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= -11.9! C(o=-23!,f=-7.2!) USER MOD Set 1.2: A 81 GLN : amide:sc= -11! K(o=-23!,f=-7.2) USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.0581 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -3.15! C(o=-3.1!,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= -5.65! C(o=-5.6!,f=-9.9!) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.631 (180deg=-1.31) USER MOD Single : A 88 ASN : amide:sc= -5.8! C(o=-5.8!,f=-2.9!) USER MOD Single : A 90 SER OG : rot 110:sc= 1.12! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 -0.771 -10.082 -0.401 1.00 0.00 N ATOM 2 CA THR A 68 -0.434 -8.964 -1.333 1.00 0.00 C ATOM 3 C THR A 68 1.088 -8.841 -1.452 1.00 0.00 C ATOM 4 O THR A 68 1.794 -8.770 -0.466 1.00 0.00 O ATOM 5 CB THR A 68 -1.005 -7.659 -0.774 1.00 0.00 C ATOM 6 OG1 THR A 68 -2.422 -7.742 -0.735 1.00 0.00 O ATOM 7 CG2 THR A 68 -0.585 -6.488 -1.665 1.00 0.00 C ATOM 0 HA THR A 68 -0.860 -9.163 -2.316 1.00 0.00 H new ATOM 0 HB THR A 68 -0.621 -7.499 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.692 -8.679 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.994 -5.561 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.503 -6.423 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.965 -6.645 -2.675 1.00 0.00 H new ATOM 15 N VAL A 69 1.598 -8.807 -2.658 1.00 0.00 N ATOM 16 CA VAL A 69 3.069 -8.682 -2.857 1.00 0.00 C ATOM 17 C VAL A 69 3.335 -7.868 -4.127 1.00 0.00 C ATOM 18 O VAL A 69 4.410 -7.337 -4.326 1.00 0.00 O ATOM 19 CB VAL A 69 3.687 -10.078 -2.998 1.00 0.00 C ATOM 20 CG1 VAL A 69 3.194 -10.971 -1.858 1.00 0.00 C ATOM 21 CG2 VAL A 69 3.271 -10.698 -4.338 1.00 0.00 C ATOM 0 H VAL A 69 1.052 -8.861 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 69 3.516 -8.178 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 69 4.773 -9.994 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.633 -11.964 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.490 -10.538 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.108 -11.049 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.713 -11.690 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.185 -10.779 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.619 -10.066 -5.155 1.00 0.00 H new ATOM 31 N LEU A 70 2.359 -7.767 -4.986 1.00 0.00 N ATOM 32 CA LEU A 70 2.544 -6.988 -6.239 1.00 0.00 C ATOM 33 C LEU A 70 2.837 -5.529 -5.880 1.00 0.00 C ATOM 34 O LEU A 70 2.996 -4.689 -6.741 1.00 0.00 O ATOM 35 CB LEU A 70 1.268 -7.061 -7.089 1.00 0.00 C ATOM 36 CG LEU A 70 0.756 -8.506 -7.158 1.00 0.00 C ATOM 37 CD1 LEU A 70 -0.525 -8.552 -7.994 1.00 0.00 C ATOM 38 CD2 LEU A 70 1.819 -9.399 -7.808 1.00 0.00 C ATOM 0 H LEU A 70 1.439 -8.192 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 70 3.376 -7.403 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.500 -6.416 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.471 -6.691 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 70 0.549 -8.865 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.890 -9.578 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.283 -7.919 -7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.315 -8.192 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.453 -10.425 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.028 -9.041 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.733 -9.367 -7.215 1.00 0.00 H new ATOM 50 N SER A 71 2.903 -5.226 -4.608 1.00 0.00 N ATOM 51 CA SER A 71 3.177 -3.827 -4.172 1.00 0.00 C ATOM 52 C SER A 71 1.937 -2.975 -4.392 1.00 0.00 C ATOM 53 O SER A 71 1.507 -2.739 -5.502 1.00 0.00 O ATOM 54 CB SER A 71 4.368 -3.252 -4.951 1.00 0.00 C ATOM 55 OG SER A 71 5.026 -2.285 -4.144 1.00 0.00 O ATOM 0 H SER A 71 2.777 -5.895 -3.848 1.00 0.00 H new ATOM 0 HA SER A 71 3.428 -3.823 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.060 -4.049 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.025 -2.797 -5.880 1.00 0.00 H new ATOM 0 HG SER A 71 5.789 -1.914 -4.634 1.00 0.00 H new ATOM 61 N VAL A 72 1.366 -2.516 -3.322 1.00 