USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 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 26 SER OG : rot -72:sc= -0.282 USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0.793 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.1! C(o=-6.1!,f=-5.3!) 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=-0.00636 X(o=-0.0064,f=-0.13) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 45:sc= 0.0511 USER MOD Single : A 19 CYS SG : rot 57:sc= -0.241 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 169:sc= -0.0888 (180deg=-0.337) USER MOD Single : A 43 THR OG1 : rot 90:sc= 0.748 USER MOD Single : A 44 THR OG1 : rot -136:sc= -1.49 USER MOD Single : A 46 ASN : amide:sc= -3.94 K(o=-3.9,f=-2.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 134:sc= -3.27! (180deg=-5.69!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.25) USER MOD Single : A 60 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.0063) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 63 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.013) USER MOD Single : A 64 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.911 -46.951 25.086 1.00 1.00 N ATOM 2 CA MET A 1 8.352 -47.998 24.122 1.00 1.00 C ATOM 3 C MET A 1 9.854 -48.217 24.266 1.00 1.00 C ATOM 4 O MET A 1 10.656 -47.474 23.699 1.00 1.00 O ATOM 5 CB MET A 1 8.024 -47.548 22.697 1.00 1.00 C ATOM 6 CG MET A 1 8.296 -48.696 21.723 1.00 1.00 C ATOM 7 SD MET A 1 9.396 -48.121 20.406 1.00 1.00 S ATOM 8 CE MET A 1 8.113 -47.735 19.190 1.00 1.00 C ATOM 0 H1 MET A 1 6.887 -46.800 24.990 1.00 1.00 H new ATOM 0 H2 MET A 1 8.126 -47.259 26.056 1.00 1.00 H new ATOM 0 H3 MET A 1 8.412 -46.062 24.886 1.00 1.00 H new ATOM 0 HA MET A 1 7.832 -48.933 24.330 1.00 1.00 H new ATOM 0 HB2 MET A 1 6.980 -47.242 22.632 1.00 1.00 H new ATOM 0 HB3 MET A 1 8.627 -46.680 22.430 1.00 1.00 H new ATOM 0 HG2 MET A 1 8.750 -49.535 22.250 1.00 1.00 H new ATOM 0 HG3 MET A 1 7.359 -49.056 21.298 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.577 -47.356 18.279 1.00 1.00 H new ATOM 0 HE2 MET A 1 7.546 -48.637 18.960 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.442 -46.979 19.597 1.00 1.00 H new ATOM 20 N GLU A 2 10.228 -49.241 25.025 1.00 1.00 N ATOM 21 CA GLU A 2 11.638 -49.548 25.237 1.00 1.00 C ATOM 22 C GLU A 2 12.118 -50.584 24.224 1.00 1.00 C ATOM 23 O GLU A 2 12.744 -51.579 24.590 1.00 1.00 O ATOM 24 CB GLU A 2 11.851 -50.080 26.655 1.00 1.00 C ATOM 25 CG GLU A 2 11.291 -49.078 27.666 1.00 1.00 C ATOM 26 CD GLU A 2 12.163 -49.056 28.917 1.00 1.00 C ATOM 27 OE1 GLU A 2 13.367 -48.918 28.774 1.00 1.00 O ATOM 28 OE2 GLU A 2 11.614 -49.180 30.000 1.00 1.00 O ATOM 0 H GLU A 2 9.580 -49.869 25.501 1.00 1.00 H new ATOM 0 HA GLU A 2 12.214 -48.632 25.104 1.00 1.00 H new ATOM 0 HB2 GLU A 2 11.357 -51.044 26.771 1.00 1.00 H new ATOM 0 HB3 GLU A 2 12.913 -50.242 26.838 1.00 1.00 H new ATOM 0 HG2 GLU A 2 11.253 -48.083 27.222 1.00 1.00 H new ATOM 0 HG3 GLU A 2 10.269 -49.348 27.930 1.00 1.00 H new ATOM 35 N GLU A 3 11.821 -50.343 22.952 1.00 1.00 N ATOM 36 CA GLU A 3 12.227 -51.263 21.896 1.00 1.00 C ATOM 37 C GLU A 3 12.707 -50.492 20.670 1.00 1.00 C ATOM 38 O GLU A 3 12.024 -50.446 19.647 1.00 1.00 O ATOM 39 CB GLU A 3 11.053 -52.164 21.508 1.00 1.00 C ATOM 40 CG GLU A 3 11.010 -53.376 22.439 1.00 1.00 C ATOM 41 CD GLU A 3 9.597 -53.947 22.487 1.00 1.00 C ATOM 42 OE1 GLU A 3 8.913 -53.869 21.480 1.00 1.00 O ATOM 43 OE2 GLU A 3 9.218 -54.451 23.531 1.00 1.00 O ATOM 0 H GLU A 3 11.305 -49.525 22.629 1.00 1.00 H new ATOM 0 HA GLU A 3 13.047 -51.877 22.269 1.00 1.00 H new ATOM 0 HB2 GLU A 3 10.117 -51.608 21.574 1.00 1.00 H new ATOM 0 HB3 GLU A 3 11.158 -52.491 20.473 1.00 1.00 H new ATOM 0 HG2 GLU A 3 11.707 -54.138 22.090 1.00 1.00 H new ATOM 0 HG3 GLU A 3 11.329 -53.087 23.441 1.00 1.00 H new ATOM 50 N GLY A 4 13.886 -49.888 20.781 1.00 1.00 N ATOM 51 CA GLY A 4 14.448 -49.122 19.676 1.00 1.00 C ATOM 52 C GLY A 4 14.297 -47.625 19.919 1.00 1.00 C ATOM 53 O GLY A 4 14.115 -46.849 18.980 1.00 1.00 O ATOM 0 H GLY A 4 14.467 -49.914 21.619 1.00 1.00 H new ATOM 0 HA2 GLY A 4 15.502 -49.370 19.556 1.00 1.00 H new ATOM 0 HA3 GLY A 4 13.948 -49.396 18.747 1.00 1.00 H new ATOM 57 N GLY A 5 14.374 -47.225 21.183 1.00 1.00 N ATOM 58 CA GLY A 5 14.244 -45.817 21.538 1.00 1.00 C ATOM 59 C GLY A 5 15.347 -44.988 20.891 1.00 1.00 C ATOM 60 O GLY A 5 15.739 -45.240 19.751 1.00 1.00 O ATOM 0 H GLY A 5 14.525 -47.851 21.974 1.00 1.00 H new ATOM 0 HA2 GLY A 5 13.270 -45.446 21.219 1.00 1.00 H new ATOM 0 HA3 GLY A 5 14.288 -45.706 22.621 1.00 1.00 H new ATOM 64 N ASP A 6 15.845 -43.998 21.625 1.00 1.00 N ATOM 65 CA ASP A 6 16.904 -43.137 21.111 1.00 1.00 C ATOM 66 C ASP A 6 18.270 -43.639 21.565 1.00 1.00 C ATOM 67 O ASP A 6 18.713 -43.341 22.675 1.00 1.00 O ATOM 68 CB ASP A 6 16.695 -41.703 21.600 1.00 1.00 C ATOM 69 CG ASP A 6 16.222 -40.822 20.449 1.00 1.00 C ATOM 70 OD1 ASP A 6 17.068 -40.280 19.757 1.00 1.00 O ATOM 71 OD2 ASP A 6 15.020 -40.703 20.276 1.00 1.00 O ATOM 0 H ASP A 6 15.535 -43.773 22.570 1.00 1.00 H new ATOM 0 HA ASP A 6 16.867 -43.157 20.022 1.00 1.00 H new ATOM 0 HB2 ASP A 6 15.961 -41.688 22.405 1.00 1.00 H new ATOM 0 HB3 ASP A 6 17.626 -41.311 22.010 1.00 1.00 H new ATOM 76 N PHE A 7 18.933 -44.401 20.702 1.00 1.00 N ATOM 77 CA PHE A 7 20.249 -44.939 21.026 1.00 1.00 C ATOM 78 C PHE A 7 21.045 -45.212 19.754 1.00 1.00 C ATOM 79 O PHE A 7 21.699 -46.248 19.630 1.00 1.00 O ATOM 80 CB PHE A 7 20.101 -46.235 21.826 1.00 1.00 C ATOM 81 CG PHE A 7 21.270 -46.381 22.770 1.00 1.00 C ATOM 82 CD1 PHE A 7 21.262 -45.720 24.003 1.00 1.00 C ATOM 83 CD2 PHE A 7 22.364 -47.179 22.411 1.00 1.00 C ATOM 84 CE1 PHE A 7 22.346 -45.856 24.878 1.00 1.00 C ATOM 85 CE2 PHE A 7 23.449 -47.315 23.285 1.00 1.00 C ATOM 86 CZ PHE A 7 23.440 -46.653 24.520 1.00 1.00 C ATOM 0 H PHE A 7 18.584 -44.659 19.779 1.00 1.00 H new ATOM 0 HA PHE A 7 20.784 -44.202 21.624 1.00 1.00 H new ATOM 0 HB2 PHE A 7 19.166 -46.224 22.387 1.00 1.00 H new ATOM 0 HB3 PHE A 7 20.057 -47.089 21.150 1.00 1.00 H new ATOM 0 HD1 PHE A 7 20.419 -45.104 24.280 1.00 1.00 H new ATOM 0 HD2 PHE A 7 22.370 -47.690 21.459 1.00 1.00 H new ATOM 0 HE1 PHE A 7 22.339 -45.346 25.830 1.00 1.00 H new ATOM 0 HE2 PHE A 7 24.293 -47.930 23.008 1.00 1.00 H new ATOM 0 HZ PHE A 7 24.276 -46.758 25.195 1.00 1.00 H new ATOM 96 N ASP A 8 20.984 -44.278 18.812 1.00 1.00 N ATOM 97 CA ASP A 8 21.703 -44.428 17.552 1.00 1.00 C ATOM 98 C ASP A 8 22.127 -43.067 17.012 1.00 1.00 C ATOM 99 O ASP A 8 21.850 -42.731 15.860 1.00 1.00 O ATOM 100 CB ASP A 8 20.815 -45.133 16.525 1.00 1.00 C ATOM 101 CG ASP A 