOM 178 C ILE A 80 -1.765 10.999 -8.099 1.00 0.00 C ATOM 179 O ILE A 80 -1.735 12.186 -8.335 1.00 0.00 O ATOM 180 CB ILE A 80 -0.518 10.463 -5.937 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.327 11.767 -5.138 1.00 0.00 C ATOM 182 CG2 ILE A 80 0.651 10.297 -6.928 1.00 0.00 C ATOM 183 CD1 ILE A 80 -0.477 12.988 -6.054 1.00 0.00 C ATOM 0 H ILE A 80 -1.742 8.338 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.572 11.125 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.516 9.611 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.060 11.817 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.659 11.774 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.594 10.299 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.543 9.353 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.643 11.121 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.339 13.899 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.273 12.945 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.472 12.989 -6.499 1.00 0.00 H new ATOM 195 N GLN A 81 -1.669 10.127 -9.056 1.00 0.00 N ATOM 196 CA GLN A 81 -1.506 10.586 -10.462 1.00 0.00 C ATOM 197 C GLN A 81 -2.821 11.140 -11.030 1.00 0.00 C ATOM 198 O GLN A 81 -2.834 12.201 -11.621 1.00 0.00 O ATOM 199 CB GLN A 81 -1.016 9.408 -11.320 1.00 0.00 C ATOM 200 CG GLN A 81 0.508 9.204 -11.121 1.00 0.00 C ATOM 201 CD GLN A 81 0.851 7.712 -11.147 1.00 0.00 C ATOM 202 OE1 GLN A 81 1.171 7.164 -12.184 1.00 0.00 O ATOM 203 NE2 GLN A 81 0.797 7.030 -10.037 1.00 0.00 N ATOM 0 H GLN A 81 -1.696 9.115 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.774 11.394 -10.481 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.552 8.500 -11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.231 9.599 -12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.057 9.724 -11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.819 9.639 -10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.528 7.491 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.023 6.035 -10.038 1.00 0.00 H new ATOM 212 N GLN A 82 -3.926 10.448 -10.888 1.00 0.00 N ATOM 213 CA GLN A 82 -5.199 10.985 -11.457 1.00 0.00 C ATOM 214 C GLN A 82 -5.838 11.952 -10.449 1.00 0.00 C ATOM 215 O GLN A 82 -6.672 12.764 -10.797 1.00 0.00 O ATOM 216 CB GLN A 82 -6.132 9.799 -11.812 1.00 0.00 C ATOM 217 CG GLN A 82 -7.235 9.588 -10.765 1.00 0.00 C ATOM 218 CD GLN A 82 -6.611 9.415 -9.387 1.00 0.00 C ATOM 219 OE1 GLN A 82 -7.251 9.640 -8.381 1.00 0.00 O ATOM 220 NE2 GLN A 82 -5.379 9.015 -9.301 1.00 0.00 N ATOM 0 H GLN A 82 -4.001 9.550 -10.411 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.011 11.546 -12.373 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.588 9.978 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.540 8.888 -11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.915 10.440 -10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.827 8.709 -11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.844 8.827 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.946 8.889 -8.386 1.00 0.00 H new ATOM 229 N ALA A 83 -5.452 11.868 -9.203 1.00 0.00 N ATOM 230 CA ALA A 83 -6.033 12.776 -8.173 1.00 0.00 C ATOM 231 C ALA A 83 -5.295 14.121 -8.177 1.00 0.00 C ATOM 232 O ALA A 83 -5.868 15.140 -8.500 1.00 0.00 O ATOM 233 CB ALA A 83 -5.906 12.133 -6.792 1.00 0.00 C ATOM 0 H ALA A 83 -4.757 11.207 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.085 12.945 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.331 12.798 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.442 11.184 