USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=9 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 :FLIP amide:sc= -3.15! C(o=-15!,f=-12!) USER MOD Set 1.2: A 81 GLN :FLIP amide:sc= -8.44! C(o=-17!,f=-12!) USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.0864 USER MOD Single : A 71 SER OG : rot 18:sc= 0.726 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.852 F(o=-6!,f=-0.85) USER MOD Single : A 82 GLN :FLIP amide:sc= -3.42! C(o=-5.9!,f=-3.4!) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -0.227 (180deg=-1.06) USER MOD Single : A 88 ASN :FLIP amide:sc= -2.13! C(o=-12!,f=-2.1!) USER MOD Single : A 90 SER OG : rot 16:sc= -0.275 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 -1.548 -7.563 -3.435 1.00 0.00 N ATOM 2 CA THR A 68 -1.892 -6.833 -4.688 1.00 0.00 C ATOM 3 C THR A 68 -0.943 -7.269 -5.807 1.00 0.00 C ATOM 4 O THR A 68 -0.603 -8.429 -5.931 1.00 0.00 O ATOM 5 CB THR A 68 -1.755 -5.320 -4.445 1.00 0.00 C ATOM 6 OG1 THR A 68 -2.173 -5.021 -3.121 1.00 0.00 O ATOM 7 CG2 THR A 68 -2.627 -4.543 -5.439 1.00 0.00 C ATOM 0 HA THR A 68 -2.917 -7.061 -4.980 1.00 0.00 H new ATOM 0 HB THR A 68 -0.714 -5.029 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.026 -5.802 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.522 -3.474 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.310 -4.771 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.670 -4.832 -5.311 1.00 0.00 H new ATOM 15 N VAL A 69 -0.521 -6.346 -6.622 1.00 0.00 N ATOM 16 CA VAL A 69 0.398 -6.689 -7.737 1.00 0.00 C ATOM 17 C VAL A 69 1.838 -6.720 -7.221 1.00 0.00 C ATOM 18 O VAL A 69 2.716 -6.072 -7.752 1.00 0.00 O ATOM 19 CB VAL A 69 0.251 -5.642 -8.849 1.00 0.00 C ATOM 20 CG1 VAL A 69 -1.192 -5.671 -9.367 1.00 0.00 C ATOM 21 CG2 VAL A 69 0.573 -4.238 -8.303 1.00 0.00 C ATOM 0 H VAL A 69 -0.776 -5.360 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 69 0.149 -7.672 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 69 0.945 -5.871 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.309 -4.931 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.417 -6.662 -9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.876 -5.441 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.465 -3.504 -9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.114 -3.996 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.596 -4.219 -7.928 1.00 0.00 H new ATOM 31 N LEU A 70 2.079 -7.474 -6.181 1.00 0.00 N ATOM 32 CA LEU A 70 3.455 -7.557 -5.610 1.00 0.00 C ATOM 33 C LEU A 70 3.895 -6.163 -5.162 1.00 0.00 C ATOM 34 O LEU A 70 5.021 -5.957 -4.755 1.00 0.00 O ATOM 35 CB LEU A 70 4.434 -8.093 -6.662 1.00 0.00 C ATOM 36 CG LEU A 70 3.824 -9.305 -7.373 1.00 0.00 C ATOM 37 CD1 LEU A 70 4.796 -9.807 -8.444 1.00 0.00 C ATOM 38 CD2 LEU A 70 3.567 -10.421 -6.355 1.00 0.00 C ATOM 0 H LEU A 70 1.378 -8.038 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 70 3.451 -8.236 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.665 -7.313 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.374 -8.374 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 70 2.882 -9.017 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.364 -10.670 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.980 -9.014 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.737 -10.095 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.133 -11.283 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.508 -10.711 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.877 -10.064 -5.590 1.00 0.00 H new ATOM 50 N SER A 71 3.007 -5.210 -5.227 1.00 0.00 N ATOM 51 CA SER A 71 3.354 -3.828 -4.802 1.00 0.00 C ATOM 52 C SER A 71 2.100 -2.966 -4.829 1.00 0.00 C ATOM 53 O SER A 71 1.503 -2.731 -5.861 1.00 0.00 O ATOM 54 CB SER A 71 4.412 -3.241 -5.741 1.00 0.00 C ATOM 55 OG SER A 71 5.682 -3.795 -5.423 1.00 0.00 O ATOM 0 H SER A 71 2.050 -5.332 -5.559 1.00 0.00 H new ATOM 0 HA SER A 71 3.759 -3.850 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.156 -3.460 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.441 -2.156 -5.642 1.00 0.00 H new ATOM 0 HG SER A 71 5.560 -4.607 -4.887 1.00 0.00 H