USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot -72:sc= 0.872 USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.387 F(o=-0.43,f=0.49) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.209 (180deg=-1.36) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.4 F(o=-3.6!,f=-1.4) USER MOD Single : A 17 SER OG : rot -66:sc= 1.17 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.33! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -42:sc= 0.979 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -179:sc= 0 (180deg=-0.00252) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.11! USER MOD Single : A 52 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -1.35 (180deg=-1.35) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-7.2!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.256 F(o=-1.4,f=-0.26) USER MOD Single : A 61 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.34) USER MOD Single : A 62 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.035) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.613 F(o=-2.3!,f=-0.61) USER MOD Single : A 64 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.969 7.173 -14.579 1.00 1.00 N ATOM 2 CA MET A 1 54.656 8.322 -13.924 1.00 1.00 C ATOM 3 C MET A 1 54.220 9.621 -14.592 1.00 1.00 C ATOM 4 O MET A 1 54.319 9.767 -15.810 1.00 1.00 O ATOM 5 CB MET A 1 56.170 8.150 -14.056 1.00 1.00 C ATOM 6 CG MET A 1 56.499 7.552 -15.425 1.00 1.00 C ATOM 7 SD MET A 1 58.140 8.109 -15.949 1.00 1.00 S ATOM 8 CE MET A 1 58.173 7.251 -17.542 1.00 1.00 C ATOM 0 H1 MET A 1 54.536 6.311 -14.450 1.00 1.00 H new ATOM 0 H2 MET A 1 53.031 7.038 -14.149 1.00 1.00 H new ATOM 0 H3 MET A 1 53.860 7.367 -15.595 1.00 1.00 H new ATOM 0 HA MET A 1 54.390 8.356 -12.868 1.00 1.00 H new ATOM 0 HB2 MET A 1 56.667 9.113 -13.939 1.00 1.00 H new ATOM 0 HB3 MET A 1 56.543 7.500 -13.264 1.00 1.00 H new ATOM 0 HG2 MET A 1 56.472 6.464 -15.374 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.750 7.856 -16.156 1.00 1.00 H new ATOM 0 HE1 MET A 1 59.116 7.459 -18.048 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.077 6.177 -17.379 1.00 1.00 H new ATOM 0 HE3 MET A 1 57.345 7.599 -18.160 1.00 1.00 H new ATOM 20 N GLU A 2 53.736 10.561 -13.788 1.00 1.00 N ATOM 21 CA GLU A 2 53.286 11.845 -14.313 1.00 1.00 C ATOM 22 C GLU A 2 54.468 12.792 -14.496 1.00 1.00 C ATOM 23 O GLU A 2 54.288 13.979 -14.768 1.00 1.00 O ATOM 24 CB GLU A 2 52.270 12.474 -13.358 1.00 1.00 C ATOM 25 CG GLU A 2 51.082 11.526 -13.179 1.00 1.00 C ATOM 26 CD GLU A 2 50.846 11.261 -11.696 1.00 1.00 C ATOM 27 OE1 GLU A 2 51.798 10.912 -11.017 1.00 1.00 O ATOM 28 OE2 GLU A 2 49.716 11.410 -11.262 1.00 1.00 O ATOM 0 H GLU A 2 53.645 10.460 -12.777 1.00 1.00 H new ATOM 0 HA GLU A 2 52.816 11.675 -15.282 1.00 1.00 H new ATOM 0 HB2 GLU A 2 52.737 12.675 -12.394 1.00 1.00 H new ATOM 0 HB3 GLU A 2 51.929 13.431 -13.752 1.00 1.00 H new ATOM 0 HG2 GLU A 2 50.188 11.961 -13.626 1.00 1.00 H new ATOM 0 HG3 GLU A 2 51.274 10.587 -13.699 1.00 1.00 H new ATOM 35 N GLU A 3 55.676 12.260 -14.346 1.00 1.00 N ATOM 36 CA GLU A 3 56.881 13.067 -14.497 1.00 1.00 C ATOM 37 C GLU A 3 58.120 12.179 -14.529 1.00 1.00 C ATOM 38 O GLU A 3 58.938 12.272 -15.444 1.00 1.00 O ATOM 39 CB GLU A 3 56.992 14.061 -13.339 1.00 1.00 C ATOM 40 CG GLU A 3 57.204 15.470 -13.894 1.00 1.00 C ATOM 41 CD GLU A 3 57.411 16.455 -12.749 1.00 1.00 C ATOM 42 OE1 GLU A 3 58.271 16.200 -11.922 1.00 1.00 O ATOM 43 OE2 GLU A 3 56.708 17.452 -12.716 1.00 1.00 O ATOM 0 H GLU A 3 55.846 11.280 -14.121 1.00 1.00 H new ATOM 0 HA GLU A 3 56.815 13.612 -15.438 1.00 1.00 H new ATOM 0 HB2 GLU A 3 56.087 14.030 -12.732 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.822 13.786 -12.688 1.00 1.00 H new ATOM 0 HG2 GLU A 3 58.069 15.483 -14.556 1.00 1.00 H new ATOM 0 HG3 GLU A 3 56.342 15.769 -14.490 1.00 1.00 H new ATOM 50 N GLY A 4 58.253 11.318 -13.525 1.00 1.00 N ATOM 51 CA GLY A 4 59.397 10.418 -13.449 1.00 1.00 C ATOM 52 C GLY A 4 60.667 11.181 -13.088 1.00 1.00 C ATOM 53 O GLY A 4 61.774 10.658 -13.216 1.00 1.00 O ATOM 0 H GLY A 4 57.587 11.225 -12.758 1.00 1.00 H new ATOM 0 HA2 GLY A 4 59.208 9.645 -12.704 1.00 1.00 H new ATOM 0 HA3 GLY A 4 59.531 9.912 -14.405 1.00 1.00 H new ATOM 57 N GLY A 5 60.499 12.419 -12.638 1.00 1.00 N ATOM 58 CA GLY A 5 61.641 13.245 -12.261 1.00 1.00 C ATOM 59 C GLY A 5 62.701 13.242 -13.357 1.00 1.00 C ATOM 60 O GLY A 5 62.400 12.997 -14.525 1.00 1.00 O ATOM 0 H GLY A 5 59.591 12.871 -12.526 1.00 1.00 H new ATOM 0 HA2 GLY A 5 61.310 14.266 -12.073 1.00 1.00 H new ATOM 0 HA3 GLY A 5 62.072 12.874 -11.331 1.00 1.00 H new ATOM 64 N ASP A 6 63.943 13.516 -12.972 1.00 1.00 N ATOM 65 CA ASP A 6 65.041 13.541 -13.931 1.00 1.00 C ATOM 66 C ASP A 6 66.280 12.871 -13.345 1.00 1.00 C ATOM 67 O ASP A 6 67.366 12.940 -13.922 1.00 1.00 O ATOM 68 CB ASP A 6 65.371 14.986 -14.309 1.00 1.00 C ATOM 69 CG ASP A 6 64.726 15.335 -15.646 1.00 1.00 C ATOM 70 OD1 ASP A 6 64.968 14.619 -16.604 1.00 1.00 O ATOM 71 OD2 ASP A 6 63.999 16.314 -15.692 1.00 1.00 O ATOM 0 H ASP A 6 64.213 13.722 -12.010 1.00 1.00 H new ATOM 0 HA ASP A 6 64.733 12.994 -14.822 1.00 1.00 H new ATOM 0 HB2 ASP A 6 65.012 15.664 -13.535 1.00 1.00 H new ATOM 0 HB3 ASP A 6 66.451 15.117 -14.372 1.00 1.00 H new ATOM 76 N PHE A 7 66.109 12.223 -12.198 1.00 1.00 N ATOM 77 CA PHE A 7 67.221 11.544 -11.543 1.00 1.00 C ATOM 78 C PHE A 7 66.748 10.248 -10.891 1.00 1.00 C ATOM 79 O PHE A 7 67.136 9.930 -9.766 1.00 1.00 O ATOM 80 CB PHE A 7 67.838 12.455 -10.481 1.00 1.00 C ATOM 81 CG PHE A 7 68.221 13.773 -11.110 1.00 1.00 C ATOM 82 CD1 PHE A 7 69.446 13.901 -11.778 1.00 1.00 C ATOM 83 CD2 PHE A 7 67.353 14.868 -11.028 1.00 1.00 C ATOM 84 CE1 PHE A 7 69.801 15.122 -12.362 1.00 1.00 C ATOM 85 CE2 PHE A 7 67.708 16.090 -11.612 1.00 1.00 C ATOM 86 CZ PHE A 7 68.933 16.217 -12.278 1.00 1.00 C ATOM 0 H PHE A 7 65.218 12.154 -11.706 1.00 1.00 H new ATOM 0 HA PHE A 7 67.971 11.306 -12.297 1.00 1.00 H new ATOM 0 HB2 PHE A 7 67.128 12.619 -9.670 1.00 1.00 H new ATOM 0 HB3 PHE A 7 68.716 11.979 -10.044 1.00 1.00 H new ATOM 0 HD1 PHE A 7 70.117 13.057 -11.842 1.00 1.00 H new ATOM 0 HD2 PHE A 7 66.408 14.770 -10.514 1.00 1.00 H new ATOM 0 HE1 PHE A 7 70.745 15.220 -12.878 1.00 1.00 H new ATOM 0 HE2 PHE A 7 67.037 16.934 -11.549 1.00 1.00 H new ATOM 0 HZ PHE A 7 69.208 17.160 -12.727 1.00 1.00 H new ATOM 96 N ASP A 8 65.907 9.505 -11.603 1.00 1.00 N ATOM 97 CA ASP A 8 65.387 8.245 -11.084 1.00 1.00 C ATOM 98 C ASP A 8 65.131 7.262 -12.221 1.00 1.00 C ATOM 99 O ASP A 8 64.050 6.681 -12.319 1.00 1.00 O ATOM 100 CB ASP A 8 64.087 8.494 -10.318 1.00 1.00 C ATOM 101 CG ASP A 8 64.393 9.110 -8.956 1.00 1.00 C ATOM 102 OD1 ASP A 8 65.359 8.689 -8.341 1.00 1.00 O ATOM 103 OD2 ASP A 8 63.658 9.994 -8.550 1.00 1.00 O ATOM 0 H ASP A 8 65.573 9.751 -12.535 1.00 1.00 H new ATOM 0 HA ASP A 8 66.129 7.817 -10.410 1.00 1.00 H new ATOM 0 HB2 ASP A 8 63.440 9.159 -10.890 1.00 1.00 H new ATOM 0 HB3 ASP A 8 63.546 7.557 -10.189 1.00 1.00 H new ATOM 108 N ASN A 9 66.130 7.081 -13.077 1.00 1.00 N ATOM 109 CA ASN A 9 66.001 6.165 -14.204 1.00 1.00 C ATOM 110 C ASN A 9 67.355 5.558 -14.561 1.00 1.00 C ATOM 111 O ASN A 9 67.509 4.338 -14.594 1.00 1.00 O ATOM 112 CB ASN A 9 65.437 6.906 -15.418 1.00 1.00 C ATOM 113 CG ASN A 9 64.328 6.083 -16.063 1.00 1.00 C ATOM 114 OD1 ASN A 9 64.601 5.195 -16.870 1.00 1.00 O ATOM 115 ND2 ASN