8 20.713 -46.618 16.856 1.00 1.00 C ATOM 102 OD1 ASP A 8 21.676 -47.327 16.612 1.00 1.00 O ATOM 103 OD2 ASP A 8 19.674 -47.025 17.348 1.00 1.00 O ATOM 0 H ASP A 8 20.448 -43.414 18.895 1.00 1.00 H new ATOM 0 HA ASP A 8 22.595 -45.028 17.733 1.00 1.00 H new ATOM 0 HB2 ASP A 8 19.822 -44.684 16.521 1.00 1.00 H new ATOM 0 HB3 ASP A 8 21.228 -45.002 15.525 1.00 1.00 H new ATOM 108 N ASN A 9 22.803 -42.287 17.849 1.00 1.00 N ATOM 109 CA ASN A 9 23.260 -40.964 17.446 1.00 1.00 C ATOM 110 C ASN A 9 22.162 -40.227 16.693 1.00 1.00 C ATOM 111 O ASN A 9 22.428 -39.478 15.754 1.00 1.00 O ATOM 112 CB ASN A 9 24.498 -41.089 16.561 1.00 1.00 C ATOM 113 CG ASN A 9 24.099 -41.568 15.169 1.00 1.00 C ATOM 114 OD1 ASN A 9 23.789 -40.756 14.297 1.00 1.00 O ATOM 115 ND2 ASN A 9 24.087 -42.847 14.908 1.00 1.00 N ATOM 0 H ASN A 9 23.045 -42.547 18.805 1.00 1.00 H new ATOM 0 HA ASN A 9 23.512 -40.396 18.342 1.00 1.00 H new ATOM 0 HB2 ASN A 9 25.004 -40.126 16.492 1.00 1.00 H new ATOM 0 HB3 ASN A 9 25.204 -41.789 17.007 1.00 1.00 H new ATOM 0 HD21 ASN A 9 23.820 -43.176 13.980 1.00 1.00 H new ATOM 0 HD22 ASN A 9 24.344 -43.518 15.632 1.00 1.00 H new ATOM 122 N TYR A 10 20.927 -40.450 17.118 1.00 1.00 N ATOM 123 CA TYR A 10 19.782 -39.807 16.484 1.00 1.00 C ATOM 124 C TYR A 10 19.937 -38.290 16.510 1.00 1.00 C ATOM 125 O TYR A 10 19.864 -37.631 15.473 1.00 1.00 O ATOM 126 CB TYR A 10 18.494 -40.203 17.209 1.00 1.00 C ATOM 127 CG TYR A 10 17.409 -40.476 16.193 1.00 1.00 C ATOM 128 CD1 TYR A 10 17.185 -39.571 15.149 1.00 1.00 C ATOM 129 CD2 TYR A 10 16.629 -41.633 16.295 1.00 1.00 C ATOM 130 CE1 TYR A 10 16.180 -39.823 14.208 1.00 1.00 C ATOM 131 CE2 TYR A 10 15.624 -41.886 15.354 1.00 1.00 C ATOM 132 CZ TYR A 10 15.400 -40.980 14.310 1.00 1.00 C ATOM 133 OH TYR A 10 14.410 -41.229 13.381 1.00 1.00 O ATOM 0 H TYR A 10 20.691 -41.068 17.895 1.00 1.00 H new ATOM 0 HA TYR A 10 19.731 -40.138 15.447 1.00 1.00 H new ATOM 0 HB2 TYR A 10 18.666 -41.089 17.821 1.00 1.00 H new ATOM 0 HB3 TYR A 10 18.183 -39.405 17.883 1.00 1.00 H new ATOM 0 HD1 TYR A 10 17.788 -38.678 15.070 1.00 1.00 H new ATOM 0 HD2 TYR A 10 16.802 -42.331 17.100 1.00 1.00 H new ATOM 0 HE1 TYR A 10 16.007 -39.124 13.403 1.00 1.00 H new ATOM 0 HE2 TYR A 10 15.022 -42.779 15.433 1.00 1.00 H new ATOM 0 HH TYR A 10 13.964 -42.075 13.597 1.00 1.00 H new ATOM 143 N TYR A 11 20.153 -37.742 17.702 1.00 1.00 N ATOM 144 CA TYR A 11 20.318 -36.301 17.850 1.00 1.00 C ATOM 145 C TYR A 11 21.477 -35.804 16.991 1.00 1.00 C ATOM 146 O TYR A 11 22.380 -36.567 16.650 1.00 1.00 O ATOM 147 CB TYR A 11 20.580 -35.953 19.316 1.00 1.00 C ATOM 148 CG TYR A 11 19.264 -35.780 20.036 1.00 1.00 C ATOM 149 CD1 TYR A 11 18.612 -34.540 20.016 1.00 1.00 C ATOM 150 CD2 TYR A 11 18.696 -36.859 20.724 1.00 1.00 C ATOM 151 CE1 TYR A 11 17.393 -34.380 20.683 1.00 1.00 C ATOM 152 CE2 TYR A 11 17.476 -36.698 21.392 1.00 1.00 C ATOM 153 CZ TYR A 11 16.824 -35.459 21.371 1.00 1.00 C ATOM 154 OH TYR A 11 15.622 -35.301 22.029 1.00 1.00 O ATOM 0 H TYR A 11 20.217 -38.269 18.573 1.00 1.00 H new ATOM 0 HA TYR A 11 19.401 -35.813 17.520 1.00 1.00 H new ATOM 0 HB2 TYR A 11 21.164 -36.742 19.789 1.00 1.00 H new ATOM 0 HB3 TYR A 11 21.167 -35.037 19.384 1.00 1.00 H new ATOM 0 HD1 TYR A 11 19.051 -33.708 19.486 1.00 1.00 H new ATOM 0 HD2 TYR A 11 19.199 -37.815 20.739 1.00 1.00 H new ATOM 0 HE1 TYR A 11 16.890 -33.424 20.667 1.00 1.00 H new ATOM 0 HE2 TYR A 11 17.038 -37.530 21.924 1.00 1.00 H new ATOM 0 HH TYR A 11 15.368 -36.147 22.454 1.00 1.00 H new ATOM 164 N GLY A 12 21.443 -34.521 16.646 1.00 1.00 N ATOM 165 CA GLY A 12 22.496 -33.933 15.826 1.00 1.00 C ATOM 166 C GLY A 12 22.886 -32.554 16.347 1.00 1.00 C ATOM 167 O GLY A 12 24.025 -32.335 16.758 1.00 1.00 O ATOM 0 H GLY A 12 20.704 -33.873 16.919 1.00 1.00 H new ATOM 0 HA2 GLY A 12 23.369 -34.586 15.825 1.00 1.00 H new ATOM 0 HA3 GLY A 12 22.156 -33.853 14.793 1.00 1.00 H new ATOM 171 N ALA A 13 21.933 -31.628 16.327 1.00 1.00 N ATOM 172 CA ALA A 13 22.188 -30.273 16.800 1.00 1.00 C ATOM 173 C ALA A 13 22.378 -30.262 18.313 1.00 1.00 C ATOM 174 O ALA A 13 21.510 -29.800 19.054 1.00 1.00 O ATOM 175 CB ALA A 13 21.020 -29.361 16.424 1.00 1.00 C ATOM 0 H ALA A 13 20.984 -31.789 15.991 1.00 1.00 H new ATOM 0 HA ALA A 13 23.100 -29.908 16.328 1.00 1.00 H new ATOM 0 HB1 ALA A 13 21.218 -28.350 16.781 1.00 1.00 H new ATOM 0 HB2 ALA A 13 20.904 -29.347 15.340 1.00 1.00 H new ATOM 0 HB3 ALA A 13 20.104 -29.735 16.882 1.00 1.00 H new ATOM 181 N ASP A 14 23.520 -30.771 18.765 1.00 1.00 N ATOM 182 CA ASP A 14 23.815 -30.814 20.193 1.00 1.00 C ATOM 183 C ASP A 14 25.259 -30.400 20.455 1.00 1.00 C ATOM 184 O ASP A 14 26.007 -31.114 21.123 1.00 1.00 O ATOM 185 CB ASP A 14 23.581 -32.227 20.733 1.00 1.00 C ATOM 186 CG ASP A 14 23.505 -32.196 22.255 1.00 1.00 C ATOM 187 OD1 ASP A 14 22.682 -31.459 22.773 1.00 1.00 O ATOM 188 OD2 ASP A 14 24.271 -32.909 22.881 1.00 1.00 O ATOM 0 H ASP A 14 24.252 -31.157 18.168 1.00 1.00 H new ATOM 0 HA ASP A 14 23.151 -30.116 20.703 1.00 1.00 H new ATOM 0 HB2 ASP A 14 22.657 -32.634 20.322 1.00 1.00 H new ATOM 0 HB3 ASP A 14 24.389 -32.886 20.414 1.00 1.00 H new ATOM 193 N ASN A 15 25.642 -29.242 19.926 1.00 1.00 N ATOM 194 CA ASN A 15 26.999 -28.740 20.110 1.00 1.00 C ATOM 195 C ASN A 15 26.977 -27.253 20.446 1.00 1.00 C ATOM 196 O ASN A 15 27.029 -26.882 21.619 1.00 1.00 O ATOM 197 CB ASN A 15 27.817 -28.967 18.837 1.00 1.00 C ATOM 198 CG ASN A 15 28.686 -30.210 18.989 1.00 1.00 C ATOM 199 OD1 ASN A 15 29.482 -30.302 19.923 1.00 1.00 O ATOM 200 ND2 ASN A 15 28.580 -31.180 18.121 1.00 1.00 N ATOM 0 H ASN A 15 25.037 -28.638 19.370 1.00 1.00 H new ATOM 0 HA ASN A 15 27.459 -29.281 20.937 1.00 1.00 H new ATOM 0 HB2 ASN A 15 27.150 -29.082 17.982 1.00 1.00 H new ATOM 0 HB3 ASN A 15 28.444 -28.098 18.638 1.00 1.00 H new ATOM 0 HD21 ASN A 15 29.157 -32.015 18.217 1.00 1.00 H new ATOM 0 HD22 ASN A 15 27.920 -31.102 17.347 1.00 1.00 H new ATOM 207 N GLN A 16 26.897 -26.422 19.401 1.00 1.00 N ATOM 208 CA GLN A 16 26.862 -24.960 19.546 1.00 1.00 C ATOM 209 C GLN A 16 27.447 -24.502 20.877 1.00 1.00 C ATOM 210 O GLN A 16 26.834 -23.714 21.600 1.00 1.00 O ATOM 211 CB GLN A 16 25.425 -24.450 19.407 1.00 1.00 C ATOM 212 CG GLN A 16 24.604 -24.828 20.644 1.00 1.00 C ATOM 213 CD GLN A 16 23.230 -25.332 20.218 1.00 1.00 C ATOM 214 OE1 GLN A 16 22.410 -24.561 19.720 1.00 1.00 O ATOM 215 NE2 GLN A 16 22.928 -26.592 20.381 1.00 1.00 N ATOM 0 H GLN A 16 26.855 -26.741 18.433 1.00 1.00 H new ATOM 0 HA GLN A 16 27.479 -24.540 18.751 1.00 1.00 H new ATOM 0 HB2 GLN A 16 25.427 -23.367 19.280 1.00 1.00 H new ATOM 0 HB3 