new ATOM 61 N VAL A 72 1.701 -2.499 -3.686 1.00 0.00 N ATOM 62 CA VAL A 72 0.489 -1.652 -3.597 1.00 0.00 C ATOM 63 C VAL A 72 0.773 -0.282 -4.214 1.00 0.00 C ATOM 64 O VAL A 72 -0.115 0.382 -4.716 1.00 0.00 O ATOM 65 CB VAL A 72 0.128 -1.492 -2.126 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.122 -2.872 -1.514 1.00 0.00 C ATOM 67 CG2 VAL A 72 1.287 -0.816 -1.393 1.00 0.00 C ATOM 0 H VAL A 72 2.170 -2.671 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.337 -2.114 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.770 -0.882 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.381 -2.762 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.943 -3.360 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.779 -3.479 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.033 -0.699 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.183 -1.430 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.473 0.164 -1.832 1.00 0.00 H new ATOM 77 N GLY A 73 2.009 0.144 -4.182 1.00 0.00 N ATOM 78 CA GLY A 73 2.362 1.471 -4.766 1.00 0.00 C ATOM 79 C GLY A 73 1.686 1.633 -6.127 1.00 0.00 C ATOM 80 O GLY A 73 1.554 2.724 -6.638 1.00 0.00 O ATOM 0 H GLY A 73 2.790 -0.371 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.046 2.270 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.443 1.555 -4.874 1.00 0.00 H new ATOM 84 N GLY A 74 1.253 0.553 -6.716 1.00 0.00 N ATOM 85 CA GLY A 74 0.585 0.644 -8.043 1.00 0.00 C ATOM 86 C GLY A 74 -0.727 1.421 -7.914 1.00 0.00 C ATOM 87 O GLY A 74 -0.956 2.394 -8.606 1.00 0.00 O ATOM 0 H GLY A 74 1.333 -0.390 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.242 1.140 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.389 -0.356 -8.430 1.00 0.00 H new ATOM 91 N GLN A 75 -1.594 0.998 -7.034 1.00 0.00 N ATOM 92 CA GLN A 75 -2.890 1.706 -6.873 1.00 0.00 C ATOM 93 C GLN A 75 -2.667 3.021 -6.131 1.00 0.00 C ATOM 94 O GLN A 75 -3.306 4.016 -6.408 1.00 0.00 O ATOM 95 CB GLN A 75 -3.865 0.824 -6.080 1.00 0.00 C ATOM 96 CG GLN A 75 -4.455 -0.249 -7.000 1.00 0.00 C ATOM 97 CD GLN A 75 -3.341 -1.176 -7.489 1.00 0.00 C ATOM 98 OE1 GLN A 75 -2.327 -1.428 -6.706 1.00 0.00 O flip ATOM 99 NE2 GLN A 75 -3.393 -1.677 -8.595 1.00 0.00 N flip ATOM 0 H GLN A 75 -1.458 0.194 -6.422 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.312 1.914 -7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.348 0.355 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.663 1.435 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.212 -0.824 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.951 0.219 -7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.185 -1.481 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.645 -2.294 -8.911 1.00 0.00 H new ATOM 108 N VAL A 76 -1.766 3.042 -5.191 1.00 0.00 N ATOM 109 CA VAL A 76 -1.520 4.304 -4.444 1.00 0.00 C ATOM 110 C VAL A 76 -0.938 5.343 -5.399 1.00 0.00 C ATOM 111 O VAL A 76 -1.502 6.404 -5.594 1.00 0.00 O ATOM 112 CB VAL A 76 -0.543 4.042 -3.297 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.547 5.236 -2.341 1.00 0.00 C ATOM 114 CG2 VAL A 76 -0.975 2.783 -2.539 1.00 0.00 C ATOM 0 H VAL A 76 -1.193 2.246 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.457 4.676 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 76 0.460 3.901 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.149 5.050 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.243 6.134 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.550 5.376 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.280 2.594 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.978 2.926 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.975 1.931 -3.219 1.00 0.00 H new ATOM 124 N ASN A 77 0.182 5.053 -6.005 1.00 0.00 N ATOM 125 CA ASN A 77 0.777 6.038 -6.948 1.00 0.00 C ATOM 126 C ASN A 77 -0.275 6.412 -7.998 1.00 0.00 C ATOM 127 O ASN A 77 -0.295 7.511 -8.507 1.00 0.00 O ATOM 128 CB ASN A 77 2.036 5.442 -7.615 1.00 0.00 C ATOM 129 CG ASN A 77 1.670 4.607 -8.849 1.00 0.00 C ATOM 130 OD1 ASN A 77 1.161 5.199 -9.895 1.00 0.00 O flip ATOM 131 ND2 ASN A 77 1.856 3.408 -8.865 1.00 0.00 N flip ATOM 0 H ASN A 