A 9 63.083 6.328 -15.754 1.00 1.00 N ATOM 0 H ASN A 9 67.032 7.553 -13.013 1.00 1.00 H new ATOM 0 HA ASN A 9 65.320 5.363 -13.919 1.00 1.00 H new ATOM 0 HB2 ASN A 9 65.049 7.878 -15.113 1.00 1.00 H new ATOM 0 HB3 ASN A 9 66.231 7.092 -16.142 1.00 1.00 H new ATOM 0 HD21 ASN A 9 62.335 5.783 -16.182 1.00 1.00 H new ATOM 0 HD22 ASN A 9 62.859 7.065 -15.085 1.00 1.00 H new ATOM 122 N TYR A 10 68.331 6.419 -14.825 1.00 1.00 N ATOM 123 CA TYR A 10 69.669 5.956 -15.178 1.00 1.00 C ATOM 124 C TYR A 10 70.504 5.723 -13.923 1.00 1.00 C ATOM 125 O TYR A 10 71.717 5.527 -14.000 1.00 1.00 O ATOM 126 CB TYR A 10 70.361 6.989 -16.070 1.00 1.00 C ATOM 127 CG TYR A 10 70.643 6.379 -17.422 1.00 1.00 C ATOM 128 CD1 TYR A 10 69.598 6.174 -18.329 1.00 1.00 C ATOM 129 CD2 TYR A 10 71.951 6.017 -17.767 1.00 1.00 C ATOM 130 CE1 TYR A 10 69.859 5.609 -19.583 1.00 1.00 C ATOM 131 CE2 TYR A 10 72.212 5.451 -19.021 1.00 1.00 C ATOM 132 CZ TYR A 10 71.167 5.247 -19.929 1.00 1.00 C ATOM 133 OH TYR A 10 71.425 4.689 -21.164 1.00 1.00 O ATOM 0 H TYR A 10 68.224 7.433 -14.802 1.00 1.00 H new ATOM 0 HA TYR A 10 69.576 5.014 -15.719 1.00 1.00 H new ATOM 0 HB2 TYR A 10 69.729 7.870 -16.181 1.00 1.00 H new ATOM 0 HB3 TYR A 10 71.291 7.320 -15.607 1.00 1.00 H new ATOM 0 HD1 TYR A 10 68.589 6.452 -18.062 1.00 1.00 H new ATOM 0 HD2 TYR A 10 72.758 6.174 -17.067 1.00 1.00 H new ATOM 0 HE1 TYR A 10 69.052 5.452 -20.283 1.00 1.00 H new ATOM 0 HE2 TYR A 10 73.221 5.172 -19.288 1.00 1.00 H new ATOM 0 HH TYR A 10 72.383 4.498 -21.243 1.00 1.00 H new ATOM 143 N TYR A 11 69.847 5.748 -12.768 1.00 1.00 N ATOM 144 CA TYR A 11 70.539 5.538 -11.502 1.00 1.00 C ATOM 145 C TYR A 11 70.610 4.052 -11.170 1.00 1.00 C ATOM 146 O TYR A 11 69.775 3.530 -10.431 1.00 1.00 O ATOM 147 CB TYR A 11 69.811 6.279 -10.379 1.00 1.00 C ATOM 148 CG TYR A 11 70.409 7.657 -10.214 1.00 1.00 C ATOM 149 CD1 TYR A 11 70.440 8.538 -11.302 1.00 1.00 C ATOM 150 CD2 TYR A 11 70.930 8.053 -8.977 1.00 1.00 C ATOM 151 CE1 TYR A 11 70.993 9.816 -11.152 1.00 1.00 C ATOM 152 CE2 TYR A 11 71.484 9.331 -8.827 1.00 1.00 C ATOM 153 CZ TYR A 11 71.516 10.212 -9.916 1.00 1.00 C ATOM 154 OH TYR A 11 72.061 11.471 -9.768 1.00 1.00 O ATOM 0 H TYR A 11 68.844 5.910 -12.682 1.00 1.00 H new ATOM 0 HA TYR A 11 71.553 5.927 -11.596 1.00 1.00 H new ATOM 0 HB2 TYR A 11 68.749 6.357 -10.610 1.00 1.00 H new ATOM 0 HB3 TYR A 11 69.895 5.721 -9.447 1.00 1.00 H new ATOM 0 HD1 TYR A 11 70.038 8.232 -12.256 1.00 1.00 H new ATOM 0 HD2 TYR A 11 70.905 7.373 -8.138 1.00 1.00 H new ATOM 0 HE1 TYR A 11 71.016 10.496 -11.991 1.00 1.00 H new ATOM 0 HE2 TYR A 11 71.886 9.637 -7.873 1.00 1.00 H new ATOM 0 HH TYR A 11 72.377 11.585 -8.847 1.00 1.00 H new ATOM 164 N GLY A 12 71.612 3.374 -11.721 1.00 1.00 N ATOM 165 CA GLY A 12 71.782 1.947 -11.476 1.00 1.00 C ATOM 166 C GLY A 12 70.447 1.217 -11.560 1.00 1.00 C ATOM 167 O GLY A 12 69.932 0.725 -10.555 1.00 1.00 O ATOM 0 H GLY A 12 72.314 3.786 -12.336 1.00 1.00 H new ATOM 0 HA2 GLY A 12 72.476 1.529 -12.205 1.00 1.00 H new ATOM 0 HA3 GLY A 12 72.224 1.793 -10.491 1.00 1.00 H new ATOM 171 N ALA A 13 69.889 1.149 -12.765 1.00 1.00 N ATOM 172 CA ALA A 13 68.613 0.476 -12.968 1.00 1.00 C ATOM 173 C ALA A 13 68.223 0.498 -14.443 1.00 1.00 C ATOM 174 O ALA A 13 68.538 -0.427 -15.191 1.00 1.00 O ATOM 175 CB ALA A 13 67.523 1.162 -12.141 1.00 1.00 C ATOM 0 H ALA A 13 70.298 1.549 -13.610 1.00 1.00 H new ATOM 0 HA ALA A 13 68.716 -0.560 -12.646 1.00 1.00 H new ATOM 0 HB1 ALA A 13 66.572 0.653 -12.298 1.00 1.00 H new ATOM 0 HB2 ALA A 13 67.787 1.119 -11.084 1.00 1.00 H new ATOM 0 HB3 ALA A 13 67.433 2.203 -12.451 1.00 1.00 H new ATOM 181 N ASP A 14 67.538 1.560 -14.853 1.00 1.00 N ATOM 182 CA ASP A 14 67.112 1.691 -16.241 1.00 1.00 C ATOM 183 C ASP A 14 66.366 0.440 -16.694 1.00 1.00 C ATOM 184 O ASP A 14 66.095 0.263 -17.882 1.00 1.00 O ATOM 185 CB ASP A 14 68.327 1.918 -17.142 1.00 1.00 C ATOM 186 CG ASP A 14 67.873 2.203 -18.570 1.00 1.00 C ATOM 187 OD1 ASP A 14 66.918 2.946 -18.729 1.00 1.00 O ATOM 188 OD2 ASP A 14 68.486 1.674 -19.482 1.00 1.00 O ATOM 0 H ASP A 14 67.268 2.337 -14.249 1.00 1.00 H new ATOM 0 HA ASP A 14 66.441 2.547 -16.315 1.00 1.00 H new ATOM 0 HB2 ASP A 14 68.918 2.753 -16.766 1.00 1.00 H new ATOM 0 HB3 ASP A 14 68.971 1.039 -17.125 1.00 1.00 H new ATOM 193 N ASN A 15 66.038 -0.425 -15.740 1.00 1.00 N ATOM 194 CA ASN A 15 65.324 -1.657 -16.052 1.00 1.00 C ATOM 195 C ASN A 15 65.961 -2.358 -17.248 1.00 1.00 C ATOM 196 O ASN A 15 65.663 -2.038 -18.398 1.00 1.00 O ATOM 197 CB ASN A 15 63.858 -1.347 -16.362 1.00 1.00 C ATOM 198 CG ASN A 15 62.992 -1.651 -15.145 1.00 1.00 C ATOM 199 OD1 ASN A 15 62.047 -2.436 -15.235 1.00 1.00 O ATOM 200 ND2 ASN A 15 63.258 -1.075 -14.005 1.00 1.00 N ATOM 0 H ASN A 15 66.253 -0.297 -14.751 1.00 1.00 H new ATOM 0 HA ASN A 15 65.381 -2.316 -15.186 1.00 1.00 H new ATOM 0 HB2 ASN A 15 63.751 -0.299 -16.642 1.00 1.00 H new ATOM 0 HB3 ASN A 15 63.524 -1.940 -17.213 1.00 1.00 H new ATOM 0 HD21 ASN A 15 62.683 -1.274 -13.186 1.00 1.00 H new ATOM 0 HD22 ASN A 15 64.041 -0.425 -13.932 1.00 1.00 H new ATOM 207 N GLN A 16 66.839 -3.315 -16.966 1.00 1.00 N ATOM 208 CA GLN A 16 67.514 -4.055 -18.027 1.00 1.00 C ATOM 209 C GLN A 16 66.701 -5.283 -18.423 1.00 1.00 C ATOM 210 O GLN A 16 66.539 -5.577 -19.608 1.00 1.00 O ATOM 211 CB GLN A 16 68.904 -4.490 -17.558 1.00 1.00 C ATOM 212 CG GLN A 16 69.971 -3.754 -18.371 1.00 1.00 C ATOM 213 CD GLN A 16 69.845 -2.250 -18.155 1.00 1.00 C ATOM 214 OE1 GLN A 16 69.325 -1.801 -17.047 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 70.231 -1.463 -19.019 1.00 1.00 N flip ATOM 0 H GLN A 16 67.099 -3.595 -16.020 1.00 1.00 H new ATOM 0 HA GLN A 16 67.612 -3.402 -18.894 1.00 1.00 H new ATOM 0 HB2 GLN A 16 69.026 -4.272 -16.497 1.00 1.00 H new ATOM 0 HB3 GLN A 16 69.019 -5.567 -17.678 1.00 1.00 H new ATOM 0 HG2 GLN A 16 70.964 -4.091 -18.073 1.00 1.00 H new ATOM 0 HG3 GLN A 16 69.860 -3.988 -19.430 1.00 1.00 H new ATOM 0 HE21 GLN A 16 70.638 -1.816 -19.885 1.00 1.00 H new ATOM 0 HE22 GLN A 16 70.144 -0.458 -18.869 1.00 1.00 H new ATOM 224 N SER A 17 66.192 -5.998 -17.425 1.00 1.00 N ATOM 225 CA SER A 17 65.397 -7.193 -17.682 1.00 1.00 C ATOM 226 C SER A 17 64.666 -7.633 -16.417 1.00 1.00 C ATOM 227 O SER A 17 64.525 -8.827 -16.153 1.00 1.00 O ATOM 228 CB SER A 17 66.300 -8.325 -18.171 1.00 1.00 C ATOM 229 OG SER A 17 65.533 -9.516 -18.298 1.00 1.00 O ATOM 0 H SER A 17 66.315 -5.773 -16.438 1.00 1.00 H new ATOM 0 HA SER A 17 64.660 -6.958 -18.450 1.00 1.00 H new ATOM 0 HB2 SER A 17 66.746 -8.062 -19.130 1.00 1.00 H new ATOM 0 HB3 SER A 17 67.120 -8.480 -17.470 1.00 1.00 H new ATOM 0 HG SER A 17 65.235 -9.809 -17.412 1.00 1.00 H new ATOM 235 N GLU A 18 64.204 -6.660 -15.638 1.00 1.00 N ATOM 236 CA GLU A 18 63.490 -6.959 -14.403 1.00 1.00 C ATOM 237 C GLU A 18 62.120 -7.556 -14.707 1.00 1.00 C ATOM 238 O GLU A 18 61.673 -7.555 -15.854 1.00 1.00 O ATOM 239 CB GLU A 18 63.319 -5.682 -13.576 1.00 1.00 C ATOM 240 CG GLU A 18 63.719 -5.956 -12.125 1.00 1.00 C ATOM 241 CD GLU A 18 65.231 -6.123 -12.024 1.00 1.00 C ATOM 242 OE1 GLU A 18 65.867 -6.222 -13.060 1.00 1.00 O ATOM 243 OE2 GLU A 18 65.731 -6.151 -10.911 1.00 1.00 O ATOM 0 H GLU A 18 64.310 -5.665 -15.838 1.00 1.00 H new ATOM 0 HA GLU A 18 64.073 -7.685 -13.836 1.00 1.00 H new ATOM 0 HB2 GLU A 18 63.935 -4.883 -13.989 1.00 1.00 H new ATOM 0 HB3 GLU A 18 62.284 -5.343 -13.621 1.00 1.00 H new ATOM 0 HG2 GLU A 18 63.392 -5.134 -11.488 1.00 1.00 H new ATOM 0 HG3 GLU A 18 63.221 -6.856 -11.765 1.00 1.00 H new ATOM 250 N CYS A 19 61.459 -8.066 -13.673 1.00 1.00 N ATOM 251 CA CYS A 19 60.141 -8.666 -13.842 1.00 1.00 C ATOM 252 C CYS A 19 60.136 -9.626 -15.026 1.00 1.00 C ATOM 253 O CYS A 19 59.078 -9.969 -15.555 1.00 1.00 O ATOM 254 CB CYS A 19 59.095 -7.573 -14.065 1.00 1.00 C ATOM 255 SG CYS A 19 58.698 -6.786 -12.484 1.00 1.00 S ATOM 0 H CYS A 19 61.811 -8.076 -12.716 1.00 1.00 H new ATOM 0 HA CYS A 19 59.898 -9.223 -12.937 1.00 1.00 H new ATOM 0 HB2 CYS A 19 59.473 -6.831 -14.768 1.00 1.00 H new ATOM 0 HB3 CYS A 19 58.195 -8.001 -14.507 1.00 1.00 H new ATOM 0 HG CYS A 19 57.810 -5.855 -12.673 1.00 1.00 H new ATOM 261 N GLU A 20 61.325 -10.055 -15.438 1.00 1.00 N ATOM 262 CA GLU A 20 61.448 -10.977 -16.562 1.00 1.00 C ATOM 263 C GLU A 20 62.469 -12.066 -16.253 1.00 1.00 C ATOM 264 O GLU A 20 63.030 -12.681 -17.161 1.00 1.00 O ATOM 265 CB GLU A 20 61.875 -10.214 -17.818 1.00 1.00 C ATOM 266 CG GLU A 20 60.658 -9.524 -18.437 1.00 1.00 C ATOM 267 CD GLU A 20 60.053 -10.409 -19.522 1.00 1.00 C ATOM 268 OE1 GLU A 20 60.175 -11.617 -19.411 1.00 1.00 O ATOM 269 OE2 GLU A 20 59.477 -9.864 -20.449 1.00 1.00 O ATOM 0 H GLU A 20 62.211 -9.781 -15.014 1.00 1.00 H new ATOM 0 HA GLU A 20 60.478 -11.444 -16.733 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.636 -9.475 -17.566 1.00 1.00 H new ATOM 0 HB3 GLU A 20 62.322 -10.899 -18.538 1.00 1.00 H new ATOM 0 HG2 GLU A 20 59.915 -9.319 -17.667 1.00 1.00 H new ATOM 0 HG3 GLU A 20 60.951 -8.563 -18.861 1.00 1.00 H new ATOM 276 N TYR A 21 62.706 -12.300 -14.967 1.00 1.00 N ATOM 277 CA TYR A 21 63.664 -13.318 -14.549 1.00 1.00 C ATOM 278 C TYR A 21 62.947 -14.620 -14.208 1.00 1.00 C ATOM 279 O TYR A 21 63.541 -15.538 -13.644 1.00 1.00 O ATOM 280 CB TYR A 21 64.447 -12.829 -13.329 1.00 1.00 C ATOM 281 CG TYR A 21 65.824 -12.384 -13.760 1.00 1.00 C ATOM 282 CD1 TYR A 21 66.013 -11.096 -14.276 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.910 -13.259 -13.645 1.00 1.00 C ATOM 284 CE1 TYR A 21 67.290 -10.683 -14.675 1.00 1.00 C ATOM 285 CE2 TYR A 21 68.187 -12.846 -14.044 1.00 1.00 C ATOM 286 CZ TYR A 21 68.377 -11.559 -14.559 1.00 1.00 C ATOM 287 OH TYR A 21 69.635 -11.151 -14.952 1.00 1.00 O ATOM 0 H TYR A 21 62.252 -11.803 -14.201 1.00 1.00 H new ATOM 0 HA TYR A 21 64.354 -13.501 -15.373 1.00 1.00 H new ATOM 0 HB2 TYR A 21 63.919 -12.003 -12.852 1.00 1.00 H new ATOM 0 HB3 TYR A 21 64.526 -13.627 -12.590 1.00 1.00 H new ATOM 0 HD1 TYR A 21 65.174 -10.422 -14.366 1.00 1.00 H new ATOM 0 HD2 TYR A 21 66.763 -14.253 -13.249 1.00 1.00 H new ATOM 0 HE1 TYR A 21 67.437 -9.689 -15.072 1.00 1.00 H new ATOM 0 HE2 TYR A 21 69.025 -13.521 -13.954 1.00 1.00 H new ATOM 0 HH TYR A 21 70.276 -11.878 -14.804 1.00 1.00 H new ATOM 297 N THR A 22 61.666 -14.693 -14.555 1.00 1.00 N ATOM 298 CA THR A 22 60.876 -15.888 -14.281 1.00 1.00 C ATOM 299 C THR A 22 60.487 -15.947 -12.807 1.00 1.00 C ATOM 300 O THR A 22 60.346 -17.028 -12.234 1.00 1.00 O ATOM 301 CB THR A 22 61.677 -17.139 -14.649 1.00 1.00 C ATOM 302 OG1 THR A 22 62.647 -16.805 -15.633 1.00 1.00 O ATOM 303 CG2 THR A 22 60.733 -18.206 -15.203 1.00 1.00 C ATOM 0 H THR A 22 61.156 -13.944 -15.023 1.00 1.00 H new ATOM 0 HA THR A 22 59.969 -15.847 -14.883 1.00 1.00 H new ATOM 0 HB THR A 22 62.177 -17.526 -13.761 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.162 -17.604 -15.869 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.304 -19.097 -15.465 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.989 -18.461 -14.448 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.232 -17.822 -16.092 1.00 1.00 H new ATOM 311 N ASP A 23 60.315 -14.778 -12.199 1.00 1.00 N ATOM 312 CA ASP A 23 59.942 -14.708 -10.790 1.00 1.00 C ATOM 313 C ASP A 23 58.932 -13.589 -10.557 1.00 1.00 C ATOM 314 O ASP A 23 58.753 -13.126 -9.431 1.00 1.00 O ATOM 315 CB ASP A 23 61.184 -14.464 -9.932 1.00 1.00 C ATOM 316 CG ASP A 23 61.939 -13.242 -10.444 1.00 1.00 C ATOM 317 OD1 ASP A 23 61.378 -12.519 -11.252 1.00 1.00 O ATOM 318 OD2 ASP A 23 63.066 -13.045 -10.020 1.00 1.00 O ATOM 0 H ASP A 23 60.427 -13.872 -12.655 1.00 1.00 H new ATOM 0 HA ASP A 23 59.486 -15.657 -10.507 1.00 1.00 H new ATOM 0 HB2 ASP A 23 60.894 -14.313 -8.892 1.00 1.00 H new ATOM 0 HB3 ASP A 23 61.832 -15.340 -9.958 1.00 1.00 H new ATOM 323 N TRP A 24 58.275 -13.159 -11.630 1.00 1.00 N ATOM 324 CA TRP A 24 57.284 -12.094 -11.532 1.00 1.00 C ATOM 325 C TRP A 24 55.887 -12.677 -11.353 1.00 1.00 C ATOM 326 O TRP A 24 54.978 -11.999 -10.875 1.00 1.00 O ATOM 327 CB TRP A 24 57.321 -11.230 -12.793 1.00 1.00 C ATOM 328 CG TRP A 24 56.709 -11.982 -13.930 1.00 1.00 C ATOM 329 CD1 TRP A 24 57.330 -12.949 -14.646 1.00 1.00 C ATOM 330 CD2 TRP A 24 55.372 -11.851 -14.495 1.00 1.00 C ATOM 331 NE1 TRP A 24 56.459 -13.418 -15.613 1.00 1.00 N ATOM 332 CE2 TRP A 24 55.239 -12.772 -15.559 1.00 1.00 C ATOM 333 CE3 TRP A 24 54.272 -11.028 -14.188 1.00 1.00 C ATOM 334 CZ2 TRP A 24 54.058 -12.874 -16.296 1.00 1.00 C ATOM 335 CZ3 TRP A 24 53.082 -11.128 -14.927 1.00 1.00 C ATOM 336 CH2 TRP A 24 52.975 -12.050 -15.978 1.00 1.00 C ATOM 0 H TRP A 24 58.410 -13.529 -12.571 1.00 1.00 H new ATOM 0 HA TRP A 24 57.522 -11.480 -10.664 1.00 1.00 H new ATOM 0 HB2 TRP A 24 56.779 -10.299 -12.625 1.00 1.00 H new ATOM 0 HB3 TRP A 24 58.350 -10.961 -13.033 1.00 1.00 H new ATOM 0 HD1 TRP A 24 58.340 -13.297 -14.488 1.00 1.00 H new ATOM 0 HE1 TRP A 24 56.689 -14.151 -16.284 1.00 1.00 H new ATOM 0 HE3 TRP A 24 54.344 -10.316 -13.379 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 53.982 -13.584 -17.106 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 52.244 -10.491 -14.684 1.00 1.00 H new ATOM 0 HH2 TRP A 24 52.056 -12.123 -16.541 1.00 1.00 H new ATOM 347 N LYS A 25 55.723 -13.937 -11.741 1.00 1.00 N ATOM 348 CA LYS A 25 54.430 -14.601 -11.620 1.00 1.00 C ATOM 349 C LYS A 25 54.384 -15.462 -10.361 1.00 1.00 C ATOM 350 O LYS A 25 53.480 -16.280 -10.191 1.00 1.00 O ATOM 351 CB LYS A 25 54.170 -15.477 -12.849 1.00 1.00 C ATOM 352 CG LYS A 25 55.486 -16.081 -13.347 1.00 1.00 C ATOM 353 CD LYS A 25 56.157 -16.859 -12.213 1.00 1.00 C ATOM 354 CE LYS A 25 57.229 -17.784 -12.793 1.00 1.00 C ATOM 355 NZ LYS A 25 56.654 -19.144 -12.999 1.00 1.00 N ATOM 0 H LYS A 25 56.463 -14.515 -12.139 1.00 1.00 H new ATOM 0 HA LYS A 25 53.658 -13.835 -11.552 1.00 1.00 H new ATOM 0 HB2 LYS A 25 53.467 -16.271 -12.598 1.00 1.00 H new ATOM 0 HB3 LYS A 25 53.711 -14.883 -13.639 1.00 1.00 H new ATOM 0 HG2 LYS A 25 55.297 -16.742 -14.193 1.00 1.00 H new ATOM 0 HG3 LYS A 25 56.149 -15.292 -13.701 1.00 1.00 H new ATOM 0 HD2 LYS A 25 56.605 -16.168 -11.499 1.00 1.00 H new ATOM 0 HD3 LYS A 25 55.414 -17.442 -11.669 1.00 1.00 H new ATOM 0 HE2 LYS A 25 57.595 -17.385 -13.739 1.00 1.00 H new ATOM 0 HE3 LYS A 25 58.083 -17.837 -12.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 57.383 -19.773 -13.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 56.325 -19.523 -12.