GLN A 16 24.966 -24.874 18.514 1.00 1.00 H new ATOM 0 HG2 GLN A 16 25.123 -25.598 21.215 1.00 1.00 H new ATOM 0 HG3 GLN A 16 24.497 -23.963 21.299 1.00 1.00 H new ATOM 0 HE21 GLN A 16 23.608 -27.230 20.794 1.00 1.00 H new ATOM 0 HE22 GLN A 16 22.012 -26.938 20.095 1.00 1.00 H new ATOM 224 N SER A 17 28.633 -25.003 21.195 1.00 1.00 N ATOM 225 CA SER A 17 29.297 -24.643 22.442 1.00 1.00 C ATOM 226 C SER A 17 30.078 -23.343 22.279 1.00 1.00 C ATOM 227 O SER A 17 31.295 -23.357 22.094 1.00 1.00 O ATOM 228 CB SER A 17 30.249 -25.761 22.868 1.00 1.00 C ATOM 229 OG SER A 17 29.530 -26.725 23.627 1.00 1.00 O ATOM 0 H SER A 17 29.154 -25.657 20.610 1.00 1.00 H new ATOM 0 HA SER A 17 28.535 -24.502 23.209 1.00 1.00 H new ATOM 0 HB2 SER A 17 30.694 -26.230 21.990 1.00 1.00 H new ATOM 0 HB3 SER A 17 31.068 -25.352 23.460 1.00 1.00 H new ATOM 0 HG SER A 17 28.678 -26.920 23.184 1.00 1.00 H new ATOM 235 N GLU A 18 29.370 -22.221 22.348 1.00 1.00 N ATOM 236 CA GLU A 18 30.008 -20.916 22.208 1.00 1.00 C ATOM 237 C GLU A 18 31.022 -20.936 21.069 1.00 1.00 C ATOM 238 O GLU A 18 32.176 -21.321 21.258 1.00 1.00 O ATOM 239 CB GLU A 18 30.709 -20.536 23.512 1.00 1.00 C ATOM 240 CG GLU A 18 31.018 -19.038 23.510 1.00 1.00 C ATOM 241 CD GLU A 18 32.153 -18.737 24.482 1.00 1.00 C ATOM 242 OE1 GLU A 18 33.159 -19.424 24.418 1.00 1.00 O ATOM 243 OE2 GLU A 18 31.998 -17.828 25.280 1.00 1.00 O ATOM 0 H GLU A 18 28.362 -22.188 22.499 1.00 1.00 H new ATOM 0 HA GLU A 18 29.239 -20.178 21.981 1.00 1.00 H new ATOM 0 HB2 GLU A 18 30.076 -20.786 24.363 1.00 1.00 H new ATOM 0 HB3 GLU A 18 31.631 -21.108 23.621 1.00 1.00 H new ATOM 0 HG2 GLU A 18 31.294 -18.717 22.506 1.00 1.00 H new ATOM 0 HG3 GLU A 18 30.128 -18.475 23.792 1.00 1.00 H new ATOM 250 N CYS A 19 30.585 -20.517 19.886 1.00 1.00 N ATOM 251 CA CYS A 19 31.464 -20.491 18.722 1.00 1.00 C ATOM 252 C CYS A 19 31.124 -19.308 17.822 1.00 1.00 C ATOM 253 O CYS A 19 30.724 -19.485 16.671 1.00 1.00 O ATOM 254 CB CYS A 19 31.324 -21.793 17.932 1.00 1.00 C ATOM 255 SG CYS A 19 29.582 -22.071 17.529 1.00 1.00 S ATOM 0 H CYS A 19 29.634 -20.193 19.708 1.00 1.00 H new ATOM 0 HA CYS A 19 32.492 -20.386 19.068 1.00 1.00 H new ATOM 0 HB2 CYS A 19 31.916 -21.742 17.018 1.00 1.00 H new ATOM 0 HB3 CYS A 19 31.711 -22.628 18.516 1.00 1.00 H new ATOM 0 HG CYS A 19 29.122 -21.052 16.866 1.00 1.00 H new ATOM 261 N GLU A 20 31.285 -18.100 18.353 1.00 1.00 N ATOM 262 CA GLU A 20 30.991 -16.894 17.589 1.00 1.00 C ATOM 263 C GLU A 20 31.421 -15.651 18.361 1.00 1.00 C ATOM 264 O GLU A 20 31.831 -14.652 17.770 1.00 1.00 O ATOM 265 CB GLU A 20 29.493 -16.817 17.288 1.00 1.00 C ATOM 266 CG GLU A 20 28.709 -16.785 18.601 1.00 1.00 C ATOM 267 CD GLU A 20 28.250 -15.362 18.899 1.00 1.00 C ATOM 268 OE1 GLU A 20 27.166 -15.007 18.466 1.00 1.00 O ATOM 269 OE2 GLU A 20 28.989 -14.647 19.556 1.00 1.00 O ATOM 0 H GLU A 20 31.615 -17.931 19.303 1.00 1.00 H new ATOM 0 HA GLU A 20 31.548 -16.937 16.653 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.275 -15.925 16.700 1.00 1.00 H new ATOM 0 HB3 GLU A 20 29.187 -17.676 16.690 1.00 1.00 H new ATOM 0 HG2 GLU A 20 27.846 -17.448 18.535 1.00 1.00 H new ATOM 0 HG3 GLU A 20 29.333 -17.153 19.416 1.00 1.00 H new ATOM 276 N TYR A 21 31.323 -15.720 19.685 1.00 1.00 N ATOM 277 CA TYR A 21 31.704 -14.594 20.529 1.00 1.00 C ATOM 278 C TYR A 21 33.203 -14.332 20.428 1.00 1.00 C ATOM 279 O TYR A 21 33.738 -13.461 21.114 1.00 1.00 O ATOM 280 CB TYR A 21 31.331 -14.882 21.984 1.00 1.00 C ATOM 281 CG TYR A 21 32.584 -15.139 22.784 1.00 1.00 C ATOM 282 CD1 TYR A 21 33.272 -16.350 22.636 1.00 1.00 C ATOM 283 CD2 TYR A 21 33.059 -14.168 23.674 1.00 1.00 C ATOM 284 CE1 TYR A 21 34.435 -16.589 23.379 1.00 1.00 C ATOM 285 CE2 TYR A 21 34.222 -14.407 24.416 1.00 1.00 C ATOM 286 CZ TYR A 21 34.911 -15.618 24.268 1.00 1.00 C ATOM 287 OH TYR A 21 36.057 -15.853 24.999 1.00 1.00 O ATOM 0 H TYR A 21 30.986 -16.537 20.193 1.00 1.00 H new ATOM 0 HA TYR A 21 31.168 -13.709 20.186 1.00 1.00 H new ATOM 0 HB2 TYR A 21 30.785 -14.037 22.405 1.00 1.00 H new ATOM 0 HB3 TYR A 21 30.670 -15.747 22.037 1.00 1.00 H new ATOM 0 HD1 TYR A 21 32.906 -17.099 21.949 1.00 1.00 H new ATOM 0 HD2 TYR A 21 32.528 -13.234 23.788 1.00 1.00 H new ATOM 0 HE1 TYR A 21 34.965 -17.523 23.266 1.00 1.00 H new ATOM 0 HE2 TYR A 21 34.588 -13.658 25.102 1.00 1.00 H new ATOM 0 HH TYR A 21 36.248 -15.077 25.566 1.00 1.00 H new ATOM 297 N THR A 22 33.875 -15.091 19.569 1.00 1.00 N ATOM 298 CA THR A 22 35.313 -14.931 19.385 1.00 1.00 C ATOM 299 C THR A 22 35.601 -13.887 18.313 1.00 1.00 C ATOM 300 O THR A 22 36.525 -13.084 18.446 1.00 1.00 O ATOM 301 CB THR A 22 35.939 -16.267 18.980 1.00 1.00 C ATOM 302 OG1 THR A 22 35.381 -17.308 19.770 1.00 1.00 O ATOM 303 CG2 THR A 22 37.451 -16.212 19.200 1.00 1.00 C ATOM 0 H THR A 22 33.451 -15.818 18.993 1.00 1.00 H new ATOM 0 HA THR A 22 35.747 -14.598 20.328 1.00 1.00 H new ATOM 0 HB THR A 22 35.735 -16.460 17.927 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.780 -18.165 19.511 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.896 -17.164 18.911 1.00 1.00 H new ATOM 0 HG22 THR A 22 37.878 -15.413 18.594 1.00 1.00 H new ATOM 0 HG23 THR A 22 37.659 -16.019 20.252 1.00 1.00 H new ATOM 311 N ASP A 23 34.804 -13.903 17.251 1.00 1.00 N ATOM 312 CA ASP A 23 34.982 -12.951 16.161 1.00 1.00 C ATOM 313 C ASP A 23 34.402 -11.593 16.539 1.00 1.00 C ATOM 314 O ASP A 23 34.429 -10.652 15.746 1.00 1.00 O ATOM 315 CB ASP A 23 34.296 -13.470 14.896 1.00 1.00 C ATOM 316 CG ASP A 23 35.342 -13.982 13.911 1.00 1.00 C ATOM 317 OD1 ASP A 23 36.227 -14.703 14.340 1.00 1.00 O ATOM 318 OD2 ASP A 23 35.244 -13.642 12.743 1.00 1.00 O ATOM 0 H ASP A 23 34.034 -14.559 17.122 1.00 1.00 H new ATOM 0 HA ASP A 23 36.049 -12.837 15.972 1.00 1.00 H new ATOM 0 HB2 ASP A 23 33.601 -14.270 15.151 1.00 1.00 H new ATOM 0 HB3 ASP A 23 33.710 -12.674 14.437 1.00 1.00 H new ATOM 323 N TRP A 24 33.882 -11.501 17.758 1.00 1.00 N ATOM 324 CA TRP A 24 33.300 -10.254 18.243 1.00 1.00 C ATOM 325 C TRP A 24 34.334 -9.131 18.215 1.00 1.00 C ATOM 326 O TRP A 24 35.216 -9.108 17.356 1.00 1.00 O ATOM 327 CB TRP A 24 32.774 -10.441 19.670 1.00 1.00 C ATOM 328 CG TRP A 24 33.913 -10.461 20.648 1.00 1.00 C ATOM 329 CD1 TRP A 24 35.185 -10.822 20.364 1.00 1.00 C ATOM 330 CD2 TRP A 24 33.892 -10.113 22.062 1.00 1.00 C ATOM 331 NE1 TRP A 24 35.946 -10.717 21.514 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.193 -10.284 22.588 1.00 1.00 C ATOM 333 CE3 TRP A 24 32.878 -9.669 22.932 1.00 1.00 C ATOM 334 CZ2 TRP A 24 35.481 -10.024 23.928 1.00 1.00 C ATOM 335 CZ3 TRP A 24 33.164 -9.407 