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= -6! C(o=-19!,f=-11!) USER MOD Set 1.2: A 81 GLN : amide:sc= -12.5! C(o=-19!,f=-11!) USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.0942 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -2.94! K(o=-2.9!,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= -5.49! C(o=-5.5!,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -6.01! C(o=-6!,f=-1.3!) USER MOD Single : A 90 SER OG : rot 170:sc= -0.471 USER MOD Single : A 97 LYS NZ :NH3+ 136:sc= -3.28! (180deg=-6.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 7.825 -7.859 -4.668 1.00 0.00 N ATOM 2 CA THR A 68 6.421 -7.883 -4.157 1.00 0.00 C ATOM 3 C THR A 68 5.461 -8.116 -5.325 1.00 0.00 C ATOM 4 O THR A 68 5.833 -8.012 -6.477 1.00 0.00 O ATOM 5 CB THR A 68 6.104 -6.539 -3.495 1.00 0.00 C ATOM 6 OG1 THR A 68 7.003 -6.322 -2.417 1.00 0.00 O ATOM 7 CG2 THR A 68 4.666 -6.547 -2.967 1.00 0.00 C ATOM 0 HA THR A 68 6.307 -8.686 -3.428 1.00 0.00 H new ATOM 0 HB THR A 68 6.212 -5.741 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.844 -6.794 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.446 -5.589 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.976 -6.713 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.552 -7.345 -2.234 1.00 0.00 H new ATOM 15 N VAL A 69 4.227 -8.429 -5.038 1.00 0.00 N ATOM 16 CA VAL A 69 3.245 -8.668 -6.130 1.00 0.00 C ATOM 17 C VAL A 69 3.079 -7.383 -6.949 1.00 0.00 C ATOM 18 O VAL A 69 4.024 -6.649 -7.161 1.00 0.00 O ATOM 19 CB VAL A 69 1.902 -9.084 -5.522 1.00 0.00 C ATOM 20 CG1 VAL A 69 2.075 -10.399 -4.760 1.00 0.00 C ATOM 21 CG2 VAL A 69 1.414 -8.000 -4.556 1.00 0.00 C ATOM 0 H VAL A 69 3.857 -8.529 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 69 3.601 -9.465 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 69 1.171 -9.214 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.120 -10.697 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.420 -11.174 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.808 -10.265 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.458 -8.300 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.145 -7.867 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.290 -7.061 -5.095 1.00 0.00 H new ATOM 31 N LEU A 70 1.891 -7.100 -7.411 1.00 0.00 N ATOM 32 CA LEU A 70 1.681 -5.862 -8.210 1.00 0.00 C ATOM 33 C LEU A 70 2.149 -4.647 -7.404 1.00 0.00 C ATOM 34 O LEU A 70 2.143 -3.533 -7.888 1.00 0.00 O ATOM 35 CB LEU A 70 0.193 -5.712 -8.545 1.00 0.00 C ATOM 36 CG LEU A 70 -0.368 -7.052 -9.030 1.00 0.00 C ATOM 37 CD1 LEU A 70 -1.800 -6.850 -9.531 1.00 0.00 C ATOM 38 CD2 LEU A 70 0.500 -7.595 -10.171 1.00 0.00 C ATOM 0 H LEU A 70 1.059 -7.673 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 70 2.255 -5.927 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.355 -5.375 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.059 -4.952 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.365 -7.765 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.202 -7.802 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.419 -6.468 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.800 -6.136 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.097 -8.548 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.501 -6.884 -10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.520 -7.739 -9.815 1.00 0.00 H new ATOM 50 N SER A 71 2.551 -4.852 -6.178 1.00 0.00 N ATOM 51 CA SER A 71 3.018 -3.708 -5.343 1.00 0.00 C ATOM 52 C SER A 71 1.876 -2.723 -5.139 1.00 0.00 C ATOM 53 O SER A 71 1.432 -2.057 -6.054 1.00 0.00 O ATOM 54 CB SER A 71 4.198 -3.011 -6.028 1.00 0.00 C ATOM 55 OG SER A 71 5.036 -3.991 -6.628 1.00 0.00 O ATOM 0 H SER A 71 2.576 -5.762 -5.719 1.00 0.00 H new ATOM 0 HA SER A 71 3.344 -4.081 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.835 -2.314 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.763 -2.428 -5.301 1.00 0.00 H new ATOM 0 HG SER A 71 5.792 -3.550 -7.069 1.00 0.00 H new ATOM 61 N VAL A 72 