USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 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= 0.00393 F(o=-5.1,f=-3.4) USER MOD Set 1.2: A 81 GLN :FLIP amide:sc= -3.43 F(o=-7.6!,f=-3.4) USER MOD Single : A 68 THR OG1 : rot 33:sc= 0.366 USER MOD Single : A 71 SER OG : rot 180:sc= -0.808 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.585 F(o=-5.9!,f=-0.59) USER MOD Single : A 82 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -5.58! C(o=-6.9!,f=-5.6!) USER MOD Single : A 90 SER OG : rot -53:sc= 0.503 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 -0.930 -10.425 -4.378 1.00 0.00 N ATOM 2 CA THR A 68 -0.822 -8.944 -4.503 1.00 0.00 C ATOM 3 C THR A 68 -0.542 -8.569 -5.959 1.00 0.00 C ATOM 4 O THR A 68 -0.012 -9.353 -6.722 1.00 0.00 O ATOM 5 CB THR A 68 0.321 -8.441 -3.618 1.00 0.00 C ATOM 6 OG1 THR A 68 0.222 -9.042 -2.334 1.00 0.00 O ATOM 7 CG2 THR A 68 0.234 -6.921 -3.481 1.00 0.00 C ATOM 0 HA THR A 68 -1.759 -8.485 -4.186 1.00 0.00 H new ATOM 0 HB THR A 68 1.276 -8.706 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.152 -9.944 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.049 -6.565 -2.850 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.311 -6.462 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.720 -6.651 -3.028 1.00 0.00 H new ATOM 15 N VAL A 69 -0.895 -7.373 -6.352 1.00 0.00 N ATOM 16 CA VAL A 69 -0.654 -6.938 -7.754 1.00 0.00 C ATOM 17 C VAL A 69 0.758 -6.362 -7.868 1.00 0.00 C ATOM 18 O VAL A 69 0.937 -5.181 -8.080 1.00 0.00 O ATOM 19 CB VAL A 69 -1.680 -5.869 -8.138 1.00 0.00 C ATOM 20 CG1 VAL A 69 -3.039 -6.528 -8.382 1.00 0.00 C ATOM 21 CG2 VAL A 69 -1.806 -4.845 -7.004 1.00 0.00 C ATOM 0 H VAL A 69 -1.343 -6.677 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.753 -7.790 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.352 -5.365 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.769 -5.766 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.952 -7.254 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.366 -7.035 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.537 -4.085 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.132 -5.348 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.839 -4.373 -6.831 1.00 0.00 H new ATOM 31 N LEU A 70 1.757 -7.197 -7.728 1.00 0.00 N ATOM 32 CA LEU A 70 3.176 -6.728 -7.820 1.00 0.00 C ATOM 33 C LEU A 70 3.497 -5.768 -6.668 1.00 0.00 C ATOM 34 O LEU A 70 4.609 -5.728 -6.186 1.00 0.00 O ATOM 35 CB LEU A 70 3.427 -6.025 -9.163 1.00 0.00 C ATOM 36 CG LEU A 70 2.849 -6.859 -10.313 1.00 0.00 C ATOM 37 CD1 LEU A 70 3.003 -6.087 -11.625 1.00 0.00 C ATOM 38 CD2 LEU A 70 3.602 -8.190 -10.415 1.00 0.00 C ATOM 0 H LEU A 70 1.649 -8.196 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 70 3.827 -7.600 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.969 -5.036 -9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.497 -5.880 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 70 1.794 -7.055 -10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.593 -6.677 -12.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.467 -5.141 -11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.059 -5.892 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.189 -8.780 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.658 -7.997 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.496 -8.741 -9.480 1.00 0.00 H new ATOM 50 N SER A 71 2.537 -5.000 -6.219 1.00 0.00 N ATOM 51 CA SER A 71 2.791 -4.047 -5.099 1.00 0.00 C ATOM 52 C SER A 71 1.634 -3.058 -5.011 1.00 0.00 C ATOM 53 O SER A 71 1.407 -2.257 -5.897 1.00 0.00 O ATOM 54 CB SER A 71 4.112 -3.296 -5.337 1.00 0.00 C ATOM 55 OG SER A 71 4.341 -3.181 -6.735 1.00 0.00 O ATOM 0 H SER A 71 1.584 -4.993 -6.583 1.00 0.00 H new ATOM 0 HA SER A 71 2.869 -4.598 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.069 -2.307 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.937 -3.829 -4.864 1.00 0.00 H new ATOM 0 HG SER A 71 5.182 -2.702 -6.890 1.00 0.00 H new ATOM 61 N VAL A 72 0.913 -3.111 -3.935 1.00 0.00 N ATOM 62 CA VAL A 72 -0.229 -2.187 -3.747 1.00 0.00 