24.281 1.00 1.00 C ATOM 336 CH2 TRP A 24 34.463 -9.584 24.778 1.00 1.00 C ATOM 0 H TRP A 24 33.851 -12.271 18.426 1.00 1.00 H new ATOM 0 HA TRP A 24 32.473 -9.982 17.588 1.00 1.00 H new ATOM 0 HB2 TRP A 24 32.086 -9.633 19.920 1.00 1.00 H new ATOM 0 HB3 TRP A 24 32.211 -11.372 19.738 1.00 1.00 H new ATOM 0 HD1 TRP A 24 35.547 -11.140 19.398 1.00 1.00 H new ATOM 0 HE1 TRP A 24 36.942 -10.933 21.563 1.00 1.00 H new ATOM 0 HE3 TRP A 24 31.874 -9.529 22.559 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 36.483 -10.162 24.306 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 32.379 -9.067 24.940 1.00 1.00 H new ATOM 0 HH2 TRP A 24 34.677 -9.380 25.817 1.00 1.00 H new ATOM 347 N LYS A 25 34.221 -8.205 19.160 1.00 1.00 N ATOM 348 CA LYS A 25 35.155 -7.088 19.233 1.00 1.00 C ATOM 349 C LYS A 25 36.519 -7.565 19.719 1.00 1.00 C ATOM 350 O LYS A 25 37.163 -6.909 20.537 1.00 1.00 O ATOM 351 CB LYS A 25 34.618 -6.016 20.181 1.00 1.00 C ATOM 352 CG LYS A 25 34.337 -6.638 21.550 1.00 1.00 C ATOM 353 CD LYS A 25 35.097 -5.861 22.626 1.00 1.00 C ATOM 354 CE LYS A 25 34.830 -6.489 23.995 1.00 1.00 C ATOM 355 NZ LYS A 25 34.969 -5.449 25.054 1.00 1.00 N ATOM 0 H LYS A 25 33.499 -8.205 19.880 1.00 1.00 H new ATOM 0 HA LYS A 25 35.264 -6.664 18.235 1.00 1.00 H new ATOM 0 HB2 LYS A 25 35.342 -5.207 20.279 1.00 1.00 H new ATOM 0 HB3 LYS A 25 33.706 -5.580 19.774 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.267 -6.618 21.758 1.00 1.00 H new ATOM 0 HG3 LYS A 25 34.643 -7.684 21.556 1.00 1.00 H new ATOM 0 HD2 LYS A 25 36.166 -5.873 22.411 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.783 -4.817 22.626 1.00 1.00 H new ATOM 0 HE2 LYS A 25 33.828 -6.918 24.021 1.00 1.00 H new ATOM 0 HE3 LYS A 25 35.531 -7.304 24.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 34.788 -5.875 25.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 35.933 -5.059 25.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 34.283 -4.686 24.883 1.00 1.00 H new ATOM 369 N SER A 26 36.950 -8.711 19.208 1.00 1.00 N ATOM 370 CA SER A 26 38.238 -9.275 19.592 1.00 1.00 C ATOM 371 C SER A 26 39.378 -8.390 19.097 1.00 1.00 C ATOM 372 O SER A 26 40.170 -7.883 19.891 1.00 1.00 O ATOM 373 CB SER A 26 38.387 -10.680 19.006 1.00 1.00 C ATOM 374 OG SER A 26 39.734 -10.876 18.595 1.00 1.00 O ATOM 0 H SER A 26 36.429 -9.267 18.529 1.00 1.00 H new ATOM 0 HA SER A 26 38.282 -9.329 20.680 1.00 1.00 H new ATOM 0 HB2 SER A 26 38.109 -11.428 19.749 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.714 -10.806 18.158 1.00 1.00 H new ATOM 0 HG SER A 26 39.910 -10.348 17.788 1.00 1.00 H new ATOM 380 N SER A 27 39.451 -8.213 17.780 1.00 1.00 N ATOM 381 CA SER A 27 40.497 -7.388 17.181 1.00 1.00 C ATOM 382 C SER A 27 39.887 -6.309 16.291 1.00 1.00 C ATOM 383 O SER A 27 40.544 -5.323 15.958 1.00 1.00 O ATOM 384 CB SER A 27 41.438 -8.262 16.351 1.00 1.00 C ATOM 385 OG SER A 27 41.243 -9.626 16.702 1.00 1.00 O ATOM 0 H SER A 27 38.802 -8.627 17.111 1.00 1.00 H new ATOM 0 HA SER A 27 41.057 -6.907 17.983 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.245 -8.117 15.288 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.474 -7.973 16.529 1.00 1.00 H new ATOM 0 HG SER A 27 41.844 -10.190 16.171 1.00 1.00 H new ATOM 391 N GLY A 28 38.628 -6.501 15.910 1.00 1.00 N ATOM 392 CA GLY A 28 37.943 -5.535 15.059 1.00 1.00 C ATOM 393 C GLY A 28 38.150 -4.115 15.575 1.00 1.00 C ATOM 394 O GLY A 28 38.065 -3.151 14.815 1.00 1.00 O ATOM 0 H GLY A 28 38.065 -7.310 16.174 1.00 1.00 H new ATOM 0 HA2 GLY A 28 38.317 -5.614 14.038 1.00 1.00 H new ATOM 0 HA3 GLY A 28 36.878 -5.763 15.027 1.00 1.00 H new ATOM 398 N ALA A 29 38.423 -3.995 16.869 1.00 1.00 N ATOM 399 CA ALA A 29 38.642 -2.687 17.476 1.00 1.00 C ATOM 400 C ALA A 29 39.792 -2.747 18.476 1.00 1.00 C ATOM 401 O ALA A 29 39.574 -2.741 19.688 1.00 1.00 O ATOM 402 CB ALA A 29 37.370 -2.221 18.186 1.00 1.00 C ATOM 0 H ALA A 29 38.498 -4.781 17.514 1.00 1.00 H new ATOM 0 HA ALA A 29 38.897 -1.979 16.687 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.542 -1.244 18.637 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.556 -2.150 17.465 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.104 -2.937 18.964 1.00 1.00 H new ATOM 408 N LEU A 30 41.015 -2.802 17.960 1.00 1.00 N ATOM 409 CA LEU A 30 42.192 -2.862 18.816 1.00 1.00 C ATOM 410 C LEU A 30 42.226 -1.667 19.764 1.00 1.00 C ATOM 411 O LEU A 30 41.895 -1.788 20.944 1.00 1.00 O ATOM 412 CB LEU A 30 43.459 -2.871 17.958 1.00 1.00 C ATOM 413 CG LEU A 30 43.567 -4.208 17.223 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.264 -3.996 15.878 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.381 -5.189 18.069 1.00 1.00 C ATOM 0 H LEU A 30 41.216 -2.806 16.960 1.00 1.00 H new ATOM 0 HA LEU A 30 42.145 -3.778 19.406 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.431 -2.051 17.241 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.337 -2.717 18.585 1.00 1.00 H new ATOM 0 HG LEU A 30 42.569 -4.612 17.055 1.00 1.00 H new ATOM 0 HD11 LEU A 30 44.341 -4.949 15.354 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.686 -3.296 15.275 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.262 -3.592 16.045 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.459 -6.142 17.546 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.379 -4.784 18.236 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.886 -5.340 19.028 1.00 1.00 H new ATOM 427 N ILE A 31 42.626 -0.513 19.241 1.00 1.00 N ATOM 428 CA ILE A 31 42.698 0.698 20.049 1.00 1.00 C ATOM 429 C ILE A 31 41.342 1.415 20.115 1.00 1.00 C ATOM 430 O ILE A 31 41.012 2.012 21.138 1.00 1.00 O ATOM 431 CB ILE A 31 43.772 1.643 19.491 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.139 1.255 20.071 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.445 3.094 19.865 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.371 1.973 21.405 1.00 1.00 C ATOM 0 H ILE A 31 42.904 -0.391 18.267 1.00 1.00 H new ATOM 0 HA ILE A 31 42.968 0.406 21.064 1.00 1.00 H new ATOM 0 HB ILE A 31 43.796 1.557 18.405 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.187 0.176 20.217 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.929 1.517 19.367 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.213 3.755 19.464 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.476 3.368 19.447 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.413 3.192 20.950 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.344 1.690 21.806 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.344 3.051 21.247 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.591 