0.00 N ATOM 62 CA VAL A 72 0.155 -1.674 -3.418 1.00 0.00 C ATOM 63 C VAL A 72 0.538 -0.311 -3.994 1.00 0.00 C ATOM 64 O VAL A 72 -0.270 0.375 -4.585 1.00 0.00 O ATOM 65 CB VAL A 72 -0.419 -1.502 -2.016 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.715 -2.877 -1.415 1.00 0.00 C ATOM 67 CG2 VAL A 72 0.602 -0.772 -1.141 1.00 0.00 C ATOM 0 H VAL A 72 1.693 -2.692 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.586 -2.139 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.341 -0.922 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.125 -2.755 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.437 -3.400 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.206 -3.457 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.197 -0.646 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.521 -1.355 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.816 0.206 -1.571 1.00 0.00 H new ATOM 77 N GLY A 73 1.775 0.081 -3.823 1.00 0.00 N ATOM 78 CA GLY A 73 2.235 1.399 -4.354 1.00 0.00 C ATOM 79 C GLY A 73 1.704 1.603 -5.773 1.00 0.00 C ATOM 80 O GLY A 73 1.612 2.713 -6.257 1.00 0.00 O ATOM 0 H GLY A 73 2.490 -0.459 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.886 2.203 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.324 1.440 -4.355 1.00 0.00 H new ATOM 84 N GLY A 74 1.348 0.542 -6.441 1.00 0.00 N ATOM 85 CA GLY A 74 0.819 0.677 -7.826 1.00 0.00 C ATOM 86 C GLY A 74 -0.512 1.430 -7.792 1.00 0.00 C ATOM 87 O GLY A 74 -0.739 2.345 -8.561 1.00 0.00 O ATOM 0 H GLY A 74 1.401 -0.413 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.535 1.211 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.681 -0.308 -8.272 1.00 0.00 H new ATOM 91 N GLN A 75 -1.396 1.051 -6.907 1.00 0.00 N ATOM 92 CA GLN A 75 -2.710 1.739 -6.825 1.00 0.00 C ATOM 93 C GLN A 75 -2.557 3.049 -6.053 1.00 0.00 C ATOM 94 O GLN A 75 -3.164 4.047 -6.384 1.00 0.00 O ATOM 95 CB GLN A 75 -3.715 0.835 -6.106 1.00 0.00 C ATOM 96 CG GLN A 75 -4.100 -0.329 -7.020 1.00 0.00 C ATOM 97 CD GLN A 75 -2.882 -1.227 -7.241 1.00 0.00 C ATOM 98 OE1 GLN A 75 -2.082 -0.980 -8.123 1.00 0.00 O ATOM 99 NE2 GLN A 75 -2.706 -2.267 -6.474 1.00 0.00 N ATOM 0 H GLN A 75 -1.261 0.293 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.069 1.954 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.282 0.456 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.603 1.406 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.912 -0.903 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.464 0.049 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.377 -2.474 -5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.898 -2.873 -6.614 1.00 0.00 H new ATOM 108 N VAL A 76 -1.750 3.057 -5.029 1.00 0.00 N ATOM 109 CA VAL A 76 -1.565 4.309 -4.243 1.00 0.00 C ATOM 110 C VAL A 76 -0.933 5.371 -5.141 1.00 0.00 C ATOM 111 O VAL A 76 -1.481 6.440 -5.337 1.00 0.00 O ATOM 112 CB VAL A 76 -0.650 4.041 -3.047 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.720 5.222 -2.077 1.00 0.00 C ATOM 114 CG2 VAL A 76 -1.102 2.767 -2.328 1.00 0.00 C ATOM 0 H VAL A 76 -1.212 2.254 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.532 4.658 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 76 0.374 3.915 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.068 5.032 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.396 6.130 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.745 5.347 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.448 2.578 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.127 2.891 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.053 1.924 -3.017 1.00 0.00 H new ATOM 124 N ASN A 77 0.213 5.091 -5.698 1.00 0.00 N ATOM 125 CA ASN A 77 0.854 6.096 -6.582 1.00 0.00 C ATOM 126 C ASN A 77 -0.129 6.454 -7.701 1.00 0.00 C ATOM 127 O ASN A 77 -0.425 7.606 -7.940 1.00 0.00 O ATOM 128 CB ASN A 77 2.173 5.535 -7.158 1.00 0.00 C ATOM 129 CG ASN A 77 1.920 4.702 -8.424 1.00 0.00 C ATOM 130 OD1 ASN A 77 2.090 3.501 -8.421 1.00 0.00 O ATOM 131 ND2 ASN A 77 1.526 5.300 -9.515 1.00 0.00 N ATOM 