77 0.705 4.185 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 77 1.080 6.936 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.712 6.246 -7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.570 4.820 -6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.254 2.943 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.615 2.866 -9.694 1.00 0.00 H new ATOM 138 N LEU A 78 -1.149 5.501 -8.324 1.00 0.00 N ATOM 139 CA LEU A 78 -2.197 5.807 -9.337 1.00 0.00 C ATOM 140 C LEU A 78 -3.241 6.744 -8.719 1.00 0.00 C ATOM 141 O LEU A 78 -3.754 7.631 -9.371 1.00 0.00 O ATOM 142 CB LEU A 78 -2.865 4.497 -9.778 1.00 0.00 C ATOM 143 CG LEU A 78 -3.854 4.750 -10.934 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.104 4.844 -12.270 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.856 3.591 -11.006 1.00 0.00 C ATOM 0 H LEU A 78 -1.183 4.559 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.748 6.294 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.104 3.784 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.391 4.050 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.376 5.689 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.816 5.023 -13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.389 5.666 -12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.573 3.910 -12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.557 3.766 -11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.321 2.658 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.403 3.524 -10.066 1.00 0.00 H new ATOM 157 N LEU A 79 -3.564 6.550 -7.470 1.00 0.00 N ATOM 158 CA LEU A 79 -4.580 7.426 -6.821 1.00 0.00 C ATOM 159 C LEU A 79 -4.078 8.880 -6.823 1.00 0.00 C ATOM 160 O LEU A 79 -4.835 9.803 -7.049 1.00 0.00 O ATOM 161 CB LEU A 79 -4.823 6.938 -5.369 1.00 0.00 C ATOM 162 CG LEU A 79 -6.129 6.129 -5.275 1.00 0.00 C ATOM 163 CD1 LEU A 79 -5.985 4.807 -6.036 1.00 0.00 C ATOM 164 CD2 LEU A 79 -6.437 5.838 -3.802 1.00 0.00 C ATOM 0 H LEU A 79 -3.169 5.824 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.519 7.379 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.985 6.323 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.871 7.794 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.941 6.706 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.914 4.242 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.766 5.012 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.172 4.225 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.361 5.265 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.619 5.264 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.550 6.778 -3.261 1.00 0.00 H new ATOM 176 N ILE A 80 -2.815 9.099 -6.559 1.00 0.00 N ATOM 177 CA ILE A 80 -2.295 10.499 -6.536 1.00 0.00 C ATOM 178 C ILE A 80 -1.990 10.970 -7.970 1.00 0.00 C ATOM 179 O ILE A 80 -2.360 12.060 -8.353 1.00 0.00 O ATOM 180 CB ILE A 80 -1.036 10.582 -5.623 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.031 11.658 -6.111 1.00 0.00 C ATOM 182 CG2 ILE A 80 -0.327 9.225 -5.591 1.00 0.00 C ATOM 183 CD1 ILE A 80 -0.705 13.030 -6.292 1.00 0.00 C ATOM 0 H ILE A 80 -2.126 8.374 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.052 11.164 -6.121 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.379 10.860 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.785 11.746 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.409 11.342 -7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.553 9.289 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.007 8.469 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.022 8.950 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.033 13.755 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.504 12.949 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.122 13.359 -5.340 1.00 0.00 H new ATOM 195 N GLN A 81 -1.321 10.176 -8.765 1.00 0.00 N ATOM 196 CA GLN A 81 -1.004 10.625 -10.158 1.00 0.00 C ATOM 197 C GLN A 81 -2.290 11.065 -10.873 1.00 0.00 C ATOM 198 O GLN A 81 -2.294 12.028 -11.612 1.00 0.00 O ATOM 199 CB GLN A 81 -0.335 9.474 -10.950 1.00 0.00 C ATOM 200 CG GLN A 81 1.201 9.528 -10.824 1.00 0.00 