1.406 -2.633 -3.934 1.00 0.00 N ATOM 62 CA VAL A 72 0.296 -1.702 -3.622 1.00 0.00 C ATOM 63 C VAL A 72 0.601 -0.323 -4.211 1.00 0.00 C ATOM 64 O VAL A 72 -0.267 0.342 -4.743 1.00 0.00 O ATOM 65 CB VAL A 72 0.165 -1.601 -2.106 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.077 -2.994 -1.519 1.00 0.00 C ATOM 67 CG2 VAL A 72 1.458 -1.023 -1.523 1.00 0.00 C ATOM 0 H VAL A 72 1.749 -3.173 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.636 -2.068 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.673 -0.951 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.170 -2.921 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.995 -3.410 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.762 -3.644 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.367 -0.950 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.294 -1.676 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.634 -0.032 -1.940 1.00 0.00 H new ATOM 77 N GLY A 73 1.834 0.109 -4.122 1.00 0.00 N ATOM 78 CA GLY A 73 2.206 1.445 -4.677 1.00 0.00 C ATOM 79 C GLY A 73 1.593 1.614 -6.065 1.00 0.00 C ATOM 80 O GLY A 73 1.462 2.712 -6.567 1.00 0.00 O ATOM 0 H GLY A 73 2.599 -0.407 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.854 2.236 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.291 1.537 -4.734 1.00 0.00 H new ATOM 84 N GLY A 74 1.209 0.535 -6.687 1.00 0.00 N ATOM 85 CA GLY A 74 0.597 0.638 -8.040 1.00 0.00 C ATOM 86 C GLY A 74 -0.726 1.395 -7.933 1.00 0.00 C ATOM 87 O GLY A 74 -1.002 2.292 -8.704 1.00 0.00 O ATOM 0 H GLY A 74 1.292 -0.412 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.273 1.156 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.429 -0.356 -8.454 1.00 0.00 H new ATOM 91 N GLN A 75 -1.547 1.045 -6.979 1.00 0.00 N ATOM 92 CA GLN A 75 -2.847 1.747 -6.824 1.00 0.00 C ATOM 93 C GLN A 75 -2.627 3.065 -6.080 1.00 0.00 C ATOM 94 O GLN A 75 -3.190 4.080 -6.431 1.00 0.00 O ATOM 95 CB GLN A 75 -3.820 0.864 -6.034 1.00 0.00 C ATOM 96 CG GLN A 75 -4.374 -0.241 -6.940 1.00 0.00 C ATOM 97 CD GLN A 75 -3.255 -1.222 -7.292 1.00 0.00 C ATOM 98 OE1 GLN A 75 -3.049 -2.199 -6.599 1.00 0.00 O ATOM 99 NE2 GLN A 75 -2.518 -1.002 -8.346 1.00 0.00 N ATOM 0 H GLN A 75 -1.371 0.303 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.268 1.952 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.311 0.423 -5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.638 1.469 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.186 -0.765 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.790 0.194 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.691 -0.182 -8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.769 -1.650 -8.589 1.00 0.00 H new ATOM 108 N VAL A 76 -1.810 3.064 -5.059 1.00 0.00 N ATOM 109 CA VAL A 76 -1.569 4.331 -4.313 1.00 0.00 C ATOM 110 C VAL A 76 -1.006 5.371 -5.281 1.00 0.00 C ATOM 111 O VAL A 76 -1.524 6.465 -5.404 1.00 0.00 O ATOM 112 CB VAL A 76 -0.571 4.086 -3.177 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.634 5.244 -2.179 1.00 0.00 C ATOM 114 CG2 VAL A 76 -0.925 2.781 -2.461 1.00 0.00 C ATOM 0 H VAL A 76 -1.304 2.248 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.505 4.691 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 76 0.436 4.016 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.077 5.068 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.383 6.176 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.641 5.315 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.215 2.606 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.932 2.853 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.880 1.954 -3.169 1.00 0.00 H new ATOM 124 N ASN A 77 0.042 5.037 -5.982 1.00 0.00 N ATOM 125 CA ASN A 77 0.615 6.007 -6.950 1.00 0.00 C ATOM 126 C ASN A 77 -0.475 6.388 -7.949 1.00 0.00 C ATOM 127 O ASN A 77 -0.798 7.545 -8.128 1.00 0.00 O ATOM 128 CB ASN A 77 1.792 5.371 -7.692 1.00 0.00 C ATOM 129 CG ASN A 77 2.285 6.329 -8.779 1.00 0.00 C ATOM 130 OD1 ASN A 77 1.813 6.292 -9.899 1.00 