0 H ASN A 77 0.727 4.218 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 77 1.099 6.995 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.850 6.357 -7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.667 4.918 -6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.362 4.758 -10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.382 6.310 -9.520 1.00 0.00 H new ATOM 138 N LEU A 78 -0.651 5.467 -8.376 1.00 0.00 N ATOM 139 CA LEU A 78 -1.624 5.746 -9.470 1.00 0.00 C ATOM 140 C LEU A 78 -2.667 6.748 -8.968 1.00 0.00 C ATOM 141 O LEU A 78 -3.126 7.600 -9.699 1.00 0.00 O ATOM 142 CB LEU A 78 -2.311 4.437 -9.881 1.00 0.00 C ATOM 143 CG LEU A 78 -3.444 4.711 -10.880 1.00 0.00 C ATOM 144 CD1 LEU A 78 -2.915 5.524 -12.070 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.000 3.373 -11.380 1.00 0.00 C ATOM 0 H LEU A 78 -0.446 4.480 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.107 6.165 -10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.581 3.762 -10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.710 3.937 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.231 5.282 -10.387 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.727 5.712 -12.772 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.516 6.474 -11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.125 4.964 -12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.806 3.557 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.206 2.809 -11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.384 2.800 -10.536 1.00 0.00 H new ATOM 157 N LEU A 79 -3.035 6.651 -7.721 1.00 0.00 N ATOM 158 CA LEU A 79 -4.040 7.593 -7.165 1.00 0.00 C ATOM 159 C LEU A 79 -3.406 8.985 -7.020 1.00 0.00 C ATOM 160 O LEU A 79 -4.091 9.988 -7.042 1.00 0.00 O ATOM 161 CB LEU A 79 -4.517 7.070 -5.786 1.00 0.00 C ATOM 162 CG LEU A 79 -5.922 6.453 -5.888 1.00 0.00 C ATOM 163 CD1 LEU A 79 -5.868 5.163 -6.713 1.00 0.00 C ATOM 164 CD2 LEU A 79 -6.437 6.136 -4.480 1.00 0.00 C ATOM 0 H LEU A 79 -2.681 5.957 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.898 7.665 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.815 6.325 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.526 7.888 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.592 7.161 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.867 4.732 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.501 5.387 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.198 4.451 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.433 5.698 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.762 5.430 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.483 7.054 -3.894 1.00 0.00 H new ATOM 176 N ILE A 80 -2.110 9.060 -6.857 1.00 0.00 N ATOM 177 CA ILE A 80 -1.470 10.396 -6.700 1.00 0.00 C ATOM 178 C ILE A 80 -1.531 11.157 -8.031 1.00 0.00 C ATOM 179 O ILE A 80 -1.663 12.365 -8.058 1.00 0.00 O ATOM 180 CB ILE A 80 -0.005 10.226 -6.207 1.00 0.00 C ATOM 181 CG1 ILE A 80 0.370 11.377 -5.253 1.00 0.00 C ATOM 182 CG2 ILE A 80 0.997 10.198 -7.380 1.00 0.00 C ATOM 183 CD1 ILE A 80 0.116 12.734 -5.925 1.00 0.00 C ATOM 0 H ILE A 80 -1.475 8.262 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.009 10.978 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 80 0.051 9.271 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.215 11.303 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.419 11.295 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.008 10.078 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.760 9.364 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.931 11.132 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.386 13.536 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.720 12.811 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.939 12.819 -6.186 1.00 0.00 H new ATOM 195 N GLN A 81 -1.433 10.467 -9.139 1.00 0.00 N ATOM 196 CA GLN A 81 -1.483 11.169 -10.459 1.00 0.00 C ATOM 197 C GLN A 81 -2.936 11.311 -10.925 1.00 0.00 C ATOM 198 O GLN A 81 -3.245 12.133 -11.764 1.00 0.00 O ATOM 199 CB GLN A 81 -0.694 