C ATOM 63 C VAL A 72 0.255 -0.744 -3.905 1.00 0.00 C ATOM 64 O VAL A 72 -0.418 0.088 -4.484 1.00 0.00 O ATOM 65 CB VAL A 72 -0.782 -2.393 -2.341 1.00 0.00 C ATOM 66 CG1 VAL A 72 -1.189 -3.856 -2.168 1.00 0.00 C ATOM 67 CG2 VAL A 72 0.300 -2.041 -1.316 1.00 0.00 C ATOM 0 H VAL A 72 1.068 -3.764 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.004 -2.384 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.651 -1.752 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.585 -4.007 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.954 -4.110 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.319 -4.496 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.091 -2.187 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.166 -2.685 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.596 -1.000 -1.443 1.00 0.00 H new ATOM 77 N GLY A 73 1.423 -0.445 -3.392 1.00 0.00 N ATOM 78 CA GLY A 73 1.966 0.942 -3.503 1.00 0.00 C ATOM 79 C GLY A 73 1.746 1.473 -4.919 1.00 0.00 C ATOM 80 O GLY A 73 1.695 2.666 -5.145 1.00 0.00 O ATOM 0 H GLY A 73 2.025 -1.105 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.475 1.593 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.030 0.946 -3.265 1.00 0.00 H new ATOM 84 N GLY A 74 1.608 0.596 -5.876 1.00 0.00 N ATOM 85 CA GLY A 74 1.382 1.060 -7.271 1.00 0.00 C ATOM 86 C GLY A 74 -0.022 1.642 -7.379 1.00 0.00 C ATOM 87 O GLY A 74 -0.221 2.702 -7.940 1.00 0.00 O ATOM 0 H GLY A 74 1.642 -0.416 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.123 1.812 -7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.500 0.230 -7.968 1.00 0.00 H new ATOM 91 N GLN A 75 -1.001 0.978 -6.828 1.00 0.00 N ATOM 92 CA GLN A 75 -2.376 1.528 -6.891 1.00 0.00 C ATOM 93 C GLN A 75 -2.364 2.856 -6.145 1.00 0.00 C ATOM 94 O GLN A 75 -3.104 3.768 -6.454 1.00 0.00 O ATOM 95 CB GLN A 75 -3.364 0.556 -6.232 1.00 0.00 C ATOM 96 CG GLN A 75 -3.754 -0.535 -7.234 1.00 0.00 C ATOM 97 CD GLN A 75 -2.513 -1.346 -7.613 1.00 0.00 C ATOM 98 OE1 GLN A 75 -1.614 -1.604 -6.704 1.00 0.00 O flip ATOM 99 NE2 GLN A 75 -2.361 -1.748 -8.750 1.00 0.00 N flip ATOM 0 H GLN A 75 -0.906 0.086 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.690 1.671 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.913 0.107 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.252 1.093 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.510 -1.189 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.194 -0.086 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.064 -1.546 -9.461 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.530 -2.287 -8.993 1.00 0.00 H new ATOM 108 N VAL A 76 -1.498 2.974 -5.175 1.00 0.00 N ATOM 109 CA VAL A 76 -1.400 4.247 -4.416 1.00 0.00 C ATOM 110 C VAL A 76 -0.792 5.301 -5.338 1.00 0.00 C ATOM 111 O VAL A 76 -1.268 6.418 -5.421 1.00 0.00 O ATOM 112 CB VAL A 76 -0.505 4.051 -3.192 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.650 5.252 -2.257 1.00 0.00 C ATOM 114 CG2 VAL A 76 -0.924 2.778 -2.453 1.00 0.00 C ATOM 0 H VAL A 76 -0.854 2.241 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.387 4.564 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 76 0.533 3.962 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.012 5.113 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.353 6.160 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.688 5.341 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.286 2.637 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.962 2.868 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.822 1.921 -3.118 1.00 0.00 H new ATOM 124 N ASN A 77 0.248 4.952 -6.051 1.00 0.00 N ATOM 125 CA ASN A 77 0.861 5.931 -6.980 1.00 0.00 C ATOM 126 C ASN A 77 -0.194 6.333 -8.007 1.00 0.00 C ATOM 127 O ASN A 77 -0.542 7.486 -8.141 1.00 0.00 O ATOM 128 CB ASN A 77 2.056 5.291 -7.691 1.00 0.00 C ATOM 129 CG ASN A 77 2.715 6.321 -8.612 1.00 0.00 C ATOM 130 OD1 ASN A 77 2.953 7.522 -8.163 1.00 0.00 O flip ATOM 131 ND2 ASN A 77 3.014 6.028 -9.753 1.00 0.00 N flip ATOM 0 H ASN A 77 0.693 4.035 -6.026 1.00 0.00 H new ATOM 0 HA ASN A 77 1.209 6.806 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.777 