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 55.853 -19.086 -13.659 1.00 1.00 H new ATOM 369 N SER A 26 55.365 -15.271 -9.484 1.00 1.00 N ATOM 370 CA SER A 26 55.427 -16.036 -8.243 1.00 1.00 C ATOM 371 C SER A 26 55.762 -15.123 -7.067 1.00 1.00 C ATOM 372 O SER A 26 54.957 -14.956 -6.151 1.00 1.00 O ATOM 373 CB SER A 26 56.488 -17.131 -8.359 1.00 1.00 C ATOM 374 OG SER A 26 56.036 -18.128 -9.265 1.00 1.00 O ATOM 0 H SER A 26 56.122 -14.599 -9.608 1.00 1.00 H new ATOM 0 HA SER A 26 54.452 -16.491 -8.069 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.429 -16.706 -8.708 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.680 -17.572 -7.381 1.00 1.00 H new ATOM 0 HG SER A 26 56.714 -18.831 -9.343 1.00 1.00 H new ATOM 380 N SER A 27 56.953 -14.535 -7.102 1.00 1.00 N ATOM 381 CA SER A 27 57.383 -13.641 -6.032 1.00 1.00 C ATOM 382 C SER A 27 56.611 -12.327 -6.090 1.00 1.00 C ATOM 383 O SER A 27 56.981 -11.351 -5.439 1.00 1.00 O ATOM 384 CB SER A 27 58.881 -13.362 -6.156 1.00 1.00 C ATOM 385 OG SER A 27 59.091 -12.364 -7.146 1.00 1.00 O ATOM 0 H SER A 27 57.633 -14.659 -7.852 1.00 1.00 H new ATOM 0 HA SER A 27 57.182 -14.125 -5.076 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.282 -13.031 -5.198 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.412 -14.275 -6.425 1.00 1.00 H new ATOM 0 HG SER A 27 58.507 -12.537 -7.914 1.00 1.00 H new ATOM 391 N GLY A 28 55.537 -12.312 -6.874 1.00 1.00 N ATOM 392 CA GLY A 28 54.716 -11.114 -7.011 1.00 1.00 C ATOM 393 C GLY A 28 53.235 -11.457 -6.902 1.00 1.00 C ATOM 394 O GLY A 28 52.378 -10.703 -7.363 1.00 1.00 O ATOM 0 H GLY A 28 55.216 -13.111 -7.421 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.985 -10.393 -6.239 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.914 -10.640 -7.972 1.00 1.00 H new ATOM 398 N ALA A 29 52.940 -12.598 -6.290 1.00 1.00 N ATOM 399 CA ALA A 29 51.557 -13.032 -6.125 1.00 1.00 C ATOM 400 C ALA A 29 51.432 -13.982 -4.937 1.00 1.00 C ATOM 401 O ALA A 29 50.328 -14.370 -4.555 1.00 1.00 O ATOM 402 CB ALA A 29 51.076 -13.734 -7.395 1.00 1.00 C ATOM 0 H ALA A 29 53.635 -13.236 -5.902 1.00 1.00 H new ATOM 0 HA ALA A 29 50.939 -12.153 -5.940 1.00 1.00 H new ATOM 0 HB1 ALA A 29 50.043 -14.055 -7.264 1.00 1.00 H new ATOM 0 HB2 ALA A 29 51.138 -13.045 -8.237 1.00 1.00 H new ATOM 0 HB3 ALA A 29 51.704 -14.603 -7.590 1.00 1.00 H new ATOM 408 N LEU A 30 52.571 -14.350 -4.359 1.00 1.00 N ATOM 409 CA LEU A 30 52.578 -15.255 -3.215 1.00 1.00 C ATOM 410 C LEU A 30 52.809 -14.479 -1.923 1.00 1.00 C ATOM 411 O LEU A 30 52.405 -14.915 -0.845 1.00 1.00 O ATOM 412 CB LEU A 30 53.678 -16.305 -3.387 1.00 1.00 C ATOM 413 CG LEU A 30 53.077 -17.595 -3.950 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.186 -18.443 -4.576 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.409 -18.384 -2.821 1.00 1.00 C ATOM 0 H LEU A 30 53.494 -14.039 -4.661 1.00 1.00 H new ATOM 0 HA LEU A 30 51.609 -15.751 -3.160 1.00 1.00 H new ATOM 0 HB2 LEU A 30 54.451 -15.929 -4.058 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.157 -16.504 -2.428 1.00 1.00 H new ATOM 0 HG LEU A 30 52.335 -17.348 -4.709 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.759 -19.362 -4.977 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.662 -17.883 -5.381 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.928 -18.689 -3.817 1.00 1.00 H new ATOM 0 HD21 LEU A 30 51.981 -19.303 -3.223 1.00 1.00 H new ATOM 0 HD22 LEU A 30 53.151 -18.631 -2.061 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.619 -17.781 -2.374 1.00 1.00 H new ATOM 427 N ILE A 31 53.461 -13.325 -2.037 1.00 1.00 N ATOM 428 CA ILE A 31 53.738 -12.499 -0.870 1.00 1.00 C ATOM 429 C ILE A 31 52.645 -11.452 -0.660 1.00 1.00 C ATOM 430 O ILE A 31 52.218 -11.225 0.469 1.00 1.00 O ATOM 431 CB ILE A 31 55.098 -11.807 -1.013 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.934 -12.517 -2.086 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.838 -11.854 0.326 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.060 -14.011 -1.760 1.00 1.00 C ATOM 0 H ILE A 31 53.804 -12.945 -2.919 1.00 1.00 H new ATOM 0 HA ILE A 31 53.759 -13.154 0.001 1.00 1.00 H new ATOM 0 HB ILE A 31 54.943 -10.769 -1.308 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.468 -12.389 -3.063 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.924 -12.065 -2.143 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.805 -11.362 0.225 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.248 -11.342 1.086 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.988 -12.892 0.622 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.656 -14.502 -2.529 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.546 -14.132 -0.792 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.068 -14.461 -1.727 1.00 1.00 H new ATOM 446 N PRO A 32 52.183 -10.805 -1.700 1.00 1.00 N ATOM 447 CA PRO A 32 51.137 -9.763 -1.570 1.00 1.00 C ATOM 448 C PRO A 32 49.729 -10.352 -1.528 1.00 1.00 C ATOM 449 O PRO A 32 48.763 -9.702 -1.927 1.00 1.00 O ATOM 450 CB PRO A 32 51.341 -8.906 -2.815 1.00 1.00 C ATOM 451 CG PRO A 32 51.908 -9.828 -3.848 1.00 1.00 C ATOM 452 CD PRO A 32 52.587 -10.988 -3.106 1.00 1.00 C ATOM 0 HA PRO A 32 51.225 -9.203 -0.639 1.00 1.00 H new ATOM 0 HB2 PRO A 32 50.399 -8.472 -3.151 1.00 1.00 H new ATOM 0 HB3 PRO A 32 52.020 -8.077 -2.614 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.121 -10.200 -4.504 1.00 1.00 H new ATOM 0 HG3 PRO A 32 52.626 -9.303 -4.478 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.260 -11.953 -3.492 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.671 -10.951 -3.217 1.00 1.00 H new ATOM 460 N ALA A 33 49.625 -11.583 -1.036 1.00 1.00 N ATOM 461 CA ALA A 33 48.335 -12.258 -0.937 1.00 1.00 C ATOM 462 C ALA A 33 48.088 -12.721 0.495 1.00 1.00 C ATOM 463 O ALA A 33 47.043 -13.296 0.801 1.00 1.00 O ATOM 464 CB ALA A 33 48.303 -13.463 -1.877 1.00 1.00 C ATOM 0 H ALA A 33 50.416 -12.132 -0.700 1.00 1.00 H new ATOM 0 HA ALA A 33 47.552 -11.555 -1.223 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.337 -13.961 -1.797 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.455 -13.128 -2.903 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.095 -14.160 -1.602 1.00 1.00 H new ATOM 470 N ILE A 34 49.058 -12.468 1.366 1.00 1.00 N ATOM 471 CA ILE A 34 48.941 -12.863 2.765 1.00 1.00 C ATOM 472 C ILE A 34 49.689 -11.883 3.662 1.00 1.00 C ATOM 473 O ILE A 34 49.094 -11.227 4.517 1.00 1.00 O ATOM 474 CB ILE A 34 49.510 -14.268 2.956 1.00 1.00 C ATOM 475 CG1 ILE A 34 50.313 -14.663 1.715 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.365 -15.261 3.159 1.00 1.00 C ATOM 477 CD1 ILE A 34 51.041 -15.980 1.979 1.00 1.00 C ATOM 0 H ILE A 34 49.930 -11.994 1.130 1.00 1.00 H new ATOM 0 HA ILE A 34 47.886 -12.856 3.040 1.00 1.00 H new ATOM 0 HB ILE A 34 50.160 -14.281 3.831 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.649 -14.768 0.857 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.031 -13.881 1.469 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.772 -16.263 3.295 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.791 -14.979 4.042 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.714 -15.250 2.285 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.614 -16.263 1.096 1.00 1.00 H new ATOM 0 HD12 ILE A 34 51.717 -15.859 2.826 1.00 1.00 H new ATOM 0 HD13 ILE A 34 50.313 -16.759 2.204 1.00 1.00 H new ATOM 489 N TYR A 35 50.999 -11.789 3.459 1.00 1.00 N ATOM 490 CA TYR A 35 51.828 -10.888 4.250 1.00 1.00 C ATOM 491 C TYR A 35 51.131 -9.543 4.439 1.00 1.00 C ATOM 492 O TYR A 35 51.375 -8.839 5.419 1.00 1.00 O ATOM 493 CB TYR A 35 53.180 -10.695 3.558 1.00 1.00 C ATOM 494 CG TYR A 35 53.472 -9.225 3.380 1.00 