C ATOM 201 CD GLN A 81 1.637 8.970 -9.471 1.00 0.00 C ATOM 202 OE1 GLN A 81 1.153 9.489 -8.379 1.00 0.00 O flip ATOM 203 NE2 GLN A 81 2.429 8.051 -9.407 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.983 9.246 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.316 11.469 -10.106 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.699 8.515 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.619 9.539 -12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.660 8.953 -11.628 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.546 10.556 -10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.808 7.644 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.715 7.686 -8.498 1.00 0.00 H new ATOM 212 N GLN A 82 -3.374 10.364 -10.681 1.00 0.00 N ATOM 213 CA GLN A 82 -4.636 10.754 -11.377 1.00 0.00 C ATOM 214 C GLN A 82 -5.319 11.901 -10.627 1.00 0.00 C ATOM 215 O GLN A 82 -5.989 12.726 -11.217 1.00 0.00 O ATOM 216 CB GLN A 82 -5.576 9.541 -11.443 1.00 0.00 C ATOM 217 CG GLN A 82 -6.133 9.211 -10.042 1.00 0.00 C ATOM 218 CD GLN A 82 -7.429 9.992 -9.774 1.00 0.00 C ATOM 219 OE1 GLN A 82 -7.794 10.945 -10.588 1.00 0.00 O flip ATOM 220 NE2 GLN A 82 -8.116 9.727 -8.809 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.442 9.544 -10.078 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.401 11.088 -12.387 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.398 9.748 -12.128 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.040 8.679 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.325 8.141 -9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.391 9.457 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.834 8.983 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.976 10.248 -8.636 1.00 0.00 H new ATOM 229 N ALA A 83 -5.175 11.951 -9.333 1.00 0.00 N ATOM 230 CA ALA A 83 -5.837 13.031 -8.549 1.00 0.00 C ATOM 231 C ALA A 83 -5.255 14.408 -8.903 1.00 0.00 C ATOM 232 O ALA A 83 -5.784 15.422 -8.492 1.00 0.00 O ATOM 233 CB ALA A 83 -5.634 12.770 -7.056 1.00 0.00 C ATOM 0 H ALA A 83 -4.627 11.290 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.899 13.030 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.117 13.559 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.072 11.807 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.568 12.757 -6.831 1.00 0.00 H new ATOM 239 N ILE A 84 -4.171 14.462 -9.647 1.00 0.00 N ATOM 240 CA ILE A 84 -3.558 15.790 -10.007 1.00 0.00 C ATOM 241 C ILE A 84 -3.696 16.063 -11.509 1.00 0.00 C ATOM 242 O ILE A 84 -3.016 16.906 -12.057 1.00 0.00 O ATOM 243 CB ILE A 84 -2.074 15.800 -9.610 1.00 0.00 C ATOM 244 CG1 ILE A 84 -1.350 14.560 -10.170 1.00 0.00 C ATOM 245 CG2 ILE A 84 -1.965 15.794 -8.085 1.00 0.00 C ATOM 246 CD1 ILE A 84 -1.123 14.688 -11.683 1.00 0.00 C ATOM 0 H ILE A 84 -3.684 13.647 -10.020 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.086 16.574 -9.464 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.607 16.695 -10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.392 14.435 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.939 13.667 -9.962 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.914 15.801 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.459 16.678 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.444 14.899 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.610 13.799 -12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.084 14.788 -12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.513 15.568 -11.886 1.00 0.00 H new ATOM 258 N ASP A 85 -4.578 15.371 -12.181 1.00 0.00 N ATOM 259 CA ASP A 85 -4.754 15.615 -13.646 1.00 0.00 C ATOM 260 C ASP A 85 -6.139 15.114 -14.087 1.00 0.00 C ATOM 261 O ASP A 85 -6.666 14.178 -13.519 1.00 0.00 O ATOM 262 CB ASP A 85 -3.665 14.864 -14.422 1.00 0.00 C ATOM 263 CG ASP A 85 -3.682 13.383 -14.039 1.00 0.00 C ATOM 264 OD1 ASP A 85 -4.764 12.844 -13.883 1.00 0.00 O ATOM 265 OD2 ASP A 85 -2.611 12.811 -13.917 1.00 0.00 O ATOM 0 H ASP A 85 -5.182 14.651 -11.783 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.674 16.683 -13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.829 14.973 -15.494 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.688 15.294 -14.203 1.00 0.00 H new ATOM 270 N PRO A 86 -6.730 15.721 -15.094 1.00 0.00 N ATOM 271 CA PRO A 86 -8.070 15.300 -15.600 1.00 0.00 C ATOM 272 C PRO A 86 -7.995 13.970 -16.361 1.00 0.00 C ATOM 273 O PRO A 86 -8.824 13.671 -17.198 1.00 0.00 O ATOM 274 CB PRO A 86 -8.480 16.447 -16.534 1.00 0.00 C ATOM 275 CG PRO A 86 -7.189 17.018 -17.018 1.00 0.00 C ATOM 276 CD PRO A 86 -6.201 16.870 -15.858 1.00 0.00 C ATOM 0 HA PRO A 86 -8.785 15.129 -14.795 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.089 16.085 -17.363 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.072 17.195 -16.007 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.835 16.488 -17.902 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.306 18.064 -17.300 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.189 16.682 -16.215 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.161 17.773 -15.248 1.00 0.00 H new ATOM 284 N LYS A 87 -7.003 13.169 -16.074 1.00 0.00 N ATOM 285 CA LYS A 87 -6.877 11.864 -16.778 1.00 0.00 C ATOM 286 C LYS A 87 -8.213 11.125 -16.705 1.00 0.00 C ATOM 287 O LYS A 87 -8.623 10.465 -17.640 1.00 0.00 O ATOM 288 CB LYS A 87 -5.784 11.023 -16.104 1.00 0.00 C ATOM 289 CG LYS A 87 -4.389 11.579 -16.456 1.00 0.00 C ATOM 290 CD LYS A 87 -3.887 10.964 -17.771 1.00 0.00 C ATOM 291 CE LYS A 87 -2.708 11.783 -18.304 1.00 0.00 C ATOM 292 NZ LYS A 87 -3.163 13.170 -18.609 1.00 0.00 N ATOM 0 H LYS A 87 -6.277 13.363 -15.384 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.609 12.032 -17.821 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.924 11.031 -15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.862 9.985 -16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.435 12.664 -16.548 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.688 11.357 -15.652 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.581 9.931 -17.607 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.692 10.945 -18.506 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.905 11.806 -17.567 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.303 11.316 -19.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.595 13.558 -19.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.166 13.154 -18.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.046 13.767 -17.766 1.00 0.00 H new ATOM 306 N ASN A 88 -8.900 11.242 -15.603 1.00 0.00 N ATOM 307 CA ASN A 88 -10.216 10.556 -15.468 1.00 0.00 C ATOM 308 C ASN A 88 -11.159 11.062 -16.559 1.00 0.00 C ATOM 309 O ASN A 88 -12.072 10.378 -16.975 1.00 0.00 O ATOM 310 CB ASN A 88 -10.815 10.863 -14.093 1.00 0.00 C ATOM 311 CG ASN A 88 -11.089 12.365 -13.974 1.00 0.00 C ATOM 312 OD1 ASN A 88 -10.489 13.194 -14.785 1.00 0.00 O flip ATOM 313 ND2 ASN A 88 -11.858 12.788 -13.134 1.00 0.00 N flip ATOM 0 H ASN A 88 -8.607 11.783 -14.789 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.080 9.479 -15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.740 10.303 -13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.129 10.545 -13.308 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.327 12.141 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.035 13.790 -13.063 1.00 0.00 H new ATOM 320 N LEU A 89 -10.939 12.260 -17.028 1.00 0.00 N ATOM 321 CA LEU A 89 -11.813 12.821 -18.094 1.00 0.00 C ATOM 322 C LEU A 89 -11.356 12.280 -19.449 1.00 0.00 C ATOM 323 O LEU A 89 -12.113 11.656 -20.166 1.00 0.00 O ATOM 324 CB LEU A 89 -11.706 14.352 -18.073 1.00 0.00 C ATOM 325 CG LEU A 89 -12.635 14.985 -19.146 1.00 0.00 C ATOM 326 CD1 LEU A 89 -13.276 16.266 -18.597 1.00 0.00 C ATOM 327 CD2 LEU A 89 -11.831 15.344 -20.407 1.00 0.00 C ATOM 0 H LEU A 89 -10.188 12.876 -16.716 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.850 12.532 -17.924 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.976 14.726 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.674 14.651 -18.257 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.408 14.258 -19.397 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.925 16.702 -19.356 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.864 