4.929 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.728 4.427 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.828 5.089 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.451 6.722 -10.360 1.00 0.00 H new ATOM 138 N LEU A 78 -0.724 5.379 -8.717 1.00 0.00 N ATOM 139 CA LEU A 78 -1.776 5.688 -9.726 1.00 0.00 C ATOM 140 C LEU A 78 -2.829 6.596 -9.085 1.00 0.00 C ATOM 141 O LEU A 78 -3.474 7.383 -9.750 1.00 0.00 O ATOM 142 CB LEU A 78 -2.419 4.370 -10.181 1.00 0.00 C ATOM 143 CG LEU A 78 -3.655 4.631 -11.051 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.275 5.507 -12.251 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.201 3.289 -11.549 1.00 0.00 C ATOM 0 H LEU A 78 -0.473 4.393 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.344 6.197 -10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.693 3.782 -10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.702 3.780 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.414 5.148 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.158 5.688 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.879 6.458 -11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.518 4.998 -12.847 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.081 3.462 -12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.437 2.781 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.475 2.668 -10.696 1.00 0.00 H new ATOM 157 N LEU A 79 -3.013 6.484 -7.798 1.00 0.00 N ATOM 158 CA LEU A 79 -4.027 7.325 -7.113 1.00 0.00 C ATOM 159 C LEU A 79 -3.560 8.786 -7.066 1.00 0.00 C ATOM 160 O LEU A 79 -4.346 9.697 -7.237 1.00 0.00 O ATOM 161 CB LEU A 79 -4.231 6.799 -5.681 1.00 0.00 C ATOM 162 CG LEU A 79 -5.620 7.212 -5.153 1.00 0.00 C ATOM 163 CD1 LEU A 79 -6.683 6.209 -5.619 1.00 0.00 C ATOM 164 CD2 LEU A 79 -5.602 7.237 -3.621 1.00 0.00 C ATOM 0 H LEU A 79 -2.501 5.843 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.967 7.277 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.137 5.713 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.453 7.194 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.860 8.202 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.659 6.511 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.708 6.185 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.438 5.217 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.585 7.529 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.352 6.245 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.857 7.954 -3.278 1.00 0.00 H new ATOM 176 N ILE A 80 -2.298 9.024 -6.821 1.00 0.00 N ATOM 177 CA ILE A 80 -1.823 10.433 -6.754 1.00 0.00 C ATOM 178 C ILE A 80 -1.905 11.068 -8.152 1.00 0.00 C ATOM 179 O ILE A 80 -2.274 12.215 -8.294 1.00 0.00 O ATOM 180 CB ILE A 80 -0.379 10.474 -6.188 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.150 11.777 -5.404 1.00 0.00 C ATOM 182 CG2 ILE A 80 0.661 10.379 -7.310 1.00 0.00 C ATOM 183 CD1 ILE A 80 -0.523 12.991 -6.263 1.00 0.00 C ATOM 0 H ILE A 80 -1.585 8.311 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.459 11.011 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.262 9.617 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.748 11.771 -4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.894 11.847 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.663 10.410 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.527 9.443 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.534 11.216 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.355 13.905 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.094 13.005 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.574 12.928 -6.546 1.00 0.00 H new ATOM 195 N GLN A 81 -1.586 10.331 -9.187 1.00 0.00 N ATOM 196 CA GLN A 81 -1.671 10.913 -10.561 1.00 0.00 C ATOM 197 C GLN A 81 -3.150 11.145 -10.902 1.00 0.00 C ATOM 198 O GLN A 81 -3.497 12.058 -11.625 1.00 0.00 O ATOM 199 CB GLN A 81 -1.055 9.936 -11.585 1.00 0.00 C ATOM 200 CG GLN A 81 0.469 10.125 -11.676 1.00 0.00 C ATOM 201 CD GLN A 81 1.137 9.506 -10.450 1.00 0.00 C ATOM 202 OE1 GLN A 81 0.723 