1.00 C ATOM 495 CD1 TYR A 35 53.784 -8.432 4.491 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.438 -8.657 2.101 1.00 1.00 C ATOM 497 CE1 TYR A 35 54.063 -7.070 4.323 1.00 1.00 C ATOM 498 CE2 TYR A 35 53.716 -7.295 1.933 1.00 1.00 C ATOM 499 CZ TYR A 35 54.028 -6.502 3.043 1.00 1.00 C ATOM 500 OH TYR A 35 54.303 -5.160 2.877 1.00 1.00 O ATOM 0 H TYR A 35 51.508 -12.324 2.755 1.00 1.00 H new ATOM 0 HA TYR A 35 51.989 -11.328 5.234 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.969 -11.160 4.149 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.174 -11.192 2.588 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.809 -8.871 5.478 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.197 -9.269 1.244 1.00 1.00 H new ATOM 0 HE1 TYR A 35 54.305 -6.458 5.179 1.00 1.00 H new ATOM 0 HE2 TYR A 35 53.690 -6.856 0.946 1.00 1.00 H new ATOM 0 HH TYR A 35 54.237 -4.928 1.927 1.00 1.00 H new ATOM 510 N MET A 36 50.252 -9.198 3.504 1.00 1.00 N ATOM 511 CA MET A 36 49.520 -7.938 3.590 1.00 1.00 C ATOM 512 C MET A 36 48.435 -8.025 4.657 1.00 1.00 C ATOM 513 O MET A 36 48.393 -7.214 5.582 1.00 1.00 O ATOM 514 CB MET A 36 48.879 -7.609 2.241 1.00 1.00 C ATOM 515 CG MET A 36 49.794 -8.081 1.112 1.00 1.00 C ATOM 516 SD MET A 36 49.516 -7.062 -0.358 1.00 1.00 S ATOM 517 CE MET A 36 50.996 -6.032 -0.202 1.00 1.00 C ATOM 0 H MET A 36 50.030 -9.766 2.686 1.00 1.00 H new ATOM 0 HA MET A 36 50.223 -7.150 3.859 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.906 -8.094 2.161 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.708 -6.536 2.160 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.837 -8.013 1.422 1.00 1.00 H new ATOM 0 HG3 MET A 36 49.597 -9.128 0.884 1.00 1.00 H new ATOM 0 HE1 MET A 36 51.020 -5.304 -1.013 1.00 1.00 H new ATOM 0 HE2 MET A 36 50.977 -5.510 0.755 1.00 1.00 H new ATOM 0 HE3 MET A 36 51.884 -6.661 -0.254 1.00 1.00 H new ATOM 527 N LEU A 37 47.558 -9.015 4.523 1.00 1.00 N ATOM 528 CA LEU A 37 46.477 -9.201 5.482 1.00 1.00 C ATOM 529 C LEU A 37 47.013 -9.158 6.909 1.00 1.00 C ATOM 530 O LEU A 37 46.259 -8.947 7.861 1.00 1.00 O ATOM 531 CB LEU A 37 45.783 -10.542 5.236 1.00 1.00 C ATOM 532 CG LEU A 37 44.731 -10.380 4.138 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.401 -9.871 2.860 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.070 -11.732 3.863 1.00 1.00 C ATOM 0 H LEU A 37 47.575 -9.696 3.764 1.00 1.00 H new ATOM 0 HA LEU A 37 45.759 -8.392 5.351 1.00 1.00 H new ATOM 0 HB2 LEU A 37 46.516 -11.294 4.944 1.00 1.00 H new ATOM 0 HB3 LEU A 37 45.314 -10.894 6.155 1.00 1.00 H new ATOM 0 HG LEU A 37 43.975 -9.664 4.462 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.651 -9.756 2.077 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.873 -8.908 3.055 1.00 1.00 H new ATOM 0 HD13 LEU A 37 46.157 -10.586 2.536 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.320 -11.618 3.080 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.826 -12.447 3.539 1.00 1.00 H new ATOM 0 HD23 LEU A 37 43.593 -12.095 4.773 1.00 1.00 H new ATOM 546 N VAL A 38 48.318 -9.360 7.053 1.00 1.00 N ATOM 547 CA VAL A 38 48.944 -9.343 8.370 1.00 1.00 C ATOM 548 C VAL A 38 49.575 -7.981 8.646 1.00 1.00 C ATOM 549 O VAL A 38 49.359 -7.390 9.703 1.00 1.00 O ATOM 550 CB VAL A 38 50.015 -10.430 8.452 1.00 1.00 C ATOM 551 CG1 VAL A 38 50.268 -10.790 9.917 1.00 1.00 C ATOM 552 CG2 VAL A 38 49.537 -11.674 7.699 1.00 1.00 C ATOM 0 H VAL A 38 48.959 -9.536 6.280 1.00 1.00 H new ATOM 0 HA VAL A 38 48.176 -9.533 9.120 1.00 1.00 H new ATOM 0 HB VAL A 38 50.938 -10.063 8.003 1.00 1.00 H new ATOM 0 HG11 VAL A 38 51.032 -11.565 9.974 1.00 1.00 H new ATOM 0 HG12 VAL A 38 50.608 -9.905 10.456 1.00 1.00 H new ATOM 0 HG13 VAL A 38 49.345 -11.156 10.366 1.00 1.00 H new ATOM 0 HG21 VAL A 38 50.300 -12.450 7.757 1.00 1.00 H new ATOM 0 HG22 VAL A 38 48.614 -12.039 8.149 1.00 1.00 H new ATOM 0 HG23 VAL A 38 49.356 -11.420 6.655 1.00 1.00 H new ATOM 562 N PHE A 39 50.357 -7.492 7.689 1.00 1.00 N ATOM 563 CA PHE A 39 51.014 -6.199 7.840 1.00 1.00 C ATOM 564 C PHE A 39 50.024 -5.149 8.334 1.00 1.00 C ATOM 565 O PHE A 39 50.341 -4.349 9.215 1.00 1.00 O ATOM 566 CB PHE A 39 51.608 -5.755 6.502 1.00 1.00 C ATOM 567 CG PHE A 39 52.634 -4.673 6.741 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.872 -4.996 7.309 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.347 -3.347 6.395 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.823 -3.993 7.532 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.298 -2.344 6.616 1.00 1.00 C ATOM 572 CZ PHE A 39 54.536 -2.668 7.185 1.00 1.00 C ATOM 0 H PHE A 39 50.550 -7.967 6.807 1.00 1.00 H new ATOM 0 HA PHE A 39 51.813 -6.302 8.575 1.00 1.00 H new ATOM 0 HB2 PHE A 39 52.070 -6.604 5.997 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.819 -5.385 5.847 1.00 1.00 H new ATOM 0 HD1 PHE A 39 54.094 -6.019 7.575 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.392 -3.098 5.957 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.778 -4.242 7.972 1.00 1.00 H new ATOM 0 HE2 PHE A 39 53.077 -1.321 6.348 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.270 -1.894 7.356 1.00 1.00 H new ATOM 582 N LEU A 40 48.824 -5.159 7.762 1.00 1.00 N ATOM 583 CA LEU A 40 47.794 -4.202 8.152 1.00 1.00 C ATOM 584 C LEU A 40 46.775 -4.861 9.076 1.00 1.00 C ATOM 585 O LEU A 40 45.571 -4.808 8.826 1.00 1.00 O ATOM 586 CB LEU A 40 47.085 -3.661 6.909 1.00 1.00 C ATOM 587 CG LEU A 40 48.009 -2.686 6.179 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.940 -2.946 4.673 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.563 -1.250 6.467 1.00 1.00 C ATOM 0 H LEU A 40 48.542 -5.814 7.032 1.00 1.00 H new ATOM 0 HA LEU A 40 48.271 -3.379 8.683 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.810 -4.483 6.248 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.161 -3.158 7.194 1.00 1.00 H new ATOM 0 HG LEU A 40 49.033 -2.828 6.526 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.599 -2.251 4.153 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.255 -3.969 4.465 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.917 -2.804 4.326 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.221 -0.554 5.947 1.00 1.00 H new ATOM 0 HD22 LEU A 40 46.539 -1.110 6.120 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.611 -1.062 7.540 1.00 1.00 H new ATOM 601 N LEU A 41 47.267 -5.481 10.143 1.00 1.00 N ATOM 602 CA LEU A 41 46.390 -6.149 11.098 1.00 1.00 C ATOM 603 C LEU A 41 47.156 -6.491 12.373 1.00 1.00 C ATOM 604 O LEU A 41 46.834 -6.001 13.455 1.00 1.00 O ATOM 605 CB LEU A 41 45.816 -7.426 10.471 1.00 1.00 C ATOM 606 CG LEU A 41 45.091 -8.266 11.531 1.00 1.00 C ATOM 607 CD1 LEU A 41 44.113 -7.389 12.316 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.315 -9.389 10.839 1.00 1.00 C ATOM 0 H LEU A 41 48.260 -5.535 10.368 1.00 1.00 H new ATOM 0 HA LEU A 41 45.571 -5.477 11.354 1.00 1.00 H new ATOM 0 HB2 LEU A 41 45.125 -7.166 9.669 1.00 1.00 H new ATOM 0 HB3 LEU A 41 46.619 -8.010 10.022 1.00 1.00 H new ATOM 0 HG LEU A 41 45.825 -8.687 12.218 1.00 1.00 H new ATOM 0 HD11 LEU A 41 43.603 -7.994 13.066 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.660 -6.585 12.809 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.378 -6.962 11.633 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.798 -9.989 11.588 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.586 -8.958 