0.00 O ATOM 131 ND2 ASN A 77 3.220 7.195 -8.494 1.00 0.00 N ATOM 0 H ASN A 77 0.522 4.139 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 77 0.972 6.892 -6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.599 5.149 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.487 4.424 -8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.554 7.840 -9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.617 7.227 -7.555 1.00 0.00 H new ATOM 138 N LEU A 78 -1.057 5.413 -8.589 1.00 0.00 N ATOM 139 CA LEU A 78 -2.139 5.703 -9.569 1.00 0.00 C ATOM 140 C LEU A 78 -3.171 6.626 -8.917 1.00 0.00 C ATOM 141 O LEU A 78 -3.800 7.435 -9.572 1.00 0.00 O ATOM 142 CB LEU A 78 -2.810 4.384 -9.974 1.00 0.00 C ATOM 143 CG LEU A 78 -3.804 4.613 -11.129 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.065 4.612 -12.473 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.849 3.488 -11.133 1.00 0.00 C ATOM 0 H LEU A 78 -0.829 4.425 -8.475 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.725 6.189 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.052 3.662 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.332 3.957 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.292 5.577 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.779 4.775 -13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.321 5.409 -12.480 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.569 3.652 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.553 3.648 -11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.350 2.528 -11.267 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.387 3.488 -10.185 1.00 0.00 H new ATOM 157 N LEU A 79 -3.355 6.503 -7.632 1.00 0.00 N ATOM 158 CA LEU A 79 -4.347 7.357 -6.930 1.00 0.00 C ATOM 159 C LEU A 79 -3.922 8.828 -6.991 1.00 0.00 C ATOM 160 O LEU A 79 -4.640 9.669 -7.487 1.00 0.00 O ATOM 161 CB LEU A 79 -4.444 6.910 -5.461 1.00 0.00 C ATOM 162 CG LEU A 79 -5.796 7.340 -4.857 1.00 0.00 C ATOM 163 CD1 LEU A 79 -6.875 6.300 -5.182 1.00 0.00 C ATOM 164 CD2 LEU A 79 -5.662 7.456 -3.333 1.00 0.00 C ATOM 0 H LEU A 79 -2.856 5.842 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.317 7.253 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.337 5.827 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.627 7.346 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.080 8.302 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.825 6.614 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.980 6.210 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.588 5.335 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.618 7.760 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.370 6.491 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.903 8.200 -3.090 1.00 0.00 H new ATOM 176 N ILE A 80 -2.770 9.149 -6.465 1.00 0.00 N ATOM 177 CA ILE A 80 -2.323 10.570 -6.464 1.00 0.00 C ATOM 178 C ILE A 80 -1.906 11.007 -7.878 1.00 0.00 C ATOM 179 O ILE A 80 -1.891 12.177 -8.187 1.00 0.00 O ATOM 180 CB ILE A 80 -1.161 10.720 -5.456 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.364 12.034 -5.707 1.00 0.00 C ATOM 182 CG2 ILE A 80 -0.247 9.488 -5.532 1.00 0.00 C ATOM 183 CD1 ILE A 80 0.813 11.822 -6.676 1.00 0.00 C ATOM 0 H ILE A 80 -2.121 8.489 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.143 11.220 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.575 10.785 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.034 12.792 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.013 12.416 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.571 9.597 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.821 8.594 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.159 9.398 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.339 12.765 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.499 11.084 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.435 11.466 -7.635 1.00 0.00 H new ATOM 195 N GLN A 81 -1.571 10.088 -8.744 1.00 0.00 N ATOM 196 CA GLN A 81 -1.168 10.483 -10.122 1.00 0.00 