8.350 -10.010 1.00 0.00 O flip ATOM 203 NE2 GLN A 81 2.047 10.080 -9.885 1.00 0.00 N flip ATOM 0 H GLN A 81 -1.273 9.361 -9.141 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.123 11.854 -10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.282 8.910 -11.296 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.505 10.098 -12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.850 9.658 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.711 11.186 -11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.371 10.984 -10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.487 9.658 -9.067 1.00 0.00 H new ATOM 212 N GLN A 82 -4.016 10.315 -10.391 1.00 0.00 N ATOM 213 CA GLN A 82 -5.468 10.459 -10.675 1.00 0.00 C ATOM 214 C GLN A 82 -5.958 11.826 -10.181 1.00 0.00 C ATOM 215 O GLN A 82 -6.561 12.587 -10.912 1.00 0.00 O ATOM 216 CB GLN A 82 -6.215 9.324 -9.933 1.00 0.00 C ATOM 217 CG GLN A 82 -7.218 8.641 -10.865 1.00 0.00 C ATOM 218 CD GLN A 82 -8.219 7.831 -10.037 1.00 0.00 C ATOM 219 OE1 GLN A 82 -8.552 6.715 -10.384 1.00 0.00 O ATOM 220 NE2 GLN A 82 -8.715 8.351 -8.947 1.00 0.00 N ATOM 0 H GLN A 82 -3.775 9.534 -9.781 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.657 10.393 -11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.498 8.592 -9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.735 9.730 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.743 9.388 -11.461 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.695 7.987 -11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.435 9.288 -8.656 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.382 7.821 -8.387 1.00 0.00 H new ATOM 229 N ALA A 83 -5.715 12.127 -8.939 1.00 0.00 N ATOM 230 CA ALA A 83 -6.177 13.426 -8.375 1.00 0.00 C ATOM 231 C ALA A 83 -5.824 14.576 -9.325 1.00 0.00 C ATOM 232 O ALA A 83 -6.662 15.387 -9.666 1.00 0.00 O ATOM 233 CB ALA A 83 -5.507 13.655 -7.020 1.00 0.00 C ATOM 0 H ALA A 83 -5.213 11.527 -8.285 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.259 13.395 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.843 14.605 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.775 12.846 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.425 13.677 -7.148 1.00 0.00 H new ATOM 239 N ILE A 84 -4.590 14.664 -9.743 1.00 0.00 N ATOM 240 CA ILE A 84 -4.187 15.768 -10.654 1.00 0.00 C ATOM 241 C ILE A 84 -5.197 15.916 -11.791 1.00 0.00 C ATOM 242 O ILE A 84 -5.590 17.010 -12.147 1.00 0.00 O ATOM 243 CB ILE A 84 -2.803 15.461 -11.241 1.00 0.00 C ATOM 244 CG1 ILE A 84 -1.878 14.904 -10.152 1.00 0.00 C ATOM 245 CG2 ILE A 84 -2.198 16.741 -11.804 1.00 0.00 C ATOM 246 CD1 ILE A 84 -1.933 15.799 -8.909 1.00 0.00 C ATOM 0 H ILE A 84 -3.844 14.016 -9.491 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.154 16.699 -10.088 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.911 14.720 -12.033 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.178 13.889 -9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.855 14.849 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.215 16.526 -12.222 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.846 17.136 -12.586 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.100 17.478 -11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.273 15.396 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.611 16.807 -9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.954 15.832 -8.529 1.00 0.00 H new ATOM 258 N ASP A 85 -5.610 14.828 -12.375 1.00 0.00 N ATOM 259 CA ASP A 85 -6.583 14.904 -13.504 1.00 0.00 C ATOM 260 C ASP A 85 -7.426 13.616 -13.542 1.00 0.00 C ATOM 261 O ASP A 85 -6.955 12.594 -13.997 1.00 0.00 O ATOM 262 CB ASP A 85 -5.801 15.034 -14.813 1.00 0.00 C ATOM 263 CG ASP A 85 -4.780 16.167 -14.684 1.00 0.00 C ATOM 264 OD1 ASP A 85 -3.597 15.887 -14.790 1.00 0.00 O ATOM 265 OD2 ASP A 85 -5.198 17.294 -14.480 1.00 0.00 O ATOM 0 H ASP A 85 -5.316 13.885 -12.120 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.242 15.762 -13.372 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.294 14.097 -15.041 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.483 