10.153 1.00 1.00 H new ATOM 0 HD23 LEU A 41 45.008 -10.021 10.283 1.00 1.00 H new ATOM 620 N GLY A 42 48.174 -7.336 12.235 1.00 1.00 N ATOM 621 CA GLY A 42 48.981 -7.738 13.381 1.00 1.00 C ATOM 622 C GLY A 42 49.520 -6.519 14.122 1.00 1.00 C ATOM 623 O GLY A 42 49.977 -6.625 15.260 1.00 1.00 O ATOM 0 H GLY A 42 48.457 -7.752 11.348 1.00 1.00 H new ATOM 0 HA2 GLY A 42 48.380 -8.344 14.059 1.00 1.00 H new ATOM 0 HA3 GLY A 42 49.810 -8.361 13.046 1.00 1.00 H new ATOM 627 N THR A 43 49.463 -5.362 13.470 1.00 1.00 N ATOM 628 CA THR A 43 49.950 -4.130 14.078 1.00 1.00 C ATOM 629 C THR A 43 49.008 -2.971 13.768 1.00 1.00 C ATOM 630 O THR A 43 48.084 -2.688 14.531 1.00 1.00 O ATOM 631 CB THR A 43 51.351 -3.807 13.554 1.00 1.00 C ATOM 632 OG1 THR A 43 51.531 -2.397 13.527 1.00 1.00 O ATOM 633 CG2 THR A 43 51.513 -4.370 12.142 1.00 1.00 C ATOM 0 H THR A 43 49.087 -5.252 12.528 1.00 1.00 H new ATOM 0 HA THR A 43 49.991 -4.271 15.158 1.00 1.00 H new ATOM 0 HB THR A 43 52.097 -4.257 14.209 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.428 -2.188 13.193 1.00 1.00 H new ATOM 0 HG21 THR A 43 52.511 -4.139 11.771 1.00 1.00 H new ATOM 0 HG22 THR A 43 51.375 -5.451 12.163 1.00 1.00 H new ATOM 0 HG23 THR A 43 50.768 -3.922 11.484 1.00 1.00 H new ATOM 641 N THR A 44 49.250 -2.302 12.644 1.00 1.00 N ATOM 642 CA THR A 44 48.416 -1.174 12.243 1.00 1.00 C ATOM 643 C THR A 44 48.536 -0.035 13.249 1.00 1.00 C ATOM 644 O THR A 44 47.947 1.031 13.067 1.00 1.00 O ATOM 645 CB THR A 44 46.954 -1.613 12.141 1.00 1.00 C ATOM 646 OG1 THR A 44 46.344 -1.521 13.421 1.00 1.00 O ATOM 647 CG2 THR A 44 46.882 -3.057 11.642 1.00 1.00 C ATOM 0 H THR A 44 50.010 -2.519 12.000 1.00 1.00 H new ATOM 0 HA THR A 44 48.758 -0.823 11.269 1.00 1.00 H new ATOM 0 HB THR A 44 46.429 -0.965 11.439 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.685 -2.236 13.998 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.839 -3.366 11.571 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.349 -3.126 10.659 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.407 -3.710 12.340 1.00 1.00 H new ATOM 655 N GLY A 45 49.300 -0.267 14.311 1.00 1.00 N ATOM 656 CA GLY A 45 49.487 0.748 15.341 1.00 1.00 C ATOM 657 C GLY A 45 48.348 0.711 16.352 1.00 1.00 C ATOM 658 O GLY A 45 48.007 1.728 16.956 1.00 1.00 O ATOM 0 H GLY A 45 49.796 -1.142 14.481 1.00 1.00 H new ATOM 0 HA2 GLY A 45 50.437 0.584 15.851 1.00 1.00 H new ATOM 0 HA3 GLY A 45 49.538 1.735 14.880 1.00 1.00 H new ATOM 662 N ASN A 46 47.763 -0.469 16.531 1.00 1.00 N ATOM 663 CA ASN A 46 46.661 -0.629 17.472 1.00 1.00 C ATOM 664 C ASN A 46 46.778 -1.960 18.208 1.00 1.00 C ATOM 665 O ASN A 46 45.874 -2.353 18.946 1.00 1.00 O ATOM 666 CB ASN A 46 45.326 -0.570 16.728 1.00 1.00 C ATOM 667 CG ASN A 46 44.753 -1.975 16.573 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.360 -2.834 15.801 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 43.728 -2.299 17.172 1.00 1.00 N flip ATOM 0 H ASN A 46 48.031 -1.322 16.041 1.00 1.00 H new ATOM 0 HA ASN A 46 46.706 0.182 18.199 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.624 0.060 17.274 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.466 -0.115 15.747 1.00 1.00 H new ATOM 0 HD21 ASN A 46 43.255 -1.626 17.775 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.351 -3.241 17.066 1.00 1.00 H new ATOM 676 N GLY A 47 47.898 -2.648 17.998 1.00 1.00 N ATOM 677 CA GLY A 47 48.130 -3.936 18.644 1.00 1.00 C ATOM 678 C GLY A 47 49.485 -3.960 19.343 1.00 1.00 C ATOM 679 O GLY A 47 49.990 -5.025 19.700 1.00 1.00 O ATOM 0 H GLY A 47 48.655 -2.337 17.389 1.00 1.00 H new ATOM 0 HA2 GLY A 47 47.339 -4.131 19.369 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.086 -4.733 17.901 1.00 1.00 H new ATOM 683 N LEU A 48 50.068 -2.782 19.538 1.00 1.00 N ATOM 684 CA LEU A 48 51.366 -2.683 20.197 1.00 1.00 C ATOM 685 C LEU A 48 51.530 -1.321 20.863 1.00 1.00 C ATOM 686 O LEU A 48 52.641 -0.918 21.206 1.00 1.00 O ATOM 687 CB LEU A 48 52.488 -2.894 19.178 1.00 1.00 C ATOM 688 CG LEU A 48 52.185 -2.093 17.911 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.450 -1.369 17.448 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.712 -3.044 16.809 1.00 1.00 C ATOM 0 H LEU A 48 49.667 -1.889 19.252 1.00 1.00 H new ATOM 0 HA LEU A 48 51.421 -3.456 20.963 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.442 -2.578 19.601 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.581 -3.953 18.938 1.00 1.00 H new ATOM 0 HG LEU A 48 51.405 -1.362 18.123 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.233 -0.799 16.545 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.789 -0.692 18.232 1.00 1.00 H new ATOM 0 HD13 LEU A 48 54.231 -2.100 17.237 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.496 -2.475 15.905 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.493 -3.775 16.599 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.810 -3.561 17.137 1.00 1.00 H new ATOM 702 N VAL A 49 50.417 -0.616 21.045 1.00 1.00 N ATOM 703 CA VAL A 49 50.452 0.699 21.672 1.00 1.00 C ATOM 704 C VAL A 49 49.218 0.908 22.540 1.00 1.00 C ATOM 705 O VAL A 49 49.306 1.449 23.642 1.00 1.00 O ATOM 706 CB VAL A 49 50.512 1.788 20.601 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.971 2.118 20.287 1.00 1.00 C ATOM 708 CG2 VAL A 49 49.818 1.289 19.332 1.00 1.00 C ATOM 0 H VAL A 49 49.487 -0.931 20.769 1.00 1.00 H new ATOM 0 HA VAL A 49 51.341 0.758 22.300 1.00 1.00 H new ATOM 0 HB VAL A 49 50.009 2.684 20.965 1.00 1.00 H new ATOM 0 HG11 VAL A 49 52.012 2.895 19.523 1.00 1.00 H new ATOM 0 HG12 VAL A 49 52.467 2.472 21.191 1.00 1.00 H new ATOM 0 HG13 VAL A 49 52.476 1.223 19.922 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.859 2.064 18.566 1.00 1.00 H new ATOM 0 HG22 VAL A 49 50.322 0.393 18.970 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.777 1.054 19.555 1.00 1.00 H new ATOM 718 N LEU A 50 48.069 0.477 22.034 1.00 1.00 N ATOM 719 CA LEU A 50 46.820 0.621 22.770 1.00 1.00 C ATOM 720 C LEU A 50 46.523 -0.647 23.563 1.00 1.00 C ATOM 721 O LEU A 50 46.070 -0.585 24.706 1.00 1.00 O ATOM 722 CB LEU A 50 45.672 0.909 21.797 1.00 1.00 C ATOM 723 CG LEU A 50 44.384 1.214 22.572 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.549 2.501 23.389 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.230 1.390 21.583 1.00 1.00 C ATOM 0 H LEU A 50 47.976 0.028 21.123 1.00 1.00 H new ATOM 0 HA LEU A 50 46.917 1.454 23.466 1.00 1.00 H new ATOM 0 HB2 LEU A 50 45.930 1.754 21.159 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.517 0.051 21.142 1.00 1.00 H new ATOM 0 HG LEU A 50 44.173 0.387 23.250 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.628 2.706 23.934 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.370 2.381 24.096 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.767 3.332 22.718 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.312 1.607 22.130 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.453 2.215 20.907 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.101 0.473 21.007 1.00 1.00 H new ATOM 737 N TRP A 51 46.785 -1.797 22.951 1.00 1.00 N ATOM 738 CA TRP A 51 46.546 -3.073 23.611 1.00 1.00 C ATOM 739 C TRP A 51 47.601 -3.318 24.685 1.00 1.00 C ATOM 740 O TRP A 51 47.337 -3.977 25.691 1.00 1.00 O ATOM 741 CB TRP A 51 46.585 -4.208 22.586 1.00 1.00 C ATOM 742 CG TRP A 51 47.752 -5.098 22.870 