16.028 -17.710 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.495 16.980 -18.334 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.496 15.786 -21.149 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.049 16.058 -20.149 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.377 14.442 -20.818 1.00 0.00 H new ATOM 339 N SER A 90 -10.120 12.506 -19.803 1.00 0.00 N ATOM 340 CA SER A 90 -9.617 11.994 -21.108 1.00 0.00 C ATOM 341 C SER A 90 -9.882 10.492 -21.191 1.00 0.00 C ATOM 342 O SER A 90 -9.953 9.918 -22.260 1.00 0.00 O ATOM 343 CB SER A 90 -8.114 12.250 -21.210 1.00 0.00 C ATOM 344 OG SER A 90 -7.492 11.884 -19.987 1.00 0.00 O ATOM 0 H SER A 90 -9.439 13.022 -19.246 1.00 0.00 H new ATOM 0 HA SER A 90 -10.128 12.504 -21.925 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.690 11.675 -22.033 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.926 13.302 -21.426 1.00 0.00 H new ATOM 0 HG SER A 90 -8.105 11.329 -19.462 1.00 0.00 H new ATOM 350 N ARG A 91 -10.026 9.852 -20.065 1.00 0.00 N ATOM 351 CA ARG A 91 -10.286 8.386 -20.065 1.00 0.00 C ATOM 352 C ARG A 91 -11.746 8.127 -20.448 1.00 0.00 C ATOM 353 O ARG A 91 -12.033 7.519 -21.459 1.00 0.00 O ATOM 354 CB ARG A 91 -10.008 7.825 -18.663 1.00 0.00 C ATOM 355 CG ARG A 91 -8.499 7.643 -18.470 1.00 0.00 C ATOM 356 CD ARG A 91 -8.186 7.483 -16.979 1.00 0.00 C ATOM 357 NE ARG A 91 -9.270 6.696 -16.325 1.00 0.00 N ATOM 358 CZ ARG A 91 -9.044 6.093 -15.189 1.00 0.00 C ATOM 359 NH1 ARG A 91 -9.991 5.402 -14.618 1.00 0.00 N ATOM 360 NH2 ARG A 91 -7.872 6.184 -14.626 1.00 0.00 N ATOM 0 H ARG A 91 -9.975 10.282 -19.142 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.634 7.895 -20.788 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.402 8.502 -17.905 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.519 6.871 -18.535 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.155 6.767 -19.020 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.964 8.503 -18.874 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.228 6.980 -16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.098 8.462 -16.508 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.188 6.629 -16.765 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.908 5.332 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.814 4.931 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.132 6.726 -15.073 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.695 5.713 -13.739 1.00 0.00 H new ATOM 374 N LEU A 92 -12.671 8.583 -19.648 1.00 0.00 N ATOM 375 CA LEU A 92 -14.109 8.358 -19.972 1.00 0.00 C ATOM 376 C LEU A 92 -14.385 8.806 -21.409 1.00 0.00 C ATOM 377 O LEU A 92 -15.305 8.336 -22.049 1.00 0.00 O ATOM 378 CB LEU A 92 -14.986 9.166 -19.010 1.00 0.00 C ATOM 379 CG LEU A 92 -14.714 8.735 -17.562 1.00 0.00 C ATOM 380 CD1 LEU A 92 -15.313 9.769 -16.608 1.00 0.00 C ATOM 381 CD2 LEU A 92 -15.345 7.359 -17.286 1.00 0.00 C ATOM 0 H LEU A 92 -12.494 9.100 -18.787 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.340 7.298 -19.870 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.781 10.230 -19.126 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -16.038 9.016 -19.251 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.637 8.666 -17.408 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.122 9.467 -15.578 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.856 10.741 -16.792 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.388 9.837 -16.773 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.144 7.067 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.422 7.414 -17.444 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.917 6.620 -17.963 1.00 0.00 H new ATOM 393 N PHE A 93 -13.598 9.710 -21.924 1.00 0.00 N ATOM 394 CA PHE A 93 -13.825 10.179 -23.320 1.00 0.00 C ATOM 395 C PHE A 93 -13.776 8.965 -24.266 1.00 0.00 C ATOM 396 O PHE A 93 -13.210 7.943 -23.932 1.00 0.00 O ATOM 397 CB PHE A 93 -12.724 11.199 -23.697 1.00 0.00 C ATOM 398 CG PHE A 93 -13.213 12.615 -23.456 1.00 0.00 C ATOM 399 CD1 PHE A 93 -12.884 13.632 -24.361 1.00 0.00 C ATOM 400 CD2 PHE A 93 -13.995 12.905 -22.331 1.00 