1.690 22.111 1.00 1.00 H new ATOM 446 N PRO A 32 40.550 1.379 19.063 1.00 1.00 N ATOM 447 CA PRO A 32 39.218 2.056 19.055 1.00 1.00 C ATOM 448 C PRO A 32 38.319 1.561 20.186 1.00 1.00 C ATOM 449 O PRO A 32 37.323 2.200 20.526 1.00 1.00 O ATOM 450 CB PRO A 32 38.621 1.701 17.689 1.00 1.00 C ATOM 451 CG PRO A 32 39.777 1.298 16.838 1.00 1.00 C ATOM 452 CD PRO A 32 40.818 0.704 17.782 1.00 1.00 C ATOM 0 HA PRO A 32 39.310 3.131 19.210 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.897 0.891 17.776 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.095 2.553 17.258 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.472 0.569 16.088 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.183 2.156 16.302 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.710 -0.377 17.868 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.832 0.896 17.432 1.00 1.00 H new ATOM 460 N ALA A 33 38.678 0.419 20.762 1.00 1.00 N ATOM 461 CA ALA A 33 37.897 -0.153 21.854 1.00 1.00 C ATOM 462 C ALA A 33 38.202 0.566 23.164 1.00 1.00 C ATOM 463 O ALA A 33 37.346 0.662 24.044 1.00 1.00 O ATOM 464 CB ALA A 33 38.216 -1.642 22.000 1.00 1.00 C ATOM 0 H ALA A 33 39.498 -0.126 20.494 1.00 1.00 H new ATOM 0 HA ALA A 33 36.839 -0.030 21.623 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.629 -2.061 22.817 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.969 -2.160 21.073 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.277 -1.767 22.214 1.00 1.00 H new ATOM 470 N ILE A 34 39.426 1.069 23.285 1.00 1.00 N ATOM 471 CA ILE A 34 39.833 1.778 24.493 1.00 1.00 C ATOM 472 C ILE A 34 39.360 3.227 24.446 1.00 1.00 C ATOM 473 O ILE A 34 39.309 3.908 25.470 1.00 1.00 O ATOM 474 CB ILE A 34 41.356 1.743 24.633 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.867 0.337 24.305 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.747 2.106 26.066 1.00 1.00 C ATOM 477 CD1 ILE A 34 41.051 -0.703 25.077 1.00 1.00 C ATOM 0 H ILE A 34 40.148 1.000 22.568 1.00 1.00 H new ATOM 0 HA ILE A 34 39.378 1.284 25.352 1.00 1.00 H new ATOM 0 HB ILE A 34 41.800 2.461 23.943 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.789 0.152 23.234 1.00 1.00 H new ATOM 0 HG13 ILE A 34 42.922 0.253 24.567 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.832 2.081 26.165 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.385 3.107 26.300 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.303 1.389 26.757 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.418 -1.702 24.841 1.00 1.00 H new ATOM 0 HD12 ILE A 34 41.152 -0.523 26.147 1.00 1.00 H new ATOM 0 HD13 ILE A 34 40.001 -0.626 24.793 1.00 1.00 H new ATOM 489 N TYR A 35 39.015 3.692 23.249 1.00 1.00 N ATOM 490 CA TYR A 35 38.547 5.063 23.079 1.00 1.00 C ATOM 491 C TYR A 35 37.172 5.242 23.715 1.00 1.00 C ATOM 492 O TYR A 35 36.984 6.098 24.579 1.00 1.00 O ATOM 493 CB TYR A 35 38.473 5.408 21.591 1.00 1.00 C ATOM 494 CG TYR A 35 39.320 6.626 21.313 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.758 7.905 21.405 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.668 6.478 20.964 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.542 9.036 21.147 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.452 7.608 20.707 1.00 1.00 C ATOM 499 CZ TYR A 35 40.891 8.886 20.798 1.00 1.00 C ATOM 500 OH TYR A 35 41.664 10.000 20.545 1.00 1.00 O ATOM 0 H TYR A 35 39.050 3.145 22.389 1.00 1.00 H new ATOM 0 HA TYR A 35 39.252 5.732 23.572 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.822 4.566 20.994 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.439 5.597 21.302 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.719 8.019 21.675 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.102 5.492 20.893 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.108 10.022 21.217 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.492 7.493 20.438 1.00 1.00 H new ATOM 0 HH TYR A 35 42.576 9.721 20.318 1.00 1.00 H new ATOM 510 N MET A 36 36.216 4.429 23.281 1.00 1.00 N ATOM 511 CA MET A 36 34.860 4.507 23.814 1.00 1.00 C ATOM 512 C MET A 36 34.846 4.146 25.296 1.00 1.00 C ATOM 513 O MET A 36 34.097 4.728 26.080 1.00 1.00 O ATOM 514 CB MET A 36 33.940 3.556 23.046 1.00 1.00 C ATOM 515 CG MET A 36 33.897 3.965 21.573 1.00 1.00 C ATOM 516 SD MET A 36 34.032 2.491 20.532 1.00 1.00 S ATOM 517 CE MET A 36 34.862 3.278 19.131 1.00 1.00 C ATOM 0 H MET A 36 36.352 3.713 22.567 1.00 1.00 H new ATOM 0 HA MET A 36 34.502 5.530 23.697 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.299 2.531 23.139 1.00 1.00 H new ATOM 0 HB3 MET A 36 32.937 3.582 23.471 1.00 1.00 H new ATOM 0 HG2 MET A 36 32.967 4.491 21.358 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.712 4.655 21.352 1.00 1.00 H new ATOM 0 HE1 MET A 36 35.220 2.512 18.443 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.160 3.931 18.613 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.706 3.866 19.492 1.00 1.00 H new ATOM 527 N LEU A 37 35.680 3.182 25.673 1.00 1.00 N ATOM 528 CA LEU A 37 35.753 2.752 27.064 1.00 1.00 C ATOM 529 C LEU A 37 36.330 3.862 27.937 1.00 1.00 C ATOM 530 O LEU A 37 36.590 3.659 29.123 1.00 1.00 O ATOM 531 CB LEU A 37 36.634 1.502 27.178 1.00 1.00 C ATOM 532 CG LEU A 37 35.758 0.251 27.317 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.037 0.261 28.669 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.724 0.223 26.189 1.00 1.00 C ATOM 0 H LEU A 37 36.309 2.688 25.041 1.00 1.00 H new ATOM 0 HA LEU A 37 34.745 2.520 27.408 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.270 1.414 26.297 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.295 1.591 28.040 1.00 1.00 H new ATOM 0 HG LEU A 37 36.391 -0.634 27.257 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.418 -0.632 28.758 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.772 0.274 29.473 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.407 1.148 28.739 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.102 -0.666 26.288 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.097 1.113 26.248 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.236 0.202 25.227 1.00 1.00 H new ATOM 546 N VAL A 38 36.524 5.035 27.342 1.00 1.00 N ATOM 547 CA VAL A 38 37.069 6.174 28.073 1.00 1.00 C ATOM 548 C VAL A 38 36.264 7.435 27.773 1.00 1.00 C ATOM 549 O VAL A 38 36.523 8.497 28.341 1.00 1.00 O ATOM 550 CB VAL A 38 38.531 6.394 27.681 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.058 7.657 28.367 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.363 5.190 28.125 1.00 1.00 C ATOM 0 H VAL A 38 36.313 5.221 26.362 1.00 1.00 H new ATOM 0 HA VAL A 38 37.008 