C ATOM 197 C GLN A 81 -2.402 10.981 -10.890 1.00 0.00 C ATOM 198 O GLN A 81 -2.361 12.000 -11.552 1.00 0.00 O ATOM 199 CB GLN A 81 -0.562 9.253 -10.836 1.00 0.00 C ATOM 200 CG GLN A 81 0.971 9.297 -10.798 1.00 0.00 C ATOM 201 CD GLN A 81 1.463 9.625 -9.388 1.00 0.00 C ATOM 202 OE1 GLN A 81 2.059 10.662 -9.166 1.00 0.00 O ATOM 203 NE2 GLN A 81 1.245 8.779 -8.423 1.00 0.00 N ATOM 0 H GLN A 81 -1.559 9.085 -8.557 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.428 11.282 -10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.915 8.339 -10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.903 9.224 -11.871 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.376 8.337 -11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.337 10.046 -11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.745 7.910 -8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.574 8.985 -7.480 1.00 0.00 H new ATOM 212 N GLN A 82 -3.495 10.263 -10.821 1.00 0.00 N ATOM 213 CA GLN A 82 -4.723 10.689 -11.567 1.00 0.00 C ATOM 214 C GLN A 82 -5.610 11.560 -10.666 1.00 0.00 C ATOM 215 O GLN A 82 -6.318 12.430 -11.133 1.00 0.00 O ATOM 216 CB GLN A 82 -5.484 9.434 -12.046 1.00 0.00 C ATOM 217 CG GLN A 82 -6.423 8.898 -10.948 1.00 0.00 C ATOM 218 CD GLN A 82 -7.758 9.649 -10.995 1.00 0.00 C ATOM 219 OE1 GLN A 82 -8.372 9.753 -12.038 1.00 0.00 O ATOM 220 NE2 GLN A 82 -8.234 10.181 -9.904 1.00 0.00 N ATOM 0 H GLN A 82 -3.592 9.402 -10.282 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.441 11.284 -12.436 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.063 9.675 -12.937 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.771 8.659 -12.329 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.591 7.830 -11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.960 9.021 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.719 10.094 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.121 10.684 -9.927 1.00 0.00 H new ATOM 229 N ALA A 83 -5.581 11.333 -9.382 1.00 0.00 N ATOM 230 CA ALA A 83 -6.419 12.145 -8.459 1.00 0.00 C ATOM 231 C ALA A 83 -5.670 13.417 -8.063 1.00 0.00 C ATOM 232 O ALA A 83 -6.264 14.456 -7.860 1.00 0.00 O ATOM 233 CB ALA A 83 -6.727 11.334 -7.201 1.00 0.00 C ATOM 0 H ALA A 83 -5.011 10.617 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.348 12.411 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.341 11.930 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.265 10.427 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.795 11.066 -6.703 1.00 0.00 H new ATOM 239 N ILE A 84 -4.369 13.342 -7.964 1.00 0.00 N ATOM 240 CA ILE A 84 -3.562 14.529 -7.583 1.00 0.00 C ATOM 241 C ILE A 84 -4.265 15.306 -6.458 1.00 0.00 C ATOM 242 O ILE A 84 -4.019 16.475 -6.243 1.00 0.00 O ATOM 243 CB ILE A 84 -3.335 15.423 -8.816 1.00 0.00 C ATOM 244 CG1 ILE A 84 -3.111 14.547 -10.087 1.00 0.00 C ATOM 245 CG2 ILE A 84 -2.092 16.284 -8.572 1.00 0.00 C ATOM 246 CD1 ILE A 84 -4.383 14.496 -10.936 1.00 0.00 C ATOM 0 H ILE A 84 -3.827 12.495 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.590 14.203 -7.212 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.211 16.052 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.290 14.955 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.822 13.538 -9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.917 16.924 -9.437 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.246 16.903 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.227 15.639 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.207 13.880 -11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.195 14.066 -10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.654 15.505 -11.246 1.00 0.00 H new ATOM 258 N ASP A 85 -5.130 14.648 -5.729 1.00 0.00 N ATOM 259 CA ASP A 85 -5.843 15.326 -4.605 1.00 0.00 C ATOM 260 C ASP A 85 -6.375 16.692 -5.067 1.00 0.00 C ATOM 261 O ASP A 85 -5.712 17.698 -4.913 1.00 0.00 O ATOM 262 CB ASP A 85 -4.862 15.531 -3.448 1.00 0.00 C ATOM 263 CG ASP A 85 -4.550 14.180 -2.801 1.00 0.00 