10.372 -11.508 1.00 0.00 C ATOM 200 CG GLN A 81 0.826 10.371 -11.170 1.00 0.00 C ATOM 201 CD GLN A 81 1.283 8.975 -10.722 1.00 0.00 C ATOM 202 OE1 GLN A 81 2.420 8.601 -10.933 1.00 0.00 O ATOM 203 NE2 GLN A 81 0.441 8.187 -10.113 1.00 0.00 N ATOM 0 H GLN A 81 -1.321 9.454 -9.188 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.040 12.158 -10.343 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.064 9.347 -11.547 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.852 10.806 -12.496 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.398 10.683 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.028 11.096 -10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.513 8.500 -9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.737 7.258 -9.814 1.00 0.00 H new ATOM 212 N GLN A 82 -3.831 10.515 -10.397 1.00 0.00 N ATOM 213 CA GLN A 82 -5.261 10.604 -10.816 1.00 0.00 C ATOM 214 C GLN A 82 -6.002 11.545 -9.849 1.00 0.00 C ATOM 215 O GLN A 82 -6.908 12.256 -10.236 1.00 0.00 O ATOM 216 CB GLN A 82 -5.855 9.168 -10.807 1.00 0.00 C ATOM 217 CG GLN A 82 -7.268 9.118 -10.202 1.00 0.00 C ATOM 218 CD GLN A 82 -8.195 10.076 -10.952 1.00 0.00 C ATOM 219 OE1 GLN A 82 -7.893 10.500 -12.051 1.00 0.00 O ATOM 220 NE2 GLN A 82 -9.321 10.438 -10.400 1.00 0.00 N ATOM 0 H GLN A 82 -3.631 9.806 -9.692 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.365 11.013 -11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.886 8.785 -11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.197 8.510 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.660 8.102 -10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.230 9.388 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.575 10.082 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.947 11.076 -10.890 1.00 0.00 H new ATOM 229 N ALA A 83 -5.629 11.544 -8.598 1.00 0.00 N ATOM 230 CA ALA A 83 -6.315 12.424 -7.609 1.00 0.00 C ATOM 231 C ALA A 83 -6.135 13.893 -8.000 1.00 0.00 C ATOM 232 O ALA A 83 -6.890 14.749 -7.586 1.00 0.00 O ATOM 233 CB ALA A 83 -5.717 12.194 -6.219 1.00 0.00 C ATOM 0 H ALA A 83 -4.877 10.970 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.378 12.183 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.219 12.837 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.853 11.151 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.653 12.429 -6.237 1.00 0.00 H new ATOM 239 N ILE A 84 -5.138 14.195 -8.788 1.00 0.00 N ATOM 240 CA ILE A 84 -4.912 15.617 -9.198 1.00 0.00 C ATOM 241 C ILE A 84 -5.691 15.921 -10.478 1.00 0.00 C ATOM 242 O ILE A 84 -5.673 17.030 -10.975 1.00 0.00 O ATOM 243 CB ILE A 84 -3.412 15.876 -9.421 1.00 0.00 C ATOM 244 CG1 ILE A 84 -2.787 14.784 -10.310 1.00 0.00 C ATOM 245 CG2 ILE A 84 -2.698 15.885 -8.069 1.00 0.00 C ATOM 246 CD1 ILE A 84 -3.335 14.865 -11.742 1.00 0.00 C ATOM 0 H ILE A 84 -4.471 13.523 -9.166 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.266 16.272 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.299 16.838 -9.920 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.703 14.897 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.000 13.801 -9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.634 16.068 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.116 16.672 -7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.834 14.921 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.879 14.084 -12.351 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.416 14.728 -11.726 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.099 15.841 -12.167 1.00 0.00 H new ATOM 258 N ASP A 85 -6.380 14.946 -11.018 1.00 0.00 N ATOM 259 CA ASP A 85 -7.169 15.176 -12.269 1.00 0.00 C ATOM 260 C ASP A 85 -8.647 15.407 -11.889 1.00 0.00 C ATOM 261 O ASP A 85 -9.221 14.599 -11.189 1.00 0.00 O ATOM 262 CB ASP A 85 -7.056 13.931 -13.164 1.00 0.00 C ATOM 263 CG ASP A 85 -7.371 14.300 -14.616 1.00 0.00 C ATOM 264 OD1 ASP A 85 -8.390 14.930 -14.841 1.00 0.00 O ATOM 265 OD2 ASP A 85 -6.587 13.945 -15.480 1.00 0.00 O ATOM 0 H ASP A 85 -6.430 13.998 