15.236 -15.639 1.00 0.00 H new ATOM 270 N PRO A 86 -8.656 13.643 -13.067 1.00 0.00 N ATOM 271 CA PRO A 86 -9.526 12.433 -13.060 1.00 0.00 C ATOM 272 C PRO A 86 -10.198 12.190 -14.419 1.00 0.00 C ATOM 273 O PRO A 86 -10.909 11.221 -14.606 1.00 0.00 O ATOM 274 CB PRO A 86 -10.563 12.754 -11.981 1.00 0.00 C ATOM 275 CG PRO A 86 -10.716 14.242 -12.031 1.00 0.00 C ATOM 276 CD PRO A 86 -9.359 14.808 -12.487 1.00 0.00 C ATOM 0 HA PRO A 86 -8.964 11.520 -12.865 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.510 12.252 -12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.227 12.423 -10.998 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.507 14.527 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.991 14.636 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.486 15.603 -13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.803 15.233 -11.651 1.00 0.00 H new ATOM 284 N LYS A 87 -9.976 13.058 -15.370 1.00 0.00 N ATOM 285 CA LYS A 87 -10.600 12.862 -16.707 1.00 0.00 C ATOM 286 C LYS A 87 -10.233 11.468 -17.226 1.00 0.00 C ATOM 287 O LYS A 87 -10.961 10.868 -17.991 1.00 0.00 O ATOM 288 CB LYS A 87 -10.088 13.939 -17.679 1.00 0.00 C ATOM 289 CG LYS A 87 -8.628 14.277 -17.347 1.00 0.00 C ATOM 290 CD LYS A 87 -7.953 14.977 -18.543 1.00 0.00 C ATOM 291 CE LYS A 87 -8.469 16.426 -18.701 1.00 0.00 C ATOM 292 NZ LYS A 87 -8.969 16.616 -20.093 1.00 0.00 N ATOM 0 H LYS A 87 -9.392 13.889 -15.278 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.684 12.947 -16.628 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.165 13.583 -18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.705 14.834 -17.605 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.588 14.923 -16.470 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.085 13.366 -17.097 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.872 14.986 -18.401 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.150 14.415 -19.456 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.267 16.621 -17.985 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.669 17.135 -18.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.318 17.589 -20.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.195 16.445 -20.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.743 15.947 -20.278 1.00 0.00 H new ATOM 306 N ASN A 88 -9.110 10.945 -16.809 1.00 0.00 N ATOM 307 CA ASN A 88 -8.706 9.589 -17.274 1.00 0.00 C ATOM 308 C ASN A 88 -9.716 8.563 -16.757 1.00 0.00 C ATOM 309 O ASN A 88 -10.240 7.760 -17.503 1.00 0.00 O ATOM 310 CB ASN A 88 -7.312 9.253 -16.738 1.00 0.00 C ATOM 311 CG ASN A 88 -7.315 9.330 -15.211 1.00 0.00 C ATOM 312 OD1 ASN A 88 -7.744 8.310 -14.518 1.00 0.00 O flip ATOM 313 ND2 ASN A 88 -6.920 10.325 -14.640 1.00 0.00 N flip ATOM 0 H ASN A 88 -8.458 11.398 -16.169 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.683 9.567 -18.364 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.019 8.254 -17.061 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.578 9.948 -17.145 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.584 11.123 -15.179 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.924 10.363 -13.621 1.00 0.00 H new ATOM 320 N LEU A 89 -10.000 8.591 -15.483 1.00 0.00 N ATOM 321 CA LEU A 89 -10.981 7.627 -14.917 1.00 0.00 C ATOM 322 C LEU A 89 -12.316 7.796 -15.646 1.00 0.00 C ATOM 323 O LEU A 89 -12.946 6.835 -16.040 1.00 0.00 O ATOM 324 CB LEU A 89 -11.169 7.909 -13.419 1.00 0.00 C ATOM 325 CG LEU A 89 -12.016 6.795 -12.766 1.00 0.00 C ATOM 326 CD1 LEU A 89 -11.124 5.611 -12.370 1.00 0.00 C ATOM 327 CD2 LEU A 89 -12.701 7.338 -11.507 1.00 0.00 C ATOM 0 H LEU A 89 -9.593 9.241 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.618 6.607 -15.045 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.197 7.971 -12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.657 8.874 -13.282 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.764 6.462 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.734 4.833 -11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.634 5.211 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.369 5.946 -11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.298 6.549 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.945 7.678 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.348 8.173 -11.776 1.00 0.00 H new ATOM 339 N SER A 90 -12.748 9.014 -15.832 1.00 0.00 N ATOM 340 CA SER A 90 -14.037 9.249 -16.536 1.00 0.00 C ATOM 341 C SER A 90 -13.878 8.901 -18.019 1.00 0.00 C ATOM 342 O SER A 90 -14.829 8.550 -18.689 1.00 0.00 O ATOM 343 CB SER A 90 -14.429 10.722 -16.398 1.00 0.00 C ATOM 344 OG SER A 90 -13.818 11.469 -17.443 1.00 0.00 O ATOM 0 H SER A 90 -12.262 9.857 -15.526 1.00 0.00 H new ATOM 0 HA SER A 90 -14.813 8.622 -16.096 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.513 10.828 -16.445 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.113 11.105 -15.428 1.00 0.00 H new ATOM 0 HG SER A 90 -12.855 11.288 -17.454 1.00 0.00 H new ATOM 350 N ARG A 91 -12.684 8.999 -18.535 1.00 0.00 N ATOM 351 CA ARG A 91 -12.461 8.680 -19.975 1.00 0.00 C ATOM 352 C ARG A 91 -12.617 7.174 -20.203 1.00 0.00 C ATOM 353 O ARG A 91 -12.918 6.734 -21.294 1.00 0.00 O ATOM 354 CB ARG A 91 -11.048 9.119 -20.382 1.00 0.00 C ATOM 355 CG ARG A 91 -10.752 8.726 -21.855 1.00 0.00 C ATOM 356 CD ARG A 91 -9.869 7.471 -21.907 1.00 0.00 C ATOM 357 NE ARG A 91 -8.540 7.778 -21.305 1.00 0.00 N ATOM 358 CZ ARG A 91 -7.524 6.989 -21.525 1.00 0.00 C ATOM 359 NH1 ARG A 91 -6.360 7.265 -21.002 1.00 0.00 N ATOM 360 NH2 ARG A 91 -7.671 5.927 -22.267 1.00 0.00 N ATOM 0 H ARG A 91 -11.851 9.287 -18.021 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.196 9.211 -20.580 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.949 10.198 -20.262 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.314 8.656 -19.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.687 8.543 -22.384 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.254 9.550 -22.365 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.346 6.654 -21.366 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.746 7.141 -22.939 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.425 8.606 -20.720 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.246 8.096 -20.422 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.565 6.649 -21.173 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.580 5.712 -22.676 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.877 5.311 -22.439 1.00 0.00 H new ATOM 374 N LEU A 92 -12.416 6.379 -19.185 1.00 0.00 N ATOM 375 CA LEU A 92 -12.559 4.901 -19.356 1.00 0.00 C ATOM 376 C LEU A 92 -13.859 4.602 -20.107 1.00 0.00 C ATOM 377 O LEU A 92 -14.042 3.531 -20.652 1.00 0.00 O ATOM 378 CB LEU A 92 -12.594 4.224 -17.983 1.00 0.00 C ATOM 379 CG LEU A 92 -11.327 4.576 -17.193 1.00 0.00 C ATOM 380 CD1 LEU A 92 -11.451 4.022 -15.769 1.00 0.00 C ATOM 381 CD2 LEU A 92 -10.090 3.969 -17.877 1.00 0.00 C ATOM 0 H LEU A 92 -12.160 6.686 -18.247 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.712 4.517 -19.924 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.478 4.546 -17.432 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.669 3.143 -18.103 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.214 5.660 -17.159 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.553 4.269 -15.203 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.320 4.463 -15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.568 2.939 -15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.197 4.225 -17.307 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.194 2.885 -17.921 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.002 4.366 -18.888 1.00 0.00 H new ATOM 393 N PHE A 93 -14.758 5.553 -20.145 1.00 0.00 N ATOM 394 CA PHE A 93 -16.056 5.362 -20.865 1.00 0.00 C ATOM 395 C PHE A 93 -16.013 6.198 -22.164 1.00 0.00 C ATOM 396 O PHE A 93 -16.212 7.394 -22.124 1.00 0.00 O ATOM 397 CB PHE A 93 -17.206 5.864 -19.952 1.00 0.00 C ATOM 398 CG PHE A 93 -17.986 4.693 -19.387 1.00 0.00 C ATOM 399 CD1 PHE A 93 -19.186 4.298 -19.990 1.00 0.00 C ATOM 400 CD2 PHE A 93 -17.506 4.006 -18.266 1.00 0.00 C ATOM 401 CE1 PHE A 93 -19.907 3.216 -19.470 1.00 0.00 C ATOM 402 CE2 PHE A 