C ATOM 264 OD1 ASP A 85 -3.391 13.942 -2.498 1.00 0.00 O ATOM 265 OD2 ASP A 85 -5.476 13.406 -2.615 1.00 0.00 O ATOM 0 H ASP A 85 -5.374 13.667 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.681 14.708 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.944 15.993 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.289 16.210 -2.710 1.00 0.00 H new ATOM 270 N PRO A 86 -7.565 16.736 -5.628 1.00 0.00 N ATOM 271 CA PRO A 86 -8.178 18.014 -6.112 1.00 0.00 C ATOM 272 C PRO A 86 -8.365 19.032 -4.976 1.00 0.00 C ATOM 273 O PRO A 86 -8.700 20.181 -5.204 1.00 0.00 O ATOM 274 CB PRO A 86 -9.543 17.577 -6.687 1.00 0.00 C ATOM 275 CG PRO A 86 -9.406 16.109 -6.941 1.00 0.00 C ATOM 276 CD PRO A 86 -8.456 15.589 -5.868 1.00 0.00 C ATOM 0 HA PRO A 86 -7.546 18.517 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.351 17.782 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.775 18.116 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.373 15.610 -6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.010 15.920 -7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.990 15.297 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.903 14.713 -6.209 1.00 0.00 H new ATOM 284 N LYS A 87 -8.154 18.616 -3.758 1.00 0.00 N ATOM 285 CA LYS A 87 -8.320 19.551 -2.610 1.00 0.00 C ATOM 286 C LYS A 87 -7.608 20.869 -2.917 1.00 0.00 C ATOM 287 O LYS A 87 -7.909 21.899 -2.348 1.00 0.00 O ATOM 288 CB LYS A 87 -7.712 18.924 -1.353 1.00 0.00 C ATOM 289 CG LYS A 87 -6.196 18.802 -1.524 1.00 0.00 C ATOM 290 CD LYS A 87 -5.631 17.872 -0.446 1.00 0.00 C ATOM 291 CE LYS A 87 -4.107 18.007 -0.400 1.00 0.00 C ATOM 292 NZ LYS A 87 -3.573 17.232 0.757 1.00 0.00 N ATOM 0 H LYS A 87 -7.873 17.668 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.381 19.742 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.942 19.536 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.149 17.941 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.962 18.412 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.731 19.785 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.058 18.122 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.909 16.840 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.671 17.640 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.827 19.056 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.538 17.324 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.980 17.601 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.829 16.229 0.651 1.00 0.00 H new ATOM 306 N ASN A 88 -6.660 20.841 -3.812 1.00 0.00 N ATOM 307 CA ASN A 88 -5.921 22.089 -4.153 1.00 0.00 C ATOM 308 C ASN A 88 -6.845 23.049 -4.915 1.00 0.00 C ATOM 309 O ASN A 88 -7.021 24.190 -4.533 1.00 0.00 O ATOM 310 CB ASN A 88 -4.687 21.739 -5.005 1.00 0.00 C ATOM 311 CG ASN A 88 -5.089 21.454 -6.459 1.00 0.00 C ATOM 312 OD1 ASN A 88 -4.641 22.130 -7.364 1.00 0.00 O ATOM 313 ND2 ASN A 88 -5.919 20.482 -6.724 1.00 0.00 N ATOM 0 H ASN A 88 -6.365 20.008 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.590 22.579 -3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.974 22.563 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.185 20.868 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.190 20.291 -7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.297 19.913 -5.966 1.00 0.00 H new ATOM 320 N LEU A 89 -7.436 22.595 -5.985 1.00 0.00 N ATOM 321 CA LEU A 89 -8.342 23.479 -6.764 1.00 0.00 C ATOM 322 C LEU A 89 -9.484 23.939 -5.858 1.00 0.00 C ATOM 323 O LEU A 89 -9.979 25.042 -5.979 1.00 0.00 O ATOM 324 CB LEU A 89 -8.892 22.699 -7.972 1.00 0.00 C ATOM 325 CG LEU A 89 -10.099 23.445 -8.614 1.00 0.00 C ATOM 326 CD1 LEU A 89 -10.028 23.343 -10.143 1.00 0.00 C ATOM 327 CD2 LEU A 89 -11.422 22.822 -8.148 1.00 0.00 C ATOM 0 H LEU A 89 -7.330 21.649 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.802 24.353 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.104 22.568 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.202 21.703 