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.787 16.046 -12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.051 13.514 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.745 13.161 -12.818 1.00 0.00 H new ATOM 270 N PRO A 86 -9.269 16.486 -12.328 1.00 0.00 N ATOM 271 CA PRO A 86 -10.695 16.775 -11.993 1.00 0.00 C ATOM 272 C PRO A 86 -11.581 15.518 -11.973 1.00 0.00 C ATOM 273 O PRO A 86 -12.447 15.376 -11.130 1.00 0.00 O ATOM 274 CB PRO A 86 -11.125 17.729 -13.106 1.00 0.00 C ATOM 275 CG PRO A 86 -9.887 18.502 -13.436 1.00 0.00 C ATOM 276 CD PRO A 86 -8.702 17.553 -13.183 1.00 0.00 C ATOM 0 HA PRO A 86 -10.799 17.188 -10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.496 17.184 -13.974 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.928 18.388 -12.776 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.903 18.836 -14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.809 19.394 -12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.309 17.149 -14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.879 18.067 -12.686 1.00 0.00 H new ATOM 284 N LYS A 87 -11.383 14.611 -12.891 1.00 0.00 N ATOM 285 CA LYS A 87 -12.228 13.382 -12.905 1.00 0.00 C ATOM 286 C LYS A 87 -12.227 12.753 -11.512 1.00 0.00 C ATOM 287 O LYS A 87 -13.069 11.940 -11.184 1.00 0.00 O ATOM 288 CB LYS A 87 -11.676 12.380 -13.925 1.00 0.00 C ATOM 289 CG LYS A 87 -10.164 12.235 -13.740 1.00 0.00 C ATOM 290 CD LYS A 87 -9.675 10.965 -14.442 1.00 0.00 C ATOM 291 CE LYS A 87 -10.086 10.999 -15.916 1.00 0.00 C ATOM 292 NZ LYS A 87 -9.788 12.343 -16.488 1.00 0.00 N ATOM 0 H LYS A 87 -10.679 14.666 -13.627 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.247 13.647 -13.186 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.162 11.413 -13.798 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.897 12.718 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.653 13.107 -14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.921 12.191 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.591 10.886 -14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.097 10.085 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.550 10.229 -16.471 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.149 10.779 -16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.657 12.261 -17.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.579 12.988 -16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.919 12.719 -16.057 1.00 0.00 H new ATOM 306 N ASN A 88 -11.291 13.130 -10.685 1.00 0.00 N ATOM 307 CA ASN A 88 -11.242 12.562 -9.311 1.00 0.00 C ATOM 308 C ASN A 88 -12.327 13.224 -8.458 1.00 0.00 C ATOM 309 O ASN A 88 -13.110 12.565 -7.806 1.00 0.00 O ATOM 310 CB ASN A 88 -9.849 12.803 -8.698 1.00 0.00 C ATOM 311 CG ASN A 88 -9.720 14.236 -8.155 1.00 0.00 C ATOM 312 OD1 ASN A 88 -9.452 14.427 -6.986 1.00 0.00 O ATOM 313 ND2 ASN A 88 -9.899 15.254 -8.954 1.00 0.00 N ATOM 0 H ASN A 88 -10.559 13.806 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.422 11.487 -9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.675 12.089 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.082 12.627 -9.452 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.814 16.205 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.124 15.098 -9.936 1.00 0.00 H new ATOM 320 N LEU A 89 -12.382 14.525 -8.469 1.00 0.00 N ATOM 321 CA LEU A 89 -13.416 15.232 -7.672 1.00 0.00 C ATOM 322 C LEU A 89 -14.799 14.829 -8.189 1.00 0.00 C ATOM 323 O LEU A 89 -15.790 14.944 -7.496 1.00 0.00 O ATOM 324 CB LEU A 89 -13.203 16.749 -7.811 1.00 0.00 C ATOM 325 CG LEU A 89 -14.409 17.539 -7.225 1.00 0.00 C ATOM 326 CD1 LEU A 89 -13.910 18.788 -6.484 1.00 0.00 C ATOM 327 CD2 LEU A 89 -15.353 17.991 -8.352 1.00 0.00 C ATOM 0 H LEU A 89 -11.753 15.129 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.341 14.963 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.288 17.040 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.072 17.006 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.942 16.882 