0.00 C ATOM 401 CE1 PHE A 93 -13.337 14.938 -24.142 1.00 0.00 C ATOM 402 CE2 PHE A 93 -14.447 14.212 -22.111 1.00 0.00 C ATOM 403 CZ PHE A 93 -14.119 15.228 -23.017 1.00 0.00 C ATOM 0 H PHE A 93 -12.811 10.143 -21.441 1.00 0.00 H new ATOM 0 HA PHE A 93 -14.799 10.662 -23.406 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.827 11.011 -23.106 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.448 11.076 -24.744 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.280 13.408 -25.228 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -14.249 12.121 -21.633 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -13.084 15.722 -24.840 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.049 14.436 -21.243 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.469 16.236 -22.848 1.00 0.00 H new ATOM 413 N PRO A 94 -14.368 9.076 -25.436 1.00 0.00 N ATOM 414 CA PRO A 94 -14.389 7.970 -26.441 1.00 0.00 C ATOM 415 C PRO A 94 -13.052 7.216 -26.542 1.00 0.00 C ATOM 416 O PRO A 94 -12.975 6.153 -27.124 1.00 0.00 O ATOM 417 CB PRO A 94 -14.690 8.701 -27.754 1.00 0.00 C ATOM 418 CG PRO A 94 -15.526 9.878 -27.357 1.00 0.00 C ATOM 419 CD PRO A 94 -15.092 10.265 -25.933 1.00 0.00 C ATOM 0 HA PRO A 94 -15.115 7.201 -26.177 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.772 9.018 -28.249 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.223 8.056 -28.452 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.377 10.709 -28.047 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -16.586 9.627 -27.384 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -14.452 11.147 -25.938 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.952 10.499 -25.305 1.00 0.00 H new ATOM 427 N GLY A 95 -12.002 7.760 -25.994 1.00 0.00 N ATOM 428 CA GLY A 95 -10.677 7.080 -26.072 1.00 0.00 C ATOM 429 C GLY A 95 -10.809 5.603 -25.682 1.00 0.00 C ATOM 430 O GLY A 95 -10.256 4.731 -26.324 1.00 0.00 O ATOM 0 H GLY A 95 -12.003 8.649 -25.494 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.279 7.161 -27.083 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.968 7.575 -25.409 1.00 0.00 H new ATOM 434 N TRP A 96 -11.523 5.315 -24.629 1.00 0.00 N ATOM 435 CA TRP A 96 -11.676 3.896 -24.189 1.00 0.00 C ATOM 436 C TRP A 96 -12.289 3.058 -25.318 1.00 0.00 C ATOM 437 O TRP A 96 -12.157 1.851 -25.348 1.00 0.00 O ATOM 438 CB TRP A 96 -12.601 3.840 -22.964 1.00 0.00 C ATOM 439 CG TRP A 96 -11.860 4.262 -21.733 1.00 0.00 C ATOM 440 CD1 TRP A 96 -10.868 5.184 -21.690 1.00 0.00 C ATOM 441 CD2 TRP A 96 -12.039 3.794 -20.366 1.00 0.00 C ATOM 442 NE1 TRP A 96 -10.433 5.310 -20.383 1.00 0.00 N ATOM 443 CE2 TRP A 96 -11.122 4.473 -19.532 1.00 0.00 C ATOM 444 CE3 TRP A 96 -12.901 2.853 -19.774 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -11.061 4.230 -18.161 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -12.842 2.605 -18.393 1.00 0.00 C ATOM 447 CH2 TRP A 96 -11.923 3.293 -17.588 1.00 0.00 C ATOM 0 H TRP A 96 -12.009 6.001 -24.052 1.00 0.00 H new ATOM 0 HA TRP A 96 -10.695 3.495 -23.935 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.461 4.491 -23.120 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -12.986 2.828 -22.836 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -10.481 5.731 -22.537 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.692 5.945 -20.085 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -13.613 2.318 -20.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -10.351 4.763 -17.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -13.508 1.880 -17.949 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -11.882 3.098 -16.526 1.00 0.00 H new ATOM 458 N LYS A 97 -12.975 3.684 -26.232 1.00 0.00 N ATOM 459 CA LYS A 97 -13.614 2.920 -27.340 1.00 0.00 C ATOM 460 C LYS A 97 -12.557 2.152 -28.138 1.00 0.00 C ATOM 461 O LYS A 97 -12.887 1.332 -28.971 1.00 0.00 O ATOM 462 CB LYS A 97 -14.361 3.876 -28.285 1.00 0.00 C ATOM 463 CG LYS A 97 -15.310 4.817 -27.496 1.00 0.00 C ATOM 464 CD LYS A 97 -16.744 4.249 -27.439 1.00 0.00 C ATOM 465 CE LYS A 97 -16.816 3.015 -26.526 1.00 0.00 C ATOM 466 NZ LYS A 97 -18.184 2.915 -25.942 1.00 0.00 N ATOM 0 H LYS A 