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.054 24.490 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.876 23.868 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.100 23.794 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.057 22.294 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.256 23.354 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.455 21.774 -8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.496 22.895 -7.063 1.00 0.00 H new ATOM 339 N SER A 90 -9.904 23.103 -4.947 1.00 0.00 N ATOM 340 CA SER A 90 -11.008 23.496 -4.032 1.00 0.00 C ATOM 341 C SER A 90 -10.455 24.392 -2.920 1.00 0.00 C ATOM 342 O SER A 90 -11.127 25.282 -2.437 1.00 0.00 O ATOM 343 CB SER A 90 -11.631 22.245 -3.414 1.00 0.00 C ATOM 344 OG SER A 90 -10.714 21.670 -2.493 1.00 0.00 O ATOM 0 H SER A 90 -9.529 22.166 -4.799 1.00 0.00 H new ATOM 0 HA SER A 90 -11.767 24.039 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.561 22.501 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.880 21.526 -4.194 1.00 0.00 H new ATOM 0 HG SER A 90 -11.164 20.968 -1.979 1.00 0.00 H new ATOM 350 N ARG A 91 -9.237 24.161 -2.506 1.00 0.00 N ATOM 351 CA ARG A 91 -8.648 24.998 -1.426 1.00 0.00 C ATOM 352 C ARG A 91 -8.702 26.471 -1.833 1.00 0.00 C ATOM 353 O ARG A 91 -9.025 27.331 -1.038 1.00 0.00 O ATOM 354 CB ARG A 91 -7.196 24.583 -1.199 1.00 0.00 C ATOM 355 CG ARG A 91 -6.557 25.498 -0.150 1.00 0.00 C ATOM 356 CD ARG A 91 -5.202 24.926 0.281 1.00 0.00 C ATOM 357 NE ARG A 91 -5.410 23.904 1.346 1.00 0.00 N ATOM 358 CZ ARG A 91 -4.418 23.146 1.725 1.00 0.00 C ATOM 359 NH1 ARG A 91 -4.598 22.258 2.665 1.00 0.00 N ATOM 360 NH2 ARG A 91 -3.247 23.278 1.166 1.00 0.00 N ATOM 0 H ARG A 91 -8.627 23.429 -2.870 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.215 24.857 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.152 23.546 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.640 24.642 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.426 26.500 -0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.215 25.591 0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.696 24.478 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.559 25.725 0.649 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.328 23.797 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.514 22.157 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.823 21.665 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.107 23.973 0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.471 22.686 1.462 1.00 0.00 H new ATOM 374 N LEU A 92 -8.393 26.773 -3.066 1.00 0.00 N ATOM 375 CA LEU A 92 -8.434 28.195 -3.512 1.00 0.00 C ATOM 376 C LEU A 92 -9.757 28.825 -3.069 1.00 0.00 C ATOM 377 O LEU A 92 -9.881 30.030 -2.976 1.00 0.00 O ATOM 378 CB LEU A 92 -8.322 28.262 -5.039 1.00 0.00 C ATOM 379 CG LEU A 92 -7.089 27.479 -5.505 1.00 0.00 C ATOM 380 CD1 LEU A 92 -7.030 27.499 -7.034 1.00 0.00 C ATOM 381 CD2 LEU A 92 -5.816 28.121 -4.930 1.00 0.00 C ATOM 0 H LEU A 92 -8.115 26.100 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.601 28.739 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.221 27.849 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.248 29.300 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.157 26.449 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.155 26.944 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.931 27.038 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.962 28.530 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.943 27.561 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.740 29.152 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.861 28.107 -3.841 1.00 0.00 H new ATOM 393 N PHE A 93 -10.740 28.007 -2.782 1.00 0.00 N ATOM 394 CA PHE A 93 -12.071 28.522 -2.325 1.00 0.00 C ATOM 395 C PHE A 93 -12.312 28.015 -0.886 1.00 0.00 C ATOM 396 O PHE A 93 -12.311 26.822 -0.660 1.00 0.00 O ATOM 397 CB PHE A 93 -13.168 27.964 -3.268 1.00 0.00 C ATOM 398 CG PHE A 93 -13.606 29.027 -4.259 1.00 0.00 C ATOM 399 