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.854 11.958 -6.568 1.00 0.00 H new ATOM 239 N ILE A 84 -4.031 14.115 -7.800 1.00 0.00 N ATOM 240 CA ILE A 84 -3.200 15.374 -7.745 1.00 0.00 C ATOM 241 C ILE A 84 -4.085 16.594 -7.437 1.00 0.00 C ATOM 242 O ILE A 84 -4.416 17.376 -8.304 1.00 0.00 O ATOM 243 CB ILE A 84 -2.393 15.592 -9.072 1.00 0.00 C ATOM 244 CG1 ILE A 84 -2.895 14.654 -10.191 1.00 0.00 C ATOM 245 CG2 ILE A 84 -0.898 15.324 -8.842 1.00 0.00 C ATOM 246 CD1 ILE A 84 -4.225 15.162 -10.772 1.00 0.00 C ATOM 0 H ILE A 84 -3.529 13.272 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.477 15.258 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.543 16.628 -9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.148 14.591 -10.982 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.026 13.647 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.353 15.480 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.519 16.006 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.760 14.295 -8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.560 14.486 -11.559 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.976 15.201 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.083 16.160 -11.187 1.00 0.00 H new ATOM 258 N ASP A 85 -4.467 16.755 -6.200 1.00 0.00 N ATOM 259 CA ASP A 85 -5.322 17.917 -5.833 1.00 0.00 C ATOM 260 C ASP A 85 -6.531 17.973 -6.771 1.00 0.00 C ATOM 261 O ASP A 85 -6.679 18.896 -7.544 1.00 0.00 O ATOM 262 CB ASP A 85 -4.509 19.208 -5.970 1.00 0.00 C ATOM 263 CG ASP A 85 -5.229 20.349 -5.249 1.00 0.00 C ATOM 264 OD1 ASP A 85 -4.731 21.461 -5.299 1.00 0.00 O ATOM 265 OD2 ASP A 85 -6.265 20.091 -4.660 1.00 0.00 O ATOM 0 H ASP A 85 -4.224 16.133 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.664 17.810 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.514 19.069 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.377 19.456 -7.023 1.00 0.00 H new ATOM 270 N PRO A 86 -7.387 16.987 -6.708 1.00 0.00 N ATOM 271 CA PRO A 86 -8.602 16.920 -7.571 1.00 0.00 C ATOM 272 C PRO A 86 -9.702 17.869 -7.094 1.00 0.00 C ATOM 273 O PRO A 86 -10.707 18.050 -7.753 1.00 0.00 O ATOM 274 CB PRO A 86 -9.042 15.457 -7.445 1.00 0.00 C ATOM 275 CG PRO A 86 -8.592 15.047 -6.080 1.00 0.00 C ATOM 276 CD PRO A 86 -7.295 15.821 -5.806 1.00 0.00 C ATOM 0 HA PRO A 86 -8.399 17.225 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.122 15.357 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.585 14.837 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.351 15.282 -5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.421 13.972 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.224 16.127 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.414 15.216 -6.022 1.00 0.00 H new ATOM 284 N LYS A 87 -9.520 18.483 -5.960 1.00 0.00 N ATOM 285 CA LYS A 87 -10.555 19.423 -5.458 1.00 0.00 C ATOM 286 C LYS A 87 -10.709 20.561 -6.467 1.00 0.00 C ATOM 287 O LYS A 87 -11.752 21.175 -6.576 1.00 0.00 O ATOM 288 CB LYS A 87 -10.136 20.000 -4.094 1.00 0.00 C ATOM 289 CG LYS A 87 -9.519 18.909 -3.203 1.00 0.00 C ATOM 290 CD LYS A 87 -10.525 17.774 -2.946 1.00 0.00 C ATOM 291 CE LYS A 87 -11.803 18.323 -2.288 1.00 0.00 C ATOM 292 NZ LYS A 87 -12.781 18.716 -3.342 1.00 0.00 N ATOM 0 H LYS A 87 -8.701 18.374 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.500 18.893 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.416 20.805 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.003 20.434 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.625 18.507 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.205 19.344 