5.962 29.140 1.00 1.00 H new ATOM 0 HB VAL A 38 38.604 6.509 26.600 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.100 7.815 28.088 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.465 8.516 28.054 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.985 7.541 29.448 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.405 5.345 27.846 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.290 5.076 29.207 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.988 4.289 27.639 1.00 1.00 H new ATOM 562 N PHE A 39 35.289 7.310 26.879 1.00 1.00 N ATOM 563 CA PHE A 39 34.452 8.447 26.513 1.00 1.00 C ATOM 564 C PHE A 39 33.141 8.420 27.292 1.00 1.00 C ATOM 565 O PHE A 39 32.819 9.362 28.016 1.00 1.00 O ATOM 566 CB PHE A 39 34.157 8.416 25.012 1.00 1.00 C ATOM 567 CG PHE A 39 34.415 9.781 24.419 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.515 10.828 24.654 1.00 1.00 C ATOM 569 CD2 PHE A 39 35.555 10.000 23.636 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.755 12.092 24.105 1.00 1.00 C ATOM 571 CE2 PHE A 39 35.794 11.266 23.087 1.00 1.00 C ATOM 572 CZ PHE A 39 34.894 12.312 23.322 1.00 1.00 C ATOM 0 H PHE A 39 35.060 6.440 26.398 1.00 1.00 H new ATOM 0 HA PHE A 39 34.988 9.363 26.759 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.784 7.671 24.523 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.121 8.123 24.840 1.00 1.00 H new ATOM 0 HD1 PHE A 39 32.636 10.660 25.259 1.00 1.00 H new ATOM 0 HD2 PHE A 39 36.250 9.193 23.456 1.00 1.00 H new ATOM 0 HE1 PHE A 39 33.061 12.899 24.286 1.00 1.00 H new ATOM 0 HE2 PHE A 39 36.673 11.435 22.482 1.00 1.00 H new ATOM 0 HZ PHE A 39 35.078 13.289 22.899 1.00 1.00 H new ATOM 582 N LEU A 40 32.389 7.335 27.139 1.00 1.00 N ATOM 583 CA LEU A 40 31.114 7.198 27.834 1.00 1.00 C ATOM 584 C LEU A 40 31.331 7.108 29.342 1.00 1.00 C ATOM 585 O LEU A 40 30.499 7.563 30.126 1.00 1.00 O ATOM 586 CB LEU A 40 30.381 5.946 27.346 1.00 1.00 C ATOM 587 CG LEU A 40 31.305 4.730 27.457 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.684 3.704 28.406 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.485 4.100 26.074 1.00 1.00 C ATOM 0 H LEU A 40 32.637 6.544 26.545 1.00 1.00 H new ATOM 0 HA LEU A 40 30.509 8.079 27.617 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.481 5.786 27.939 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.062 6.079 26.312 1.00 1.00 H new ATOM 0 HG LEU A 40 32.275 5.044 27.844 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.341 2.838 28.486 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.553 4.152 29.391 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.715 3.390 28.019 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.143 3.234 26.151 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.515 3.786 25.688 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.926 4.831 25.396 1.00 1.00 H new ATOM 601 N LEU A 41 32.453 6.517 29.740 1.00 1.00 N ATOM 602 CA LEU A 41 32.767 6.374 31.157 1.00 1.00 C ATOM 603 C LEU A 41 32.642 7.716 31.871 1.00 1.00 C ATOM 604 O LEU A 41 32.048 7.805 32.947 1.00 1.00 O ATOM 605 CB LEU A 41 34.190 5.836 31.325 1.00 1.00 C ATOM 606 CG LEU A 41 34.146 4.327 31.581 1.00 1.00 C ATOM 607 CD1 LEU A 41 33.473 3.626 30.399 1.00 1.00 C ATOM 608 CD2 LEU A 41 35.572 3.794 31.742 1.00 1.00 C ATOM 0 H LEU A 41 33.155 6.132 29.107 1.00 1.00 H new ATOM 0 HA LEU A 41 32.059 5.673 31.598 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.776 6.046 30.430 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.684 6.341 32.155 1.00 1.00 H new ATOM 0 HG LEU A 41 33.579 4.132 32.491 1.00 1.00 H new ATOM 0 HD11 LEU A 41 33.442 2.552 30.582 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.457 4.003 30.283 1.00 1.00 H new ATOM 0 HD13 LEU A 41 34.040 3.823 29.489 1.00 1.00 H new ATOM 0 HD21 LEU A 41 35.541 2.720 31.924 1.00 1.00 H new ATOM 0 HD22 LEU A 41 36.139 3.991 30.832 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.053 4.291 32.584 1.00 1.00 H new ATOM 620 N GLY A 42 33.207 8.757 31.269 1.00 1.00 N ATOM 621 CA GLY A 42 33.153 10.091 31.857 1.00 1.00 C ATOM 622 C GLY A 42 32.119 10.959 31.150 1.00 1.00 C ATOM 623 O GLY A 42 32.073 12.173 31.350 1.00 1.00 O ATOM 0 H GLY A 42 33.705 8.704 30.380 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.906 10.016 32.916 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.134 10.561 31.791 1.00 1.00 H new ATOM 627 N THR A 43 31.290 10.331 30.323 1.00 1.00 N ATOM 628 CA THR A 43 30.260 11.058 29.591 1.00 1.00 C ATOM 629 C THR A 43 28.952 10.274 29.585 1.00 1.00 C ATOM 630 O THR A 43 28.580 9.663 30.586 1.00 1.00 O ATOM 631 CB THR A 43 30.717 11.303 28.152 1.00 1.00 C ATOM 632 OG1 THR A 43 32.102 11.619 28.143 1.00 1.00 O ATOM 633 CG2 THR A 43 29.923 12.466 27.554 1.00 1.00 C ATOM 0 H THR A 43 31.311 9.327 30.144 1.00 1.00 H new ATOM 0 HA THR A 43 30.094 12.014 30.087 1.00 1.00 H new ATOM 0 HB THR A 43 30.545 10.405 27.558 1.00 1.00 H new ATOM 0 HG1 THR A 43 32.625 10.794 28.061 1.00 1.00 H new ATOM 0 HG21 THR A 43 30.249 12.640 26.529 1.00 1.00 H new ATOM 0 HG22 THR A 43 28.861 12.223 27.560 1.00 1.00 H new ATOM 0 HG23 THR A 43 30.093 13.365 28.146 1.00 1.00 H new ATOM 641 N THR A 44 28.261 10.297 28.450 1.00 1.00 N ATOM 642 CA THR A 44 26.993 9.585 28.321 1.00 1.00 C ATOM 643 C THR A 44 26.009 10.042 29.393 1.00 1.00 C ATOM 644 O THR A 44 25.129 10.862 29.132 1.00 1.00 O ATOM 645 CB THR A 44 27.225 8.077 28.445 1.00 1.00 C ATOM 646 OG1 THR A 44 28.158 7.661 27.459 1.00 1.00 O ATOM 647 CG2 THR A 44 25.901 7.337 28.244 1.00 1.00 C ATOM 0 H THR A 44 28.554 10.797 27.611 1.00 1.00 H new ATOM 0 HA THR A 44 26.572 9.807 27.341 1.00 1.00 H new ATOM 0 HB THR A 44 27.618 7.849 29.436 1.00 1.00 H new ATOM 0 HG1 THR A 44 27.845 6.831 27.042 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.067 6.263 28.332 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.186 7.657 29.002 1.00 1.00 H new ATOM 0 HG23 THR A 44 25.505 7.562 27.254 1.00 1.00 H new ATOM 655 N GLY A 45 26.164 9.506 30.598 1.00 1.00 N ATOM 656 CA GLY A 45 25.283 9.866 31.703 1.00 1.00 C ATOM 657 C GLY A 45 26.017 9.777 33.037 1.00 1.00 C ATOM 658 O GLY A 45 25.459 9.321 34.035 1.00 1.00 O ATOM 0 H GLY A 45 26.886 8.825 30.834 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.906 10.878 31.558 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.418 9.203 31.715 1.00 1.00 H new ATOM 662 N ASN A 46 27.272 10.216 33.047 1.00 1.00 N ATOM 663 CA ASN A 46 28.074 10.181 34.264 1.00 1.00 C ATOM 664 C ASN A 46 27.426 11.025 35.357 1.00 1.00 C ATOM 665 O ASN A 46 27.875 12.133 35.648 1.00 1.00 O ATOM 666 CB ASN A 46 29.481 