CD1 PHE A 93 -14.892 29.579 -4.174 1.00 0.00 C ATOM 400 CD2 PHE A 93 -12.725 29.457 -5.258 1.00 0.00 C ATOM 401 CE1 PHE A 93 -15.293 30.561 -5.087 1.00 0.00 C ATOM 402 CE2 PHE A 93 -13.128 30.440 -6.171 1.00 0.00 C ATOM 403 CZ PHE A 93 -14.412 30.992 -6.085 1.00 0.00 C ATOM 0 H PHE A 93 -10.677 26.991 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 93 -12.097 29.612 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.788 27.094 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -14.024 27.629 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -15.573 29.247 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.735 29.031 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.283 30.987 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -12.448 30.772 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.722 31.750 -6.789 1.00 0.00 H new ATOM 413 N PRO A 94 -12.520 28.889 0.084 1.00 0.00 N ATOM 414 CA PRO A 94 -12.762 28.466 1.497 1.00 0.00 C ATOM 415 C PRO A 94 -13.675 27.235 1.593 1.00 0.00 C ATOM 416 O PRO A 94 -13.744 26.576 2.609 1.00 0.00 O ATOM 417 CB PRO A 94 -13.440 29.691 2.115 1.00 0.00 C ATOM 418 CG PRO A 94 -12.844 30.855 1.388 1.00 0.00 C ATOM 419 CD PRO A 94 -12.551 30.364 -0.039 1.00 0.00 C ATOM 0 HA PRO A 94 -11.842 28.170 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -14.522 29.654 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.249 29.752 3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.532 31.700 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.931 31.194 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.321 30.689 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.602 30.753 -0.407 1.00 0.00 H new ATOM 427 N GLY A 95 -14.378 26.931 0.542 1.00 0.00 N ATOM 428 CA GLY A 95 -15.296 25.759 0.563 1.00 0.00 C ATOM 429 C GLY A 95 -14.592 24.522 1.133 1.00 0.00 C ATOM 430 O GLY A 95 -15.219 23.514 1.384 1.00 0.00 O ATOM 0 H GLY A 95 -14.357 27.447 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -16.175 25.991 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.647 25.549 -0.447 1.00 0.00 H new ATOM 434 N TRP A 96 -13.302 24.576 1.337 1.00 0.00 N ATOM 435 CA TRP A 96 -12.597 23.378 1.885 1.00 0.00 C ATOM 436 C TRP A 96 -12.936 23.205 3.370 1.00 0.00 C ATOM 437 O TRP A 96 -12.642 22.189 3.969 1.00 0.00 O ATOM 438 CB TRP A 96 -11.084 23.539 1.724 1.00 0.00 C ATOM 439 CG TRP A 96 -10.610 24.700 2.533 1.00 0.00 C ATOM 440 CD1 TRP A 96 -10.597 25.982 2.108 1.00 0.00 C ATOM 441 CD2 TRP A 96 -10.076 24.712 3.889 1.00 0.00 C ATOM 442 NE1 TRP A 96 -10.091 26.782 3.118 1.00 0.00 N ATOM 443 CE2 TRP A 96 -9.757 26.045 4.234 1.00 0.00 C ATOM 444 CE3 TRP A 96 -9.842 23.706 4.845 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -9.224 26.373 5.480 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -9.306 24.031 6.102 1.00 0.00 C ATOM 447 CH2 TRP A 96 -8.996 25.362 6.418 1.00 0.00 C ATOM 0 H TRP A 96 -12.711 25.387 1.151 1.00 0.00 H new ATOM 0 HA TRP A 96 -12.925 22.497 1.334 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -10.576 22.629 2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -10.835 23.690 0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -10.927 26.326 1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.979 27.793 3.045 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.076 22.678 4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.989 27.400 5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -9.132 23.252 6.829 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -8.582 25.605 7.385 1.00 0.00 H new ATOM 458 N LYS A 97 -13.546 24.192 3.971 1.00 0.00 N ATOM 459 CA LYS A 97 -13.901 24.097 5.413 1.00 0.00 C ATOM 460 C LYS A 97 -14.875 22.936 5.646 1.00 0.00 C ATOM 461 O LYS A 97 -15.171 22.585 6.771 1.00 0.00 O ATOM 462 CB LYS A 97 -14.558 25.424 5.824 1.00 0.00 C ATOM 463 CG LYS A 97 -13.473 26.486 6.175 1.00 0.00 C ATOM 464 CD LYS A 97 -13.789 27.866 5.571 1.00 0.00 C ATOM 465 CE LYS A 97 -15.277 28.214 5.722 1.00 0.00 C ATOM 466 NZ LYS A 