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.776 17.283 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.073 17.019 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.241 17.568 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.562 19.183 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.748 18.630 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.607 19.701 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.672 18.092 -4.167 1.00 0.00 H new ATOM 306 N ASN A 88 -9.673 20.839 -7.214 1.00 0.00 N ATOM 307 CA ASN A 88 -9.750 21.932 -8.226 1.00 0.00 C ATOM 308 C ASN A 88 -10.314 21.365 -9.533 1.00 0.00 C ATOM 309 O ASN A 88 -11.408 21.694 -9.936 1.00 0.00 O ATOM 310 CB ASN A 88 -8.343 22.513 -8.463 1.00 0.00 C ATOM 311 CG ASN A 88 -7.297 21.411 -8.292 1.00 0.00 C ATOM 312 OD1 ASN A 88 -6.761 21.232 -7.216 1.00 0.00 O ATOM 313 ND2 ASN A 88 -6.977 20.664 -9.312 1.00 0.00 N ATOM 0 H ASN A 88 -8.776 20.355 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.404 22.727 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.278 22.938 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.150 23.323 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.277 19.930 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.427 20.814 -10.215 1.00 0.00 H new ATOM 320 N LEU A 89 -9.579 20.512 -10.192 1.00 0.00 N ATOM 321 CA LEU A 89 -10.074 19.924 -11.472 1.00 0.00 C ATOM 322 C LEU A 89 -11.524 19.472 -11.296 1.00 0.00 C ATOM 323 O LEU A 89 -12.298 19.444 -12.233 1.00 0.00 O ATOM 324 CB LEU A 89 -9.207 18.714 -11.841 1.00 0.00 C ATOM 325 CG LEU A 89 -9.546 18.225 -13.266 1.00 0.00 C ATOM 326 CD1 LEU A 89 -8.785 19.054 -14.309 1.00 0.00 C ATOM 327 CD2 LEU A 89 -9.147 16.753 -13.415 1.00 0.00 C ATOM 0 H LEU A 89 -8.655 20.195 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.018 20.671 -12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.152 18.983 -11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.371 17.909 -11.125 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.618 18.339 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.034 18.698 -15.309 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.067 20.103 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.713 18.951 -14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.388 16.411 -14.422 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.076 16.647 -13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.693 16.153 -12.688 1.00 0.00 H new ATOM 339 N SER A 90 -11.892 19.108 -10.099 1.00 0.00 N ATOM 340 CA SER A 90 -13.282 18.645 -9.850 1.00 0.00 C ATOM 341 C SER A 90 -14.214 19.844 -9.642 1.00 0.00 C ATOM 342 O SER A 90 -15.332 19.861 -10.105 1.00 0.00 O ATOM 343 CB SER A 90 -13.302 17.762 -8.601 1.00 0.00 C ATOM 344 OG SER A 90 -12.991 18.553 -7.462 1.00 0.00 O ATOM 0 H SER A 90 -11.285 19.112 -9.279 1.00 0.00 H new ATOM 0 HA SER A 90 -13.628 18.077 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.283 17.302 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.581 16.951 -8.703 1.00 0.00 H new ATOM 0 HG SER A 90 -12.173 18.215 -7.042 1.00 0.00 H new ATOM 350 N ARG A 91 -13.775 20.843 -8.932 1.00 0.00 N ATOM 351 CA ARG A 91 -14.658 22.020 -8.687 1.00 0.00 C ATOM 352 C ARG A 91 -14.668 22.951 -9.903 1.00 0.00 C ATOM 353 O ARG A 91 -15.558 23.764 -10.061 1.00 0.00 O ATOM 354 CB ARG A 91 -14.135 22.781 -7.472 1.00 0.00 C ATOM 355 CG ARG A 91 -15.023 24.006 -7.205 1.00 0.00 C ATOM 356 CD ARG A 91 -14.638 24.680 -5.869 1.00 0.00 C ATOM 357 NE ARG A 91 -13.875 25.931 -6.150 1.00 0.00 N ATOM 358 CZ ARG A 91 -12.589 25.884 -6.376 1.00 