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.048 -4.768 22.671 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.753 -6.455 23.402 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.844 -5.835 23.046 1.00 1.00 N ATOM 746 CE2 TRP A 51 49.091 -6.898 23.504 1.00 1.00 C ATOM 747 CE3 TRP A 51 46.731 -7.335 23.802 1.00 1.00 C ATOM 748 CZ2 TRP A 51 49.407 -8.169 23.985 1.00 1.00 C ATOM 749 CZ3 TRP A 51 47.044 -8.616 24.286 1.00 1.00 C ATOM 750 CH2 TRP A 51 48.380 -9.032 24.377 1.00 1.00 C ATOM 0 H TRP A 51 47.160 -1.871 22.005 1.00 1.00 H new ATOM 0 HA TRP A 51 45.562 -3.044 24.079 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.659 -4.781 22.627 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.663 -3.800 21.578 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.404 -3.825 22.283 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.863 -5.837 22.991 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.699 -7.024 23.737 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 50.438 -8.484 24.054 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 46.252 -9.284 24.590 1.00 1.00 H new ATOM 0 HH2 TRP A 51 48.615 -10.018 24.750 1.00 1.00 H new ATOM 761 N THR A 52 48.796 -2.782 24.461 1.00 1.00 N ATOM 762 CA THR A 52 49.887 -2.946 25.413 1.00 1.00 C ATOM 763 C THR A 52 49.768 -1.930 26.544 1.00 1.00 C ATOM 764 O THR A 52 50.773 -1.460 27.077 1.00 1.00 O ATOM 765 CB THR A 52 51.232 -2.767 24.704 1.00 1.00 C ATOM 766 OG1 THR A 52 52.286 -2.934 25.643 1.00 1.00 O ATOM 767 CG2 THR A 52 51.306 -1.369 24.092 1.00 1.00 C ATOM 0 H THR A 52 49.032 -2.234 23.634 1.00 1.00 H new ATOM 0 HA THR A 52 49.829 -3.950 25.833 1.00 1.00 H new ATOM 0 HB THR A 52 51.329 -3.511 23.913 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.142 -2.337 26.406 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.264 -1.243 23.588 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.497 -1.244 23.372 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.209 -0.622 24.879 1.00 1.00 H new ATOM 775 N VAL A 53 48.532 -1.598 26.904 1.00 1.00 N ATOM 776 CA VAL A 53 48.283 -0.638 27.974 1.00 1.00 C ATOM 777 C VAL A 53 47.292 -1.213 28.980 1.00 1.00 C ATOM 778 O VAL A 53 47.030 -0.614 30.022 1.00 1.00 O ATOM 779 CB VAL A 53 47.730 0.664 27.391 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.955 1.807 28.384 1.00 1.00 C ATOM 781 CG2 VAL A 53 48.451 0.981 26.080 1.00 1.00 C ATOM 0 H VAL A 53 47.690 -1.978 26.472 1.00 1.00 H new ATOM 0 HA VAL A 53 49.224 -0.432 28.483 1.00 1.00 H new ATOM 0 HB VAL A 53 46.662 0.552 27.203 1.00 1.00 H new ATOM 0 HG11 VAL A 53 47.561 2.734 27.967 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.442 1.583 29.319 1.00 1.00 H new ATOM 0 HG13 VAL A 53 49.023 1.920 28.573 1.00 1.00 H new ATOM 0 HG21 VAL A 53 48.058 1.908 25.664 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.519 1.092 26.270 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.291 0.169 25.371 1.00 1.00 H new ATOM 791 N PHE A 54 46.746 -2.382 28.658 1.00 1.00 N ATOM 792 CA PHE A 54 45.785 -3.036 29.538 1.00 1.00 C ATOM 793 C PHE A 54 46.079 -4.529 29.633 1.00 1.00 C ATOM 794 O PHE A 54 45.263 -5.300 30.138 1.00 1.00 O ATOM 795 CB PHE A 54 44.365 -2.824 29.010 1.00 1.00 C ATOM 796 CG PHE A 54 43.526 -2.156 30.073 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.856 -2.933 31.027 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.418 -0.761 30.105 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.078 -2.313 32.012 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.640 -0.141 31.091 1.00 1.00 C ATOM 801 CZ PHE A 54 41.970 -0.917 32.044 1.00 1.00 C ATOM 0 H PHE A 54 46.951 -2.893 27.799 1.00 1.00 H new ATOM 0 HA PHE A 54 45.871 -2.596 30.532 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.388 -2.209 28.110 1.00 1.00 H new ATOM 0 HB3 PHE A 54 43.923 -3.780 28.731 1.00 1.00 H new ATOM 0 HD1 PHE A 54 42.940 -4.009 31.003 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.935 -0.162 29.369 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.561 -2.911 32.747 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.557 0.936 31.116 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.370 -0.439 32.804 1.00 1.00 H new ATOM 811 N ARG A 55 47.249 -4.928 29.138 1.00 1.00 N ATOM 812 CA ARG A 55 47.649 -6.332 29.167 1.00 1.00 C ATOM 813 C ARG A 55 48.993 -6.498 29.868 1.00 1.00 C ATOM 814 O ARG A 55 49.329 -7.585 30.338 1.00 1.00 O ATOM 815 CB ARG A 55 47.716 -6.883 27.742 1.00 1.00 C ATOM 816 CG ARG A 55 48.943 -6.316 27.004 1.00 1.00 C ATOM 817 CD ARG A 55 50.035 -7.386 26.875 1.00 1.00 C ATOM 818 NE ARG A 55 50.738 -7.566 28.140 1.00 1.00 N ATOM 819 CZ ARG A 55 51.418 -8.678 28.394 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.472 -9.629 27.502 1.00 1.00 N ATOM 821 NH2 ARG A 55 52.032 -8.821 29.537 1.00 1.00 N ATOM 0 H ARG A 55 47.933 -4.302 28.714 1.00 1.00 H new ATOM 0 HA ARG A 55 46.904 -6.895 29.730 1.00 1.00 H new ATOM 0 HB2 ARG A 55 47.770 -7.971 27.768 1.00 1.00 H new ATOM 0 HB3 ARG A 55 46.806 -6.622 27.201 1.00 1.00 H new ATOM 0 HG2 ARG A 55 48.650 -5.966 26.014 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.333 -5.453 27.544 1.00 1.00 H new ATOM 0 HD2 ARG A 55 49.589 -8.331 26.564 1.00 1.00 H new ATOM 0 HD3 ARG A 55 50.743 -7.097 26.098 1.00 1.00 H new ATOM 0 HE ARG A 55 50.707 -6.826 28.841 1.00 1.00 H new ATOM 0 HH11 ARG A 55 50.992 -9.518 26.609 1.00 1.00 H new ATOM 0 HH12 ARG A 55 51.995 -10.483 27.698 1.00 1.00 H new ATOM 0 HH21 ARG A 55 51.989 -8.079 30.235 1.00 1.00 H new ATOM 0 HH22 ARG A 55 52.554 -9.675 29.732 1.00 1.00 H new ATOM 835 N LYS A 56 49.757 -5.411 29.935 1.00 1.00 N ATOM 836 CA LYS A 56 51.064 -5.445 30.583 1.00 1.00 C ATOM 837 C LYS A 56 50.994 -4.803 31.966 1.00 1.00 C ATOM 838 O LYS A 56 51.890 -4.986 32.791 1.00 1.00 O ATOM 839 CB LYS A 56 52.091 -4.702 29.727 1.00 1.00 C ATOM 840 CG LYS A 56 51.722 -3.219 29.657 1.00 1.00 C ATOM 841 CD LYS A 56 52.662 -2.415 30.557 1.00 1.00 C ATOM 842 CE LYS A 56 52.157 -0.975 30.664 1.00 1.00 C ATOM 843 NZ LYS A 56 51.671 -0.722 32.050 1.00 1.00 N ATOM 0 H LYS A 56 49.496 -4.503 29.552 1.00 1.00 H new ATOM 0 HA LYS A 56 51.367 -6.486 30.692 1.00 1.00 H new ATOM 0 HB2 LYS A 56 53.088 -4.820 30.152 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.120 -5.128 28.724 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.794 -2.864 28.629 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.689 -3.075 29.972 1.00 1.00 H new ATOM 0 HD2 LYS A 56 52.712 -2.869 31.547 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.673 -2.428 30.149 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.957 -0.278 30.415 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.352 -0.806 29.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 51.327 0.257 32.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 50.896 -1.379 32.