97 -13.121 4.693 -26.260 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.320 2.214 -26.903 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.642 4.470 -28.849 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.936 3.300 -29.010 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.930 4.954 -26.483 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.325 5.800 -27.967 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.428 5.015 -27.074 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.072 3.981 -28.443 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.583 2.114 -27.094 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.073 3.092 -25.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.237 2.081 -25.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.388 3.771 -25.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.882 2.823 -26.707 1.00 0.00 H new ATOM 480 N ALA A 98 -11.290 2.399 -27.893 1.00 0.00 N ATOM 481 CA ALA A 98 -10.218 1.680 -28.634 1.00 0.00 C ATOM 482 C ALA A 98 -9.506 0.752 -27.663 1.00 0.00 C ATOM 483 O ALA A 98 -8.846 -0.192 -28.050 1.00 0.00 O ATOM 484 CB ALA A 98 -9.217 2.694 -29.184 1.00 0.00 C ATOM 0 H ALA A 98 -10.957 3.074 -27.205 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.646 1.110 -29.459 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.430 2.171 -29.727 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.728 3.381 -29.858 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.777 3.255 -28.359 1.00 0.00 H new ATOM 490 N TRP A 99 -9.627 1.029 -26.397 1.00 0.00 N ATOM 491 CA TRP A 99 -8.951 0.187 -25.385 1.00 0.00 C ATOM 492 C TRP A 99 -9.733 -1.115 -25.205 1.00 0.00 C ATOM 493 O TRP A 99 -9.232 -2.084 -24.669 1.00 0.00 O ATOM 494 CB TRP A 99 -8.885 0.932 -24.048 1.00 0.00 C ATOM 495 CG TRP A 99 -8.237 2.278 -24.220 1.00 0.00 C ATOM 496 CD1 TRP A 99 -7.728 2.780 -25.377 1.00 0.00 C ATOM 497 CD2 TRP A 99 -8.014 3.302 -23.206 1.00 0.00 C ATOM 498 NE1 TRP A 99 -7.231 4.045 -25.134 1.00 0.00 N ATOM 499 CE2 TRP A 99 -7.378 4.410 -23.813 1.00 0.00 C ATOM 500 CE3 TRP A 99 -8.304 3.378 -21.832 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -7.042 5.551 -23.085 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -7.964 4.524 -21.095 1.00 0.00 C ATOM 503 CH2 TRP A 99 -7.334 5.608 -21.720 1.00 0.00 C ATOM 0 H TRP A 99 -10.169 1.807 -26.021 1.00 0.00 H new ATOM 0 HA TRP A 99 -7.938 -0.036 -25.721 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -9.890 1.056 -23.645 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -8.322 0.342 -23.325 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -7.715 2.272 -26.330 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -6.806 4.638 -25.847 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -8.792 2.549 -21.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -6.559 6.385 -23.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -8.190 4.570 -20.040 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -7.074 6.486 -21.148 1.00 0.00 H new ATOM 514 N VAL A 100 -10.961 -1.144 -25.649 1.00 0.00 N ATOM 515 CA VAL A 100 -11.786 -2.350 -25.516 1.00 0.00 C ATOM 516 C VAL A 100 -11.148 -3.483 -26.340 1.00 0.00 C ATOM 517 O VAL A 100 -11.469 -4.631 -26.078 1.00 0.00 O ATOM 518 CB VAL A 100 -13.201 -1.958 -26.011 1.00 0.00 C ATOM 519 CG1 VAL A 100 -13.695 -2.889 -27.103 1.00 0.00 C ATOM 520 CG2 VAL A 100 -14.186 -1.954 -24.844 1.00 0.00 C ATOM 521 OXT VAL A 100 -10.355 -3.179 -27.214 1.00 0.00 O ATOM 0 H VAL A 100 -11.425 -0.359 -26.106 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.855 -2.717 -24.492 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.134 -0.955 -26.434 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.690 -2.580 -27.422 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.013 -2.848 -27.952 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -13.737 -3.909 -26.720 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -15.177 -1.677 -25.205 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.227 -2.948 -24.399 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.859 -1.234 -24.094 1.00 0.00 H new TER 531 VAL A 100