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.761 19.334 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.249 18.489 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.365 19.429 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.191 18.542 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.811 18.634 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.727 17.117 -8.886 1.00 0.00 H new ATOM 339 N SER A 90 -14.875 14.351 -9.407 1.00 0.00 N ATOM 340 CA SER A 90 -16.189 13.934 -9.976 1.00 0.00 C ATOM 341 C SER A 90 -16.391 12.423 -9.788 1.00 0.00 C ATOM 342 O SER A 90 -17.500 11.954 -9.627 1.00 0.00 O ATOM 343 CB SER A 90 -16.223 14.260 -11.472 1.00 0.00 C ATOM 344 OG SER A 90 -15.588 13.214 -12.195 1.00 0.00 O ATOM 0 H SER A 90 -14.078 14.232 -10.032 1.00 0.00 H new ATOM 0 HA SER A 90 -16.984 14.471 -9.459 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.254 14.376 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.718 15.207 -11.661 1.00 0.00 H new ATOM 0 HG SER A 90 -16.259 12.717 -12.708 1.00 0.00 H new ATOM 350 N ARG A 91 -15.332 11.656 -9.833 1.00 0.00 N ATOM 351 CA ARG A 91 -15.468 10.173 -9.685 1.00 0.00 C ATOM 352 C ARG A 91 -15.693 9.796 -8.220 1.00 0.00 C ATOM 353 O ARG A 91 -16.519 8.959 -7.916 1.00 0.00 O ATOM 354 CB ARG A 91 -14.191 9.496 -10.197 1.00 0.00 C ATOM 355 CG ARG A 91 -14.321 7.961 -10.096 1.00 0.00 C ATOM 356 CD ARG A 91 -14.044 7.452 -8.659 1.00 0.00 C ATOM 357 NE ARG A 91 -13.216 6.214 -8.729 1.00 0.00 N ATOM 358 CZ ARG A 91 -11.954 6.288 -9.053 1.00 0.00 C ATOM 359 NH1 ARG A 91 -11.232 5.203 -9.121 1.00 0.00 N ATOM 360 NH2 ARG A 91 -11.413 7.450 -9.304 1.00 0.00 N ATOM 0 H ARG A 91 -14.378 11.991 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 91 -16.327 9.838 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.008 9.785 -11.232 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.334 9.834 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.323 7.661 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.623 7.491 -10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.526 8.218 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.983 7.247 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.637 5.308 -8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.654 4.296 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.246 5.262 -9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.977 8.298 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.427 7.509 -9.557 1.00 0.00 H new ATOM 374 N LEU A 92 -14.968 10.397 -7.309 1.00 0.00 N ATOM 375 CA LEU A 92 -15.147 10.058 -5.862 1.00 0.00 C ATOM 376 C LEU A 92 -16.639 9.980 -5.540 1.00 0.00 C ATOM 377 O LEU A 92 -17.048 9.383 -4.563 1.00 0.00 O ATOM 378 CB LEU A 92 -14.490 11.138 -4.997 1.00 0.00 C ATOM 379 CG LEU A 92 -12.959 11.053 -5.116 1.00 0.00 C ATOM 380 CD1 LEU A 92 -12.338 12.339 -4.560 1.00 0.00 C ATOM 381 CD2 LEU A 92 -12.420 9.841 -4.332 1.00 0.00 C ATOM 0 H LEU A 92 -14.261 11.106 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.680 9.096 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.833 12.124 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.789 11.013 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.693 10.934 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.252 12.284 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.702 13.194 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.617 12.455 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.335 9.798 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.687 9.940 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.856 8.926 -4.732 1.00 0.00 H new ATOM 393 N PHE A 93 -17.452 10.567 -6.376 1.00 0.00 N ATOM 394 CA PHE A 93 -18.930 10.530 -6.167 1.00 0.00 C ATOM 395 C PHE A 93 -19.546 9.569 -7.200 1.00 0.00 C ATOM 396 O PHE A 93 -19.680 9.922 -8.356 1.00 0.00 O ATOM 397 CB PHE A 93 -19.496 11.936 -6.387 1.00 0.00 C ATOM 398 CG PHE A 93 -19.026 12.843 -5.275 1.00 0.00 C ATOM 399 CD1 PHE A 93 -17.869 13.614 -5.440 1.00 0.00 C ATOM 400 CD2 PHE A 93 -19.747 12.912 -4.078 1.00 0.00 C