93 -18.227 2.924 -17.746 1.00 0.00 C ATOM 403 CZ PHE A 93 -19.428 2.530 -18.348 1.00 0.00 C ATOM 0 H PHE A 93 -14.647 6.465 -19.702 1.00 0.00 H new ATOM 0 HA PHE A 93 -16.219 4.312 -21.107 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.797 6.463 -19.138 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.873 6.512 -20.520 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -19.556 4.827 -20.856 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -16.579 4.310 -17.802 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -20.833 2.911 -19.935 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -17.857 2.394 -16.881 1.00 0.00 H new ATOM 0 HZ PHE A 93 -19.985 1.696 -17.946 1.00 0.00 H new ATOM 413 N PRO A 94 -15.751 5.593 -23.305 1.00 0.00 N ATOM 414 CA PRO A 94 -15.684 6.339 -24.596 1.00 0.00 C ATOM 415 C PRO A 94 -16.814 7.367 -24.732 1.00 0.00 C ATOM 416 O PRO A 94 -16.681 8.367 -25.411 1.00 0.00 O ATOM 417 CB PRO A 94 -15.815 5.233 -25.646 1.00 0.00 C ATOM 418 CG PRO A 94 -15.179 4.042 -25.006 1.00 0.00 C ATOM 419 CD PRO A 94 -15.492 4.150 -23.508 1.00 0.00 C ATOM 0 HA PRO A 94 -14.768 6.922 -24.691 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -16.859 5.042 -25.894 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.311 5.503 -26.574 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.577 3.116 -25.422 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.103 4.033 -25.180 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.357 3.546 -23.236 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.657 3.804 -22.899 1.00 0.00 H new ATOM 427 N GLY A 95 -17.925 7.125 -24.092 1.00 0.00 N ATOM 428 CA GLY A 95 -19.068 8.077 -24.185 1.00 0.00 C ATOM 429 C GLY A 95 -18.688 9.431 -23.578 1.00 0.00 C ATOM 430 O GLY A 95 -19.447 10.378 -23.642 1.00 0.00 O ATOM 0 H GLY A 95 -18.091 6.306 -23.507 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.357 8.207 -25.228 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.933 7.668 -23.664 1.00 0.00 H new ATOM 434 N TRP A 96 -17.528 9.541 -22.988 1.00 0.00 N ATOM 435 CA TRP A 96 -17.134 10.848 -22.386 1.00 0.00 C ATOM 436 C TRP A 96 -16.943 11.881 -23.500 1.00 0.00 C ATOM 437 O TRP A 96 -16.839 13.066 -23.254 1.00 0.00 O ATOM 438 CB TRP A 96 -15.839 10.688 -21.573 1.00 0.00 C ATOM 439 CG TRP A 96 -14.644 10.652 -22.478 1.00 0.00 C ATOM 440 CD1 TRP A 96 -14.381 9.681 -23.378 1.00 0.00 C ATOM 441 CD2 TRP A 96 -13.555 11.615 -22.584 1.00 0.00 C ATOM 442 NE1 TRP A 96 -13.199 9.984 -24.031 1.00 0.00 N ATOM 443 CE2 TRP A 96 -12.653 11.166 -23.576 1.00 0.00 C ATOM 444 CE3 TRP A 96 -13.266 12.822 -21.922 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -11.505 11.885 -23.901 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -12.110 13.550 -22.248 1.00 0.00 C ATOM 447 CH2 TRP A 96 -11.231 13.082 -23.236 1.00 0.00 C ATOM 0 H TRP A 96 -16.842 8.791 -22.897 1.00 0.00 H new ATOM 0 HA TRP A 96 -17.920 11.190 -21.713 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -15.742 11.514 -20.868 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -15.884 9.771 -20.986 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -14.993 8.810 -23.559 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -12.783 9.404 -24.760 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -13.936 13.191 -21.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -10.832 11.519 -24.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -11.896 14.476 -21.735 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.344 13.647 -23.482 1.00 0.00 H new ATOM 458 N LYS A 97 -16.893 11.436 -24.723 1.00 0.00 N ATOM 459 CA LYS A 97 -16.705 12.383 -25.855 1.00 0.00 C ATOM 460 C LYS A 97 -17.854 13.385 -25.892 1.00 0.00 C ATOM 461 O LYS A 97 -17.803 14.375 -26.595 1.00 0.00 O ATOM 462 CB LYS A 97 -16.685 11.602 -27.165 1.00 0.00 C ATOM 463 CG LYS A 97 -17.945 10.739 -27.278 1.00 0.00 C ATOM 464 CD LYS A 97 -17.954 10.010 -28.627 1.00 0.00 C ATOM 465 CE LYS A 97 -16.746 9.069 -28.731 1.00 0.00 C ATOM 466 NZ LYS A 97 -17.054 7.975 -29.696 1.00 0.00 N ATOM 0 H LYS A 97 -16.974 10.454 -24.988 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.764 