10.707 33.978 1.00 1.00 C ATOM 667 CG ASN A 46 29.412 12.159 33.515 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.616 13.075 34.311 1.00 1.00 O ATOM 669 ND2 ASN A 46 29.133 12.424 32.269 1.00 1.00 N ATOM 0 H ASN A 46 27.752 10.597 32.232 1.00 1.00 H new ATOM 0 HA ASN A 46 28.135 9.148 34.606 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.095 10.632 34.875 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.958 10.095 33.213 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.083 13.392 31.952 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.964 11.663 31.611 1.00 1.00 H new ATOM 676 N GLY A 47 26.366 10.493 35.959 1.00 1.00 N ATOM 677 CA GLY A 47 25.663 11.206 37.019 1.00 1.00 C ATOM 678 C GLY A 47 24.645 10.301 37.703 1.00 1.00 C ATOM 679 O GLY A 47 24.405 10.418 38.904 1.00 1.00 O ATOM 0 H GLY A 47 25.978 9.577 35.733 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.380 11.573 37.753 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.158 12.078 36.603 1.00 1.00 H new ATOM 683 N LEU A 48 24.049 9.399 36.930 1.00 1.00 N ATOM 684 CA LEU A 48 23.057 8.478 37.472 1.00 1.00 C ATOM 685 C LEU A 48 23.218 7.092 36.857 1.00 1.00 C ATOM 686 O LEU A 48 22.509 6.154 37.220 1.00 1.00 O ATOM 687 CB LEU A 48 21.648 9.003 37.190 1.00 1.00 C ATOM 688 CG LEU A 48 20.969 9.379 38.508 1.00 1.00 C ATOM 689 CD1 LEU A 48 19.633 10.066 38.217 1.00 1.00 C ATOM 690 CD2 LEU A 48 20.720 8.115 39.333 1.00 1.00 C ATOM 0 H LEU A 48 24.234 9.286 35.933 1.00 1.00 H new ATOM 0 HA LEU A 48 23.209 8.404 38.549 1.00 1.00 H new ATOM 0 HB2 LEU A 48 21.697 9.872 36.533 1.00 1.00 H new ATOM 0 HB3 LEU A 48 21.063 8.244 36.671 1.00 1.00 H new ATOM 0 HG LEU A 48 21.614 10.058 39.066 1.00 1.00 H new ATOM 0 HD11 LEU A 48 19.149 10.334 39.156 1.00 1.00 H new ATOM 0 HD12 LEU A 48 19.808 10.967 37.629 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.989 9.387 37.658 1.00 1.00 H new ATOM 0 HD21 LEU A 48 20.236 8.383 40.272 1.00 1.00 H new ATOM 0 HD22 LEU A 48 20.076 7.436 38.774 1.00 1.00 H new ATOM 0 HD23 LEU A 48 21.670 7.624 39.542 1.00 1.00 H new ATOM 702 N VAL A 49 24.156 6.970 35.923 1.00 1.00 N ATOM 703 CA VAL A 49 24.402 5.693 35.264 1.00 1.00 C ATOM 704 C VAL A 49 25.372 4.845 36.080 1.00 1.00 C ATOM 705 O VAL A 49 25.591 3.673 35.779 1.00 1.00 O ATOM 706 CB VAL A 49 24.979 5.929 33.868 1.00 1.00 C ATOM 707 CG1 VAL A 49 25.394 4.591 33.252 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.919 6.589 32.982 1.00 1.00 C ATOM 0 H VAL A 49 24.754 7.734 35.607 1.00 1.00 H new ATOM 0 HA VAL A 49 23.454 5.161 35.181 1.00 1.00 H new ATOM 0 HB VAL A 49 25.850 6.581 33.942 1.00 1.00 H new ATOM 0 HG11 VAL A 49 25.805 4.761 32.257 1.00 1.00 H new ATOM 0 HG12 VAL A 49 26.149 4.119 33.881 1.00 1.00 H new ATOM 0 HG13 VAL A 49 24.524 3.939 33.179 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.330 6.757 31.987 1.00 1.00 H new ATOM 0 HG22 VAL A 49 23.048 5.937 32.909 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.623 7.543 33.418 1.00 1.00 H new ATOM 718 N LEU A 50 25.949 5.447 37.116 1.00 1.00 N ATOM 719 CA LEU A 50 26.893 4.735 37.970 1.00 1.00 C ATOM 720 C LEU A 50 26.189 4.188 39.207 1.00 1.00 C ATOM 721 O LEU A 50 26.812 3.562 40.063 1.00 1.00 O ATOM 722 CB LEU A 50 28.031 5.668 38.397 1.00 1.00 C ATOM 723 CG LEU A 50 27.506 7.098 38.552 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.350 7.117 39.554 1.00 1.00 C ATOM 725 CD2 LEU A 50 28.632 7.998 39.064 1.00 1.00 C ATOM 0 H LEU A 50 25.781 6.417 37.383 1.00 1.00 H new ATOM 0 HA LEU A 50 27.306 3.902 37.401 1.00 1.00 H new ATOM 0 HB2 LEU A 50 28.459 5.325 39.339 1.00 1.00 H new ATOM 0 HB3 LEU A 50 28.830 5.643 37.656 1.00 1.00 H new ATOM 0 HG LEU A 50 27.154 7.460 37.586 1.00 1.00 H new ATOM 0 HD11 LEU A 50 25.979 8.136 39.662 1.00 1.00 H new ATOM 0 HD12 LEU A 50 25.546 6.474 39.195 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.700 6.754 40.520 1.00 1.00 H new ATOM 0 HD21 LEU A 50 28.261 9.017 39.175 1.00 1.00 H new ATOM 0 HD22 LEU A 50 28.981 7.631 40.029 1.00 1.00 H new ATOM 0 HD23 LEU A 50 29.458 7.988 38.353 1.00 1.00 H new ATOM 737 N TRP A 51 24.884 4.427 39.291 1.00 1.00 N ATOM 738 CA TRP A 51 24.103 3.951 40.427 1.00 1.00 C ATOM 739 C TRP A 51 23.529 2.568 40.137 1.00 1.00 C ATOM 740 O TRP A 51 23.191 1.819 41.053 1.00 1.00 O ATOM 741 CB TRP A 51 22.963 4.927 40.725 1.00 1.00 C ATOM 742 CG TRP A 51 21.651 4.248 40.490 1.00 1.00 C ATOM 743 CD1 TRP A 51 21.145 3.935 39.276 1.00 1.00 C ATOM 744 CD2 TRP A 51 20.674 3.795 41.472 1.00 1.00 C ATOM 745 NE1 TRP A 51 19.919 3.319 39.449 1.00 1.00 N ATOM 746 CE2 TRP A 51 19.585 3.209 40.784 1.00 1.00 C ATOM 747 CE3 TRP A 51 20.626 3.835 42.877 1.00 1.00 C ATOM 748 CZ2 TRP A 51 18.487 2.681 41.467 1.00 1.00 C ATOM 749 CZ3 TRP A 51 19.525 3.305 43.567 1.00 1.00 C ATOM 750 CH2 TRP A 51 18.457 2.730 42.863 1.00 1.00 C ATOM 0 H TRP A 51 24.349 4.943 38.592 1.00 1.00 H new ATOM 0 HA TRP A 51 24.760 3.887 41.295 1.00 1.00 H new ATOM 0 HB2 TRP A 51 23.026 5.272 41.757 1.00 1.00 H new ATOM 0 HB3 TRP A 51 23.048 5.808 40.088 1.00 1.00 H new ATOM 0 HD1 TRP A 51 21.620 4.133 38.327 1.00 1.00 H new ATOM 0 HE1 TRP A 51 19.333 2.986 38.683 1.00 1.00 H new ATOM 0 HE3 TRP A 51 21.442 4.277 43.429 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 17.668 2.238 40.920 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 19.500 3.340 44.646 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.612 2.325 43.400 1.00 1.00 H new ATOM 761 N THR A 52 23.423 2.237 38.854 1.00 1.00 N ATOM 762 CA THR A 52 22.891 0.942 38.450 1.00 1.00 C ATOM 763 C THR A 52 24.000 -0.105 38.420 1.00 1.00 C ATOM 764 O THR A 52 23.736 -1.306 38.476 1.00 1.00 O ATOM 765 CB THR A 52 22.252 1.050 37.064 1.00 1.00 C ATOM 766 OG1 THR A 52 21.295 0.012 36.903 1.00 1.00 O ATOM 767 CG2 THR A 52 23.333 0.921 35.990 1.00 1.00 C ATOM 0 H THR A 52 23.697 2.844 38.081 1.00 1.00 H new ATOM 0 HA THR A 52 22.137 0.637 39.175 1.00 1.00 H new ATOM 0 HB THR A 52 21.759 2.017 36.965 1.00 1.00 H new ATOM 0 HG1 THR A 52 20.884 0.081 36.016 1.00 1.00 H new ATOM 0 HG21 THR A 52 22.877 0.998 35.003 1.00 1.00 H new ATOM 0 HG22 THR A 52 24.066 1.718 36.114 1.00 1.00 H new ATOM 0 HG23 THR A 52 23.828 -0.045 36.086 1.00 1.00 H new ATOM 775 N VAL A 53 25.242 0.360 38.331 1.00 1.00 N ATOM 776 CA VAL A 53 26.385 -0.545 38.293 1.00 1.00 C ATOM 777 C VAL A 53 26.646 -1.136 39.675 1.00 1.00 C ATOM 778 O VAL A 53 26.918 -2.329 39.808 1.00 1.00 O ATOM 779 CB VAL A 53 27.629 0.207 37.815 1.00 1.00 C ATOM 780 CG1 VAL A 53 28.878 -0.609 38.149 1.00 1.00 C ATOM 781 CG2 VAL A 53 27.547 0.414 36.301 1.00 1.00 C ATOM 0 H VAL A 53 