ATOM 401 CE1 PHE A 93 -17.433 14.453 -4.407 1.00 0.00 C ATOM 402 CE2 PHE A 93 -19.312 13.751 -3.045 1.00 0.00 C ATOM 403 CZ PHE A 93 -18.155 14.522 -3.209 1.00 0.00 C ATOM 0 H PHE A 93 -17.152 11.078 -7.206 1.00 0.00 H new ATOM 0 HA PHE A 93 -19.163 10.193 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -19.170 12.325 -7.352 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -20.585 11.903 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.313 13.562 -6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.640 12.318 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.540 15.047 -4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -19.869 13.803 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.820 15.169 -2.412 1.00 0.00 H new ATOM 413 N PRO A 94 -19.909 8.363 -6.812 1.00 0.00 N ATOM 414 CA PRO A 94 -20.506 7.371 -7.759 1.00 0.00 C ATOM 415 C PRO A 94 -21.581 8.000 -8.650 1.00 0.00 C ATOM 416 O PRO A 94 -22.051 7.398 -9.595 1.00 0.00 O ATOM 417 CB PRO A 94 -21.110 6.310 -6.832 1.00 0.00 C ATOM 418 CG PRO A 94 -20.248 6.344 -5.611 1.00 0.00 C ATOM 419 CD PRO A 94 -19.800 7.802 -5.449 1.00 0.00 C ATOM 0 HA PRO A 94 -19.769 6.967 -8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -22.148 6.538 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -21.100 5.324 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.800 6.006 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.389 5.682 -5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.435 8.339 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.780 7.866 -5.071 1.00 0.00 H new ATOM 427 N GLY A 95 -21.970 9.210 -8.356 1.00 0.00 N ATOM 428 CA GLY A 95 -23.008 9.886 -9.180 1.00 0.00 C ATOM 429 C GLY A 95 -22.680 9.721 -10.666 1.00 0.00 C ATOM 430 O GLY A 95 -23.512 9.953 -11.521 1.00 0.00 O ATOM 0 H GLY A 95 -21.611 9.761 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.989 9.462 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -23.056 10.944 -8.924 1.00 0.00 H new ATOM 434 N TRP A 96 -21.476 9.320 -10.988 1.00 0.00 N ATOM 435 CA TRP A 96 -21.112 9.142 -12.426 1.00 0.00 C ATOM 436 C TRP A 96 -22.215 8.334 -13.130 1.00 0.00 C ATOM 437 O TRP A 96 -22.278 8.274 -14.342 1.00 0.00 O ATOM 438 CB TRP A 96 -19.764 8.391 -12.526 1.00 0.00 C ATOM 439 CG TRP A 96 -18.632 9.371 -12.607 1.00 0.00 C ATOM 440 CD1 TRP A 96 -18.419 10.387 -11.741 1.00 0.00 C ATOM 441 CD2 TRP A 96 -17.565 9.447 -13.598 1.00 0.00 C ATOM 442 NE1 TRP A 96 -17.290 11.080 -12.136 1.00 0.00 N ATOM 443 CE2 TRP A 96 -16.729 10.540 -13.273 1.00 0.00 C ATOM 444 CE3 TRP A 96 -17.245 8.683 -14.734 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -15.615 10.864 -14.044 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -16.121 9.007 -15.515 1.00 0.00 C ATOM 447 CH2 TRP A 96 -15.309 10.096 -15.170 1.00 0.00 C ATOM 0 H TRP A 96 -20.733 9.109 -10.321 1.00 0.00 H new ATOM 0 HA TRP A 96 -21.015 10.116 -12.906 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -19.634 7.744 -11.658 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -19.762 7.748 -13.406 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -19.031 10.619 -10.882 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -16.917 11.893 -11.645 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -17.866 7.843 -15.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -14.992 11.703 -13.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -15.882 8.413 -16.385 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -14.448 10.341 -15.774 1.00 0.00 H new ATOM 458 N LYS A 97 -23.076 7.710 -12.375 1.00 0.00 N ATOM 459 CA LYS A 97 -24.167 6.901 -12.982 1.00 0.00 C ATOM 460 C LYS A 97 -25.179 7.817 -13.679 1.00 0.00 C ATOM 461 O LYS A 97 -26.062 7.359 -14.378 1.00 0.00 O ATOM 462 CB LYS A 97 -24.872 6.103 -11.884 1.00 0.00 C ATOM 463 CG LYS A 97 -23.896 5.076 -11.298 1.00 0.00 C ATOM 464 CD LYS A 97 -24.578 4.276 -10.175 1.00 0.00 C ATOM 465 CE LYS A 97 -24.517 5.054 -8.854 1.00 0.00 C ATOM 466 NZ LYS A 97 -25.053 4.203 -7.754 1.00 0.00 N ATOM 0 H LYS A 97 -23.069 7.727 -11.355 