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 52.450 -0.867 32.723 1.00 1.00 H new ATOM 857 N LYS A 57 49.928 -4.049 32.212 1.00 1.00 N ATOM 858 CA LYS A 57 49.755 -3.385 33.499 1.00 1.00 C ATOM 859 C LYS A 57 49.896 -4.384 34.642 1.00 1.00 C ATOM 860 O LYS A 57 50.359 -4.037 35.729 1.00 1.00 O ATOM 861 CB LYS A 57 48.376 -2.725 33.567 1.00 1.00 C ATOM 862 CG LYS A 57 48.249 -1.684 32.453 1.00 1.00 C ATOM 863 CD LYS A 57 48.746 -0.329 32.961 1.00 1.00 C ATOM 864 CE LYS A 57 47.599 0.411 33.650 1.00 1.00 C ATOM 865 NZ LYS A 57 48.153 1.385 34.632 1.00 1.00 N ATOM 0 H LYS A 57 49.176 -3.883 31.543 1.00 1.00 H new ATOM 0 HA LYS A 57 50.529 -2.624 33.598 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.596 -3.479 33.464 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.236 -2.251 34.539 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.829 -1.993 31.584 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.211 -1.605 32.131 1.00 1.00 H new ATOM 0 HD2 LYS A 57 49.572 -0.471 33.658 1.00 1.00 H new ATOM 0 HD3 LYS A 57 49.128 0.264 32.131 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.991 0.931 32.910 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.946 -0.300 34.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 47.372 1.888 35.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 48.715 0.878 35.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 48.759 2.070 34.137 1.00 1.00 H new ATOM 879 N GLY A 58 49.491 -5.625 34.389 1.00 1.00 N ATOM 880 CA GLY A 58 49.574 -6.668 35.404 1.00 1.00 C ATOM 881 C GLY A 58 50.128 -7.957 34.816 1.00 1.00 C ATOM 882 O GLY A 58 50.569 -8.845 35.545 1.00 1.00 O ATOM 0 H GLY A 58 49.105 -5.931 33.496 1.00 1.00 H new ATOM 0 HA2 GLY A 58 50.211 -6.334 36.223 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.585 -6.851 35.824 1.00 1.00 H new ATOM 886 N HIS A 59 50.098 -8.051 33.494 1.00 1.00 N ATOM 887 CA HIS A 59 50.598 -9.236 32.807 1.00 1.00 C ATOM 888 C HIS A 59 49.743 -10.452 33.147 1.00 1.00 C ATOM 889 O HIS A 59 49.026 -10.978 32.296 1.00 1.00 O ATOM 890 CB HIS A 59 52.050 -9.500 33.211 1.00 1.00 C ATOM 891 CG HIS A 59 52.789 -8.194 33.311 1.00 1.00 C ATOM 892 ND1 HIS A 59 53.017 -7.565 34.524 1.00 1.00 N ATOM 893 CD2 HIS A 59 53.360 -7.389 32.357 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.698 -6.432 34.271 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.934 -6.277 32.965 1.00 1.00 N ATOM 0 H HIS A 59 49.735 -7.325 32.877 1.00 1.00 H new ATOM 0 HA HIS A 59 50.547 -9.060 31.733 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.083 -10.023 34.167 1.00 1.00 H new ATOM 0 HB3 HIS A 59 52.531 -10.147 32.477 1.00 1.00 H new ATOM 0 HD1 HIS A 59 52.723 -7.899 35.441 1.00 1.00 H new ATOM 0 HD2 HIS A 59 53.363 -7.589 31.296 1.00 1.00 H new ATOM 0 HE1 HIS A 59 54.015 -5.733 35.031 1.00 1.00 H new ATOM 903 N HIS A 60 49.824 -10.896 34.398 1.00 1.00 N ATOM 904 CA HIS A 60 49.054 -12.051 34.840 1.00 1.00 C ATOM 905 C HIS A 60 48.556 -11.848 36.268 1.00 1.00 C ATOM 906 O HIS A 60 48.247 -12.810 36.971 1.00 1.00 O ATOM 907 CB HIS A 60 49.918 -13.313 34.773 1.00 1.00 C ATOM 908 CG HIS A 60 49.977 -13.805 33.353 1.00 1.00 C ATOM 909 ND1 HIS A 60 50.629 -13.329 32.244 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 49.296 -14.938 32.935 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 50.362 -14.151 31.153 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 49.553 -15.105 31.625 1.00 1.00 N flip ATOM 0 H HIS A 60 50.411 -10.476 35.118 1.00 1.00 H new ATOM 0 HA HIS A 60 48.194 -12.165 34.180 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.923 -13.099 35.137 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.503 -14.086 35.420 1.00 1.00 H new ATOM 0 HD2 HIS A 60 48.673 -15.571 33.549 1.00 1.00 H new ATOM 0 HE1 HIS A 60 50.729 -14.042 30.143 1.00 1.00 H new ATOM 0 HE2 HIS A 60 49.176 -15.867 31.061 1.00 1.00 H new ATOM 920 N HIS A 61 48.480 -10.590 36.689 1.00 1.00 N ATOM 921 CA HIS A 61 48.017 -10.272 38.036 1.00 1.00 C ATOM 922 C HIS A 61 48.792 -11.079 39.073 1.00 1.00 C ATOM 923 O HIS A 61 48.518 -12.260 39.286 1.00 1.00 O ATOM 924 CB HIS A 61 46.524 -10.577 38.161 1.00 1.00 C ATOM 925 CG HIS A 61 45.851 -10.346 36.836 1.00 1.00 C ATOM 926 ND1 HIS A 61 45.339 -11.386 36.076 1.00 1.00 N ATOM 927 CD2 HIS A 61 45.598 -9.200 36.122 1.00 1.00 C ATOM 928 CE1 HIS A 61 44.808 -10.851 34.961 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.940 -9.522 34.939 1.00 1.00 N ATOM 0 H HIS A 61 48.731 -9.779 36.123 1.00 1.00 H new ATOM 0 HA HIS A 61 48.187 -9.211 38.217 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.379 -11.609 38.479 1.00 1.00 H new ATOM 0 HB3 HIS A 61 46.075 -9.942 38.924 1.00 1.00 H new ATOM 0 HD2 HIS A 61 45.869 -8.201 36.432 1.00 1.00 H new ATOM 0 HE1 HIS A 61 44.333 -11.426 34.180 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.626 -8.881 34.211 1.00 1.00 H new ATOM 937 N HIS A 62 49.760 -10.433 39.715 1.00 1.00 N ATOM 938 CA HIS A 62 50.568 -11.100 40.729 1.00 1.00 C ATOM 939 C HIS A 62 50.934 -12.512 40.280 1.00 1.00 C ATOM 940 O HIS A 62 50.201 -13.465 40.541 1.00 1.00 O ATOM 941 CB HIS A 62 49.799 -11.166 42.050 1.00 1.00 C ATOM 942 CG HIS A 62 50.765 -11.378 43.183 1.00 1.00 C ATOM 943 ND1 HIS A 62 50.585 -10.794 44.427 1.00 1.00 N ATOM 944 CD2 HIS A 62 51.925 -12.107 43.276 1.00 1.00 C ATOM 945 CE1 HIS A 62 51.611 -11.178 45.208 1.00 1.00 C ATOM 946 NE2 HIS A 62 52.458 -11.979 44.555 1.00 1.00 N ATOM 0 H HIS A 62 50.003 -9.456 39.553 1.00 1.00 H new ATOM 0 HA HIS A 62 51.484 -10.527 40.871 1.00 1.00 H new ATOM 0 HB2 HIS A 62 49.239 -10.244 42.203 1.00 1.00 H new ATOM 0 HB3 HIS A 62 49.073 -11.979 42.020 1.00 1.00 H new ATOM 0 HD2 HIS A 62 52.358 -12.691 42.477 1.00 1.00 H new ATOM 0 HE1 HIS A 62 51.735 -10.876 46.237 1.00 1.00 H new ATOM 0 HE2 HIS A 62 53.312 -12.405 44.916 1.00 1.00 H new ATOM 954 N HIS A 63 52.071 -12.637 39.604 1.00 1.00 N ATOM 955 CA HIS A 63 52.523 -13.937 39.124 1.00 1.00 C ATOM 956 C HIS A 63 52.917 -14.833 40.293 1.00 1.00 C ATOM 957 O HIS A 63 54.102 -15.045 40.553 1.00 1.00 O ATOM 958 CB HIS A 63 53.721 -13.760 38.187 1.00 1.00 C ATOM 959 CG HIS A 63 54.554 -12.597 38.654 1.00 1.00 C ATOM 960 ND1 HIS A 63 54.778 -12.071 39.902 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 55.289 -11.816 37.776 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 55.638 -10.980 39.803 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 55.915 -10.871 38.501 1.00 1.00 N flip ATOM 0 H HIS A 63 52.692 -11.860 39.378 1.00 1.00 H new ATOM 0 HA HIS A 63 51.703 -14.408 38.581 1.00 1.00 H new ATOM 0 HB2 HIS A 63 54.322 -14.669 38.172 1.00 1.00 H new ATOM 0 HB3 HIS A 63 53.377 -13.589 37.167 1.00 1.00 H new ATOM 0 HD2 HIS A 63 55.348 -11.943 36.705 1.00 1.00 H new ATOM 0 HE1 HIS A 63 56.002 -10.356 40.606 1.00 1.00 H new ATOM 0 HE2 HIS A 63 56.527 -10.158 38.104 1.00 1.00 H new ATOM 971 N HIS A 64 51.917 -15.355 40.995 1.00 1.00 N ATOM 972 CA HIS A 64 52.172 -16.228 42.136 1.00 1.00 C ATOM 973 C HIS A 64 52.509 -17.640 41.667 1.00 1.00 C ATOM 974 O HIS A 64 53.085 -18.380 42.447 1.00 1.00 O ATOM 975 CB HIS A 64 50.942 -16.271 43.045 1.00 1.00 C ATOM 976 CG HIS A 64 51.243 -17.112 44.255 1.00 1.00 C ATOM 977 ND1 HIS A 64 50.344 -18.044 44.749 1.00 1.00 N ATOM 978 CD2 HIS A 64 52.338 -17.172 45.081 1.00 1.00 C ATOM 979 CE1 HIS A 64 50.909 -18.621 45.827 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.124 -18.126 46.072 1.00 1.00 N ATOM 981 OXT HIS A 64 52.187 -17.959 40.534 1.00 1.00 O ATOM 0 H HIS A 64 50.930 -15.191 40.797 1.00 1.00 H new ATOM 0 HA HIS A 64 53.021 -15.830 42.691 1.00 1.00 H new ATOM 0 HB2 HIS A 64 50.666 -15.261 43.350 1.00 1.00 H new ATOM 0 HB3 HIS A 64 50.091 -16.684 42.504 1.00 1.00 H new ATOM 0 HD2 HIS A 64 53.229 -16.571 44.978 1.00 1.00 H new ATOM 0 HE1 HIS A 64 50.437 -19.390 46.420 1.00 1.00 H new ATOM 0 HE2 HIS A 64 52.760 -18.390 46.825 1.00 1.00 H new TER 989 HIS A 64