12.917 -25.722 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.629 12.291 -28.008 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.797 10.971 -27.209 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.976 10.016 -26.463 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.834 11.363 -27.185 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.877 9.441 -28.735 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.930 10.735 -29.440 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.867 9.623 -29.060 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.511 8.651 -27.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.237 7.336 -29.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.882 7.442 -29.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.258 8.384 -30.630 1.00 0.00 H new ATOM 480 N ALA A 98 -18.898 13.125 -25.149 1.00 0.00 N ATOM 481 CA ALA A 98 -20.077 14.037 -25.131 1.00 0.00 C ATOM 482 C ALA A 98 -20.300 14.550 -23.714 1.00 0.00 C ATOM 483 O ALA A 98 -20.933 15.564 -23.501 1.00 0.00 O ATOM 484 CB ALA A 98 -21.314 13.258 -25.574 1.00 0.00 C ATOM 0 H ALA A 98 -18.983 12.307 -24.546 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.900 14.877 -25.803 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -22.182 13.917 -25.564 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -21.161 12.875 -26.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -21.483 12.425 -24.892 1.00 0.00 H new ATOM 490 N TRP A 99 -19.801 13.845 -22.740 1.00 0.00 N ATOM 491 CA TRP A 99 -20.006 14.284 -21.339 1.00 0.00 C ATOM 492 C TRP A 99 -19.198 15.556 -21.083 1.00 0.00 C ATOM 493 O TRP A 99 -19.576 16.395 -20.289 1.00 0.00 O ATOM 494 CB TRP A 99 -19.553 13.184 -20.373 1.00 0.00 C ATOM 495 CG TRP A 99 -20.197 11.873 -20.724 1.00 0.00 C ATOM 496 CD1 TRP A 99 -21.157 11.680 -21.666 1.00 0.00 C ATOM 497 CD2 TRP A 99 -19.931 10.561 -20.146 1.00 0.00 C ATOM 498 NE1 TRP A 99 -21.489 10.338 -21.697 1.00 0.00 N ATOM 499 CE2 TRP A 99 -20.763 9.609 -20.780 1.00 0.00 C ATOM 500 CE3 TRP A 99 -19.055 10.110 -19.141 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -20.730 8.260 -20.431 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -19.019 8.750 -18.787 1.00 0.00 C ATOM 503 CH2 TRP A 99 -19.855 7.828 -19.432 1.00 0.00 C ATOM 0 H TRP A 99 -19.262 12.987 -22.855 1.00 0.00 H new ATOM 0 HA TRP A 99 -21.065 14.484 -21.177 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -18.468 13.084 -20.410 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -19.812 13.461 -19.351 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -21.590 12.449 -22.289 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -22.187 9.936 -22.323 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -18.407 10.813 -18.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -21.377 7.553 -20.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -18.344 8.414 -18.014 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -19.822 6.784 -19.157 1.00 0.00 H new ATOM 514 N VAL A 100 -18.089 15.708 -21.752 1.00 0.00 N ATOM 515 CA VAL A 100 -17.256 16.917 -21.553 1.00 0.00 C ATOM 516 C VAL A 100 -18.029 18.153 -22.020 1.00 0.00 C ATOM 517 O VAL A 100 -18.798 18.026 -22.960 1.00 0.00 O ATOM 518 CB VAL A 100 -15.966 16.781 -22.363 1.00 0.00 C ATOM 519 CG1 VAL A 100 -15.128 15.628 -21.807 1.00 0.00 C ATOM 520 CG2 VAL A 100 -16.305 16.503 -23.831 1.00 0.00 C ATOM 521 OXT VAL A 100 -17.840 19.205 -21.432 1.00 0.00 O ATOM 0 H VAL A 100 -17.725 15.040 -22.431 1.00 0.00 H new ATOM 0 HA VAL A 100 -17.012 17.023 -20.496 1.00 0.00 H new ATOM 0 HB VAL A 100 -15.399 17.709 -22.292 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.209 15.534 -22.386 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.881 15.828 -20.764 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.696 14.700 -21.874 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -15.384 16.407 -24.405 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.876 15.578 -23.904 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -16.897 17.327 -24.230 1.00 0.00 H new TER 531 VAL A 100