1.00 0.00 H new ATOM 0 HA LYS A 97 -23.741 6.220 -13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -25.226 6.774 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -25.748 5.598 -12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -23.555 4.399 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -23.013 5.583 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -25.616 4.077 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -24.088 3.309 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -23.489 5.344 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -25.097 5.973 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.013 4.728 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -26.040 3.948 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.481 3.338 -7.674 1.00 0.00 H new ATOM 480 N ALA A 98 -25.061 9.107 -13.492 1.00 0.00 N ATOM 481 CA ALA A 98 -26.005 10.064 -14.129 1.00 0.00 C ATOM 482 C ALA A 98 -25.301 10.732 -15.301 1.00 0.00 C ATOM 483 O ALA A 98 -25.918 11.297 -16.181 1.00 0.00 O ATOM 484 CB ALA A 98 -26.389 11.133 -13.109 1.00 0.00 C ATOM 0 H ALA A 98 -24.339 9.540 -12.916 1.00 0.00 H new ATOM 0 HA ALA A 98 -26.897 9.541 -14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -27.081 11.840 -13.566 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -26.866 10.662 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -25.494 11.662 -12.782 1.00 0.00 H new ATOM 490 N TRP A 99 -24.004 10.683 -15.296 1.00 0.00 N ATOM 491 CA TRP A 99 -23.226 11.322 -16.377 1.00 0.00 C ATOM 492 C TRP A 99 -23.287 10.464 -17.644 1.00 0.00 C ATOM 493 O TRP A 99 -22.851 10.871 -18.702 1.00 0.00 O ATOM 494 CB TRP A 99 -21.770 11.476 -15.931 1.00 0.00 C ATOM 495 CG TRP A 99 -21.695 12.403 -14.755 1.00 0.00 C ATOM 496 CD1 TRP A 99 -22.325 12.215 -13.570 1.00 0.00 C ATOM 497 CD2 TRP A 99 -20.960 13.654 -14.628 1.00 0.00 C ATOM 498 NE1 TRP A 99 -22.017 13.261 -12.728 1.00 0.00 N ATOM 499 CE2 TRP A 99 -21.184 14.178 -13.333 1.00 0.00 C ATOM 500 CE3 TRP A 99 -20.129 14.379 -15.501 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -20.606 15.375 -12.917 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -19.544 15.587 -15.086 1.00 0.00 C ATOM 503 CH2 TRP A 99 -19.783 16.084 -13.796 1.00 0.00 C ATOM 0 H TRP A 99 -23.445 10.221 -14.579 1.00 0.00 H new ATOM 0 HA TRP A 99 -23.649 12.303 -16.592 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -21.356 10.503 -15.666 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -21.168 11.865 -16.752 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -22.965 11.380 -13.325 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -22.363 13.347 -11.772 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -19.940 14.005 -16.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -20.793 15.752 -11.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -18.907 16.136 -15.764 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -19.331 17.014 -13.483 1.00 0.00 H new ATOM 514 N VAL A 100 -23.823 9.278 -17.544 1.00 0.00 N ATOM 515 CA VAL A 100 -23.909 8.398 -18.737 1.00 0.00 C ATOM 516 C VAL A 100 -24.580 9.156 -19.885 1.00 0.00 C ATOM 517 O VAL A 100 -24.341 8.797 -21.026 1.00 0.00 O ATOM 518 CB VAL A 100 -24.734 7.159 -18.389 1.00 0.00 C ATOM 519 CG1 VAL A 100 -23.978 6.311 -17.364 1.00 0.00 C ATOM 520 CG2 VAL A 100 -26.082 7.586 -17.801 1.00 0.00 C ATOM 521 OXT VAL A 100 -25.320 10.085 -19.602 1.00 0.00 O ATOM 0 H VAL A 100 -24.205 8.883 -16.685 1.00 0.00 H new ATOM 0 HA VAL A 100 -22.907 8.096 -19.043 1.00 0.00 H new ATOM 0 HB VAL A 100 -24.902 6.574 -19.293 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -24.567 5.428 -17.117 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -23.020 6.002 -17.783 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -23.807 6.898 -16.461 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -26.668 6.701 -17.554 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -25.915 8.174 -16.899 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -26.623 8.187 -18.531 1.00 0.00 H new TER 531 VAL A 100