0.00 C ATOM 359 NH1 ARG A 91 -11.930 26.983 -6.622 1.00 0.00 N ATOM 360 NH2 ARG A 91 -11.962 24.740 -6.353 1.00 0.00 N ATOM 0 H ARG A 91 -12.847 20.898 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.676 21.672 -8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.127 22.129 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.106 23.097 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.920 24.721 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.070 23.703 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.534 24.909 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.036 24.001 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.360 26.828 -6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.419 27.878 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.926 26.947 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.476 23.881 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.958 24.705 -6.530 1.00 0.00 H new ATOM 374 N LEU A 92 -13.682 22.861 -10.751 1.00 0.00 N ATOM 375 CA LEU A 92 -13.629 23.765 -11.939 1.00 0.00 C ATOM 376 C LEU A 92 -14.359 23.143 -13.130 1.00 0.00 C ATOM 377 O LEU A 92 -14.319 23.672 -14.222 1.00 0.00 O ATOM 378 CB LEU A 92 -12.167 24.010 -12.317 1.00 0.00 C ATOM 379 CG LEU A 92 -11.409 24.581 -11.114 1.00 0.00 C ATOM 380 CD1 LEU A 92 -9.904 24.537 -11.396 1.00 0.00 C ATOM 381 CD2 LEU A 92 -11.838 26.033 -10.853 1.00 0.00 C ATOM 0 H LEU A 92 -12.909 22.200 -10.675 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.118 24.705 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.704 23.078 -12.641 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.110 24.703 -13.157 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.639 23.982 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.362 24.943 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.595 23.505 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.682 25.132 -12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.291 26.425 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.620 26.640 -11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.908 26.065 -10.647 1.00 0.00 H new ATOM 393 N PHE A 93 -15.029 22.034 -12.952 1.00 0.00 N ATOM 394 CA PHE A 93 -15.745 21.430 -14.120 1.00 0.00 C ATOM 395 C PHE A 93 -16.948 20.564 -13.657 1.00 0.00 C ATOM 396 O PHE A 93 -18.077 20.987 -13.808 1.00 0.00 O ATOM 397 CB PHE A 93 -14.743 20.622 -14.970 1.00 0.00 C ATOM 398 CG PHE A 93 -14.087 21.515 -16.008 1.00 0.00 C ATOM 399 CD1 PHE A 93 -14.709 21.729 -17.244 1.00 0.00 C ATOM 400 CD2 PHE A 93 -12.854 22.122 -15.733 1.00 0.00 C ATOM 401 CE1 PHE A 93 -14.101 22.549 -18.203 1.00 0.00 C ATOM 402 CE2 PHE A 93 -12.245 22.942 -16.692 1.00 0.00 C ATOM 403 CZ PHE A 93 -12.869 23.153 -17.927 1.00 0.00 C ATOM 0 H PHE A 93 -15.112 21.528 -12.070 1.00 0.00 H new ATOM 0 HA PHE A 93 -16.159 22.226 -14.739 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -13.981 20.183 -14.326 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -15.257 19.797 -15.464 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -15.659 21.261 -17.458 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.373 21.957 -14.780 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.583 22.715 -19.155 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -11.296 23.411 -16.479 1.00 0.00 H new ATOM 0 HZ PHE A 93 -12.399 23.783 -18.668 1.00 0.00 H new ATOM 413 N PRO A 94 -16.755 19.372 -13.113 1.00 0.00 N ATOM 414 CA PRO A 94 -17.907 18.513 -12.670 1.00 0.00 C ATOM 415 C PRO A 94 -18.565 19.004 -11.371 1.00 0.00 C ATOM 416 O PRO A 94 -19.772 19.047 -11.250 1.00 0.00 O ATOM 417 CB PRO A 94 -17.248 17.149 -12.443 1.00 0.00 C ATOM 418 CG PRO A 94 -15.878 17.498 -11.985 1.00 0.00 C ATOM 419 CD PRO A 94 -15.466 18.692 -12.849 1.00 0.00 C ATOM 0 HA PRO A 94 -18.713 18.513 -13.404 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -17.784 16.564 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -17.227 16.556 -13.357 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.869 17.755 -10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.193 16.661 -12.116 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -14.765 19.344 -12.328 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.981 18.374 -13.772 1.00 0.00 H new ATOM 427 N GLY A 95 -17.775 19.341 -10.395 1.00 0.00 N ATOM 428 CA GLY A 95 -18.328 19.799 -9.086 1.00 0.00 C ATOM 429 C GLY A 95 -19.523 20.739 -9.284 1.00 0.00 C ATOM 430 O GLY A 95 -20.487 20.681 -8.551 1.00 0.00 O ATOM 0 H GLY A 95 -16.756 19.320 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.636 18.935 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -17.550 20.311 -8.519 1.00 0.00 H new ATOM 434 N TRP A 96 -19.470 21.618 -10.246 1.00 0.00 N ATOM 435 CA TRP A 96 -20.610 22.565 -10.448 1.00 0.00 C ATOM 436 C TRP A 96 -21.716 21.894 -11.270 1.00 0.00 C ATOM 437 O TRP A 96 -22.866 22.282 -11.212 1.00 0.00 O ATOM 438 CB TRP A 96 -20.111 23.815 -11.182 1.00 0.00 C ATOM 439 CG TRP A 96 -19.354 24.696 -10.233 1.00 0.00 C ATOM 440 CD1 TRP A 96 -18.751 24.285 -9.090 1.00 0.00 C ATOM 441 CD2 TRP A 96 -19.112 26.131 -10.325 1.00 0.00 C ATOM 442 NE1 TRP A 96 -18.157 25.372 -8.481 1.00 0.00 N ATOM 443 CE2 TRP A 96 -18.350 26.531 -9.202 1.00 0.00 C ATOM 444 CE3 TRP A 96 -19.473 27.112 -11.264 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -17.963 27.857 -9.015 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -19.084 28.449 -11.080 1.00 0.00 C ATOM 447 CH2 TRP A 96 -18.329 28.820 -9.958 1.00 0.00 C ATOM 0 H TRP A 96 -18.693 21.724 -10.899 1.00 0.00 H new ATOM 0 HA TRP A 96 -21.014 22.847 -9.476 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -19.469 23.527 -12.015 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -20.955 24.361 -11.604 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -18.738 23.272 -8.717 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -17.638 25.324 -7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -20.053 26.836 -12.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -17.384 28.138 -8.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -19.368 29.196 -11.807 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -18.031 29.849 -9.823 1.00 0.00 H new ATOM 458 N LYS A 97 -21.380 20.897 -12.036 1.00 0.00 N ATOM 459 CA LYS A 97 -22.411 20.212 -12.862 1.00 0.00 C ATOM 460 C LYS A 97 -23.449 19.534 -11.963 1.00 0.00 C ATOM 461 O LYS A 97 -24.462 19.060 -12.439 1.00 0.00 O ATOM 462 CB LYS A 97 -21.743 19.159 -13.751 1.00 0.00 C ATOM 463 CG LYS A 97 -20.956 19.847 -14.878 1.00 0.00 C ATOM 464 CD LYS A 97 -21.923 20.486 -15.923 1.00 0.00 C ATOM 465 CE LYS A 97 -21.799 22.019 -15.917 1.00 0.00 C ATOM 466 NZ LYS A 97 -20.565 22.418 -16.649 1.00 0.00 N ATOM 0 H LYS A 97 -20.434 20.526 -12.126 1.00 0.00 H new ATOM 0 HA LYS A 97 -22.911 20.954 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -21.074 18.539 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -22.498 18.497 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.309 20.617 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.310 19.121 -15.371 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -21.696 20.102 -16.918 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.950 20.199 -15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.675 22.468 -16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.762 22.388 -14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.479 23.454 -16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.734 22.001 -16.