97 -15.843 27.543 6.927 1.00 0.00 N ATOM 0 H LYS A 97 -13.815 25.066 3.519 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.007 23.912 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.186 25.792 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.209 25.263 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.393 26.576 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.504 26.146 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.184 28.628 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.517 27.874 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.399 29.294 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.823 27.901 4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.439 28.215 7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.417 26.727 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.068 27.218 7.540 1.00 0.00 H new ATOM 480 N ALA A 98 -15.382 22.342 4.595 1.00 0.00 N ATOM 481 CA ALA A 98 -16.343 21.214 4.742 1.00 0.00 C ATOM 482 C ALA A 98 -15.645 19.911 4.378 1.00 0.00 C ATOM 483 O ALA A 98 -16.090 18.833 4.720 1.00 0.00 O ATOM 484 CB ALA A 98 -17.511 21.434 3.782 1.00 0.00 C ATOM 0 H ALA A 98 -15.166 22.596 3.631 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.704 21.166 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -18.222 20.614 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.007 22.375 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.139 21.471 2.758 1.00 0.00 H new ATOM 490 N TRP A 99 -14.569 20.009 3.659 1.00 0.00 N ATOM 491 CA TRP A 99 -13.842 18.795 3.231 1.00 0.00 C ATOM 492 C TRP A 99 -13.042 18.220 4.401 1.00 0.00 C ATOM 493 O TRP A 99 -12.274 17.292 4.241 1.00 0.00 O ATOM 494 CB TRP A 99 -12.893 19.149 2.083 1.00 0.00 C ATOM 495 CG TRP A 99 -13.687 19.584 0.889 1.00 0.00 C ATOM 496 CD1 TRP A 99 -14.580 20.601 0.873 1.00 0.00 C ATOM 497 CD2 TRP A 99 -13.675 19.035 -0.461 1.00 0.00 C ATOM 498 NE1 TRP A 99 -15.106 20.718 -0.393 1.00 0.00 N ATOM 499 CE2 TRP A 99 -14.585 19.772 -1.253 1.00 0.00 C ATOM 500 CE3 TRP A 99 -12.970 17.981 -1.067 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -14.789 19.477 -2.599 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -13.173 17.678 -2.425 1.00 0.00 C ATOM 503 CH2 TRP A 99 -14.082 18.425 -3.189 1.00 0.00 C ATOM 0 H TRP A 99 -14.159 20.889 3.347 1.00 0.00 H new ATOM 0 HA TRP A 99 -14.561 18.048 2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -12.215 19.945 2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -12.277 18.287 1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -14.838 21.221 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -15.797 21.418 -0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -12.268 17.400 -0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -15.488 20.057 -3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -12.627 16.866 -2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -14.235 18.188 -4.231 1.00 0.00 H new ATOM 514 N VAL A 100 -13.214 18.758 5.578 1.00 0.00 N ATOM 515 CA VAL A 100 -12.462 18.238 6.751 1.00 0.00 C ATOM 516 C VAL A 100 -12.564 16.711 6.791 1.00 0.00 C ATOM 517 O VAL A 100 -13.648 16.204 6.553 1.00 0.00 O ATOM 518 CB VAL A 100 -13.061 18.822 8.027 1.00 0.00 C ATOM 519 CG1 VAL A 100 -13.037 20.350 7.956 1.00 0.00 C ATOM 520 CG2 VAL A 100 -14.505 18.338 8.178 1.00 0.00 C ATOM 521 OXT VAL A 100 -11.557 16.075 7.056 1.00 0.00 O ATOM 0 H VAL A 100 -13.844 19.536 5.776 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.414 18.526 6.671 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.475 18.494 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -13.466 20.763 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.008 20.693 7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -13.620 20.684 7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.935 18.754 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -15.090 18.665 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.520 17.250 8.234 1.00 0.00 H new TER 531 VAL A 100