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.618 22.078 -17.630 1.00 0.00 H new ATOM 480 N ALA A 98 -23.215 19.479 -10.671 1.00 0.00 N ATOM 481 CA ALA A 98 -24.185 18.832 -9.746 1.00 0.00 C ATOM 482 C ALA A 98 -24.756 19.895 -8.821 1.00 0.00 C ATOM 483 O ALA A 98 -25.794 19.718 -8.213 1.00 0.00 O ATOM 484 CB ALA A 98 -23.453 17.782 -8.912 1.00 0.00 C ATOM 0 H ALA A 98 -22.383 19.860 -10.220 1.00 0.00 H new ATOM 0 HA ALA A 98 -24.987 18.358 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -24.157 17.303 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -23.018 17.031 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -22.661 18.262 -8.337 1.00 0.00 H new ATOM 490 N TRP A 99 -24.069 20.994 -8.698 1.00 0.00 N ATOM 491 CA TRP A 99 -24.542 22.072 -7.798 1.00 0.00 C ATOM 492 C TRP A 99 -25.618 22.899 -8.507 1.00 0.00 C ATOM 493 O TRP A 99 -26.212 23.788 -7.930 1.00 0.00 O ATOM 494 CB TRP A 99 -23.366 22.976 -7.418 1.00 0.00 C ATOM 495 CG TRP A 99 -22.226 22.159 -6.872 1.00 0.00 C ATOM 496 CD1 TRP A 99 -22.242 20.818 -6.640 1.00 0.00 C ATOM 497 CD2 TRP A 99 -20.898 22.618 -6.481 1.00 0.00 C ATOM 498 NE1 TRP A 99 -21.010 20.437 -6.147 1.00 0.00 N ATOM 499 CE2 TRP A 99 -20.151 21.507 -6.026 1.00 0.00 C ATOM 500 CE3 TRP A 99 -20.275 23.879 -6.480 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -18.835 21.640 -5.586 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -18.949 24.018 -6.036 1.00 0.00 C ATOM 503 CH2 TRP A 99 -18.231 22.900 -5.589 1.00 0.00 C ATOM 0 H TRP A 99 -23.195 21.190 -9.186 1.00 0.00 H new ATOM 0 HA TRP A 99 -24.964 21.630 -6.896 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -23.033 23.536 -8.292 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -23.686 23.706 -6.675 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -23.081 20.160 -6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -20.765 19.478 -5.902 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -20.819 24.746 -6.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -18.286 20.775 -5.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -18.481 24.991 -6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -17.213 23.012 -5.247 1.00 0.00 H new ATOM 514 N VAL A 100 -25.873 22.611 -9.754 1.00 0.00 N ATOM 515 CA VAL A 100 -26.904 23.375 -10.500 1.00 0.00 C ATOM 516 C VAL A 100 -28.238 23.295 -9.756 1.00 0.00 C ATOM 517 O VAL A 100 -29.021 24.221 -9.884 1.00 0.00 O ATOM 518 CB VAL A 100 -27.058 22.773 -11.897 1.00 0.00 C ATOM 519 CG1 VAL A 100 -25.851 23.154 -12.757 1.00 0.00 C ATOM 520 CG2 VAL A 100 -27.147 21.248 -11.789 1.00 0.00 C ATOM 521 OXT VAL A 100 -28.453 22.310 -9.070 1.00 0.00 O ATOM 0 H VAL A 100 -25.408 21.876 -10.287 1.00 0.00 H new ATOM 0 HA VAL A 100 -26.602 24.419 -10.582 1.00 0.00 H new ATOM 0 HB VAL A 100 -27.967 23.159 -12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -25.963 22.724 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -25.788 24.239 -12.836 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -24.941 22.771 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -27.257 20.819 -12.785 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -26.239 20.862 -11.326 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -28.009 20.976 -11.180 1.00 0.00 H new TER 531 VAL A 100