25.482 1.350 38.284 1.00 1.00 H new ATOM 0 HA VAL A 53 26.161 -1.356 37.600 1.00 1.00 H new ATOM 0 HB VAL A 53 27.683 1.175 38.314 1.00 1.00 H new ATOM 0 HG11 VAL A 53 29.764 -0.074 37.809 1.00 1.00 H new ATOM 0 HG12 VAL A 53 28.937 -0.760 39.227 1.00 1.00 H new ATOM 0 HG13 VAL A 53 28.825 -1.577 37.650 1.00 1.00 H new ATOM 0 HG21 VAL A 53 28.432 0.950 35.959 1.00 1.00 H new ATOM 0 HG22 VAL A 53 27.494 -0.554 35.804 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.656 0.995 36.061 1.00 1.00 H new ATOM 791 N PHE A 54 26.561 -0.294 40.699 1.00 1.00 N ATOM 792 CA PHE A 54 26.789 -0.746 42.067 1.00 1.00 C ATOM 793 C PHE A 54 25.540 -1.420 42.625 1.00 1.00 C ATOM 794 O PHE A 54 25.580 -2.045 43.685 1.00 1.00 O ATOM 795 CB PHE A 54 27.171 0.442 42.952 1.00 1.00 C ATOM 796 CG PHE A 54 26.335 0.424 44.210 1.00 1.00 C ATOM 797 CD1 PHE A 54 26.742 -0.340 45.309 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.154 1.172 44.276 1.00 1.00 C ATOM 799 CE1 PHE A 54 25.967 -0.356 46.475 1.00 1.00 C ATOM 800 CE2 PHE A 54 24.379 1.157 45.441 1.00 1.00 C ATOM 801 CZ PHE A 54 24.786 0.391 46.542 1.00 1.00 C ATOM 0 H PHE A 54 26.338 0.697 40.610 1.00 1.00 H new ATOM 0 HA PHE A 54 27.604 -1.470 42.060 1.00 1.00 H new ATOM 0 HB2 PHE A 54 28.230 0.394 43.206 1.00 1.00 H new ATOM 0 HB3 PHE A 54 27.015 1.376 42.412 1.00 1.00 H new ATOM 0 HD1 PHE A 54 27.653 -0.917 45.258 1.00 1.00 H new ATOM 0 HD2 PHE A 54 24.840 1.761 43.427 1.00 1.00 H new ATOM 0 HE1 PHE A 54 26.281 -0.946 47.324 1.00 1.00 H new ATOM 0 HE2 PHE A 54 23.468 1.735 45.492 1.00 1.00 H new ATOM 0 HZ PHE A 54 24.188 0.377 47.441 1.00 1.00 H new ATOM 811 N ARG A 55 24.431 -1.288 41.904 1.00 1.00 N ATOM 812 CA ARG A 55 23.175 -1.889 42.336 1.00 1.00 C ATOM 813 C ARG A 55 22.974 -3.246 41.669 1.00 1.00 C ATOM 814 O ARG A 55 22.853 -4.268 42.344 1.00 1.00 O ATOM 815 CB ARG A 55 22.007 -0.965 41.986 1.00 1.00 C ATOM 816 CG ARG A 55 20.716 -1.517 42.594 1.00 1.00 C ATOM 817 CD ARG A 55 20.177 -0.534 43.635 1.00 1.00 C ATOM 818 NE ARG A 55 21.118 -0.407 44.743 1.00 1.00 N ATOM 819 CZ ARG A 55 20.901 0.455 45.733 1.00 1.00 C ATOM 820 NH1 ARG A 55 19.835 1.206 45.721 1.00 1.00 N ATOM 821 NH2 ARG A 55 21.757 0.548 46.714 1.00 1.00 N ATOM 0 H ARG A 55 24.376 -0.774 41.025 1.00 1.00 H new ATOM 0 HA ARG A 55 23.213 -2.031 43.416 1.00 1.00 H new ATOM 0 HB2 ARG A 55 22.199 0.039 42.364 1.00 1.00 H new ATOM 0 HB3 ARG A 55 21.906 -0.884 40.904 1.00 1.00 H new ATOM 0 HG2 ARG A 55 19.974 -1.678 41.812 1.00 1.00 H new ATOM 0 HG3 ARG A 55 20.905 -2.485 43.057 1.00 1.00 H new ATOM 0 HD2 ARG A 55 20.012 0.440 43.175 1.00 1.00 H new ATOM 0 HD3 ARG A 55 19.212 -0.879 44.006 1.00 1.00 H new ATOM 0 HE ARG A 55 21.956 -0.989 44.759 1.00 1.00 H new ATOM 0 HH11 ARG A 55 19.168 1.132 44.953 1.00 1.00 H new ATOM 0 HH12 ARG A 55 19.668 1.867 46.480 1.00 1.00 H new ATOM 0 HH21 ARG A 55 22.591 -0.040 46.721 1.00 1.00 H new ATOM 0 HH22 ARG A 55 21.592 1.208 47.474 1.00 1.00 H new ATOM 835 N LYS A 56 22.937 -3.248 40.340 1.00 1.00 N ATOM 836 CA LYS A 56 22.750 -4.487 39.594 1.00 1.00 C ATOM 837 C LYS A 56 23.691 -5.570 40.112 1.00 1.00 C ATOM 838 O LYS A 56 23.399 -6.761 40.010 1.00 1.00 O ATOM 839 CB LYS A 56 23.010 -4.247 38.106 1.00 1.00 C ATOM 840 CG LYS A 56 24.516 -4.287 37.837 1.00 1.00 C ATOM 841 CD LYS A 56 24.818 -3.585 36.511 1.00 1.00 C ATOM 842 CE LYS A 56 24.113 -4.323 35.371 1.00 1.00 C ATOM 843 NZ LYS A 56 22.671 -3.946 35.352 1.00 1.00 N ATOM 0 H LYS A 56 23.033 -2.413 39.762 1.00 1.00 H new ATOM 0 HA LYS A 56 21.721 -4.820 39.731 1.00 1.00 H new ATOM 0 HB2 LYS A 56 22.503 -5.006 37.510 1.00 1.00 H new ATOM 0 HB3 LYS A 56 22.602 -3.282 37.806 1.00 1.00 H new ATOM 0 HG2 LYS A 56 25.054 -3.799 38.650 1.00 1.00 H new ATOM 0 HG3 LYS A 56 24.862 -5.320 37.801 1.00 1.00 H new ATOM 0 HD2 LYS A 56 24.481 -2.549 36.551 1.00 1.00 H new ATOM 0 HD3 LYS A 56 25.893 -3.564 36.335 1.00 1.00 H new ATOM 0 HE2 LYS A 56 24.578 -4.071 34.418 1.00 1.00 H new ATOM 0 HE3 LYS A 56 24.217 -5.400 35.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 22.381 -3.733 34.376 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 22.101 -4.735 35.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 22.524 -3.107 35.948 1.00 1.00 H new ATOM 857 N LYS A 57 24.821 -5.147 40.670 1.00 1.00 N ATOM 858 CA LYS A 57 25.797 -6.089 41.205 1.00 1.00 C ATOM 859 C LYS A 57 25.535 -6.347 42.685 1.00 1.00 C ATOM 860 O LYS A 57 26.466 -6.434 43.485 1.00 1.00 O ATOM 861 CB LYS A 57 27.212 -5.535 41.024 1.00 1.00 C ATOM 862 CG LYS A 57 27.629 -5.667 39.557 1.00 1.00 C ATOM 863 CD LYS A 57 28.983 -4.986 39.349 1.00 1.00 C ATOM 864 CE LYS A 57 29.601 -5.471 38.036 1.00 1.00 C ATOM 865 NZ LYS A 57 30.613 -6.526 38.324 1.00 1.00 N ATOM 0 H LYS A 57 25.082 -4.165 40.763 1.00 1.00 H new ATOM 0 HA LYS A 57 25.703 -7.029 40.661 1.00 1.00 H new ATOM 0 HB2 LYS A 57 27.246 -4.489 41.330 1.00 1.00 H new ATOM 0 HB3 LYS A 57 27.910 -6.077 41.662 1.00 1.00 H new ATOM 0 HG2 LYS A 57 27.692 -6.719 39.279 1.00 1.00 H new ATOM 0 HG3 LYS A 57 26.878 -5.212 38.912 1.00 1.00 H new ATOM 0 HD2 LYS A 57 28.858 -3.903 39.327 1.00 1.00 H new ATOM 0 HD3 LYS A 57 29.648 -5.213 40.182 1.00 1.00 H new ATOM 0 HE2 LYS A 57 28.825 -5.866 37.380 1.00 1.00 H new ATOM 0 HE3 LYS A 57 30.068 -4.637 37.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 31.034 -6.856 37.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 31.359 -6.135 38.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 30.154 -7.325 38.807 1.00 1.00 H new ATOM 879 N GLY A 58 24.260 -6.470 43.040 1.00 1.00 N ATOM 880 CA GLY A 58 23.884 -6.718 44.426 1.00 1.00 C ATOM 881 C GLY A 58 23.711 -8.210 44.686 1.00 1.00 C ATOM 882 O GLY A 58 24.686 -8.960 44.726 1.00 1.00 O ATOM 0 H GLY A 58 23.475 -6.403 42.392 1.00 1.00 H new ATOM 0 HA2 GLY A 58 24.648 -6.315 45.091 1.00 1.00 H new ATOM 0 HA3 GLY A 58 22.955 -6.195 44.654 1.00 1.00 H new ATOM 886 N HIS A 59 22.463 -8.635 44.861 1.00 1.00 N ATOM 887 CA HIS A 59 22.174 -10.041 45.116 1.00 1.00 C ATOM 888 C HIS A 59 22.719 -10.913 43.989 1.00 1.00 C ATOM 889 O HIS A 59 23.071 -12.074 44.204 1.00 1.00 O ATOM 890 CB HIS A 59 20.665 -10.249 45.241 1.00 1.00 C ATOM 891 CG HIS A 59 20.074 -9.148 46.077 1.00 1.00 C ATOM 892 ND1 HIS A 59 18.886 -8.519 45.739 1.00 1.00 N ATOM 893 CD2 HIS A 59 20.495 -8.552 47.240 1.00 1.00 C ATOM 894 CE1 HIS A 59 18.635 -7.591 46.681 1.00 1.00 C ATOM 895 NE2 HIS A 59 19.585 -7.569 47.619 1.00 1.00 N ATOM 0 H HIS A 59 21.642 -8.031 44.831 1.00 1.00 H new ATOM 0 HA HIS A 59 22.658 -10.329 46.049 1.00 1.00 H new ATOM 0 HB2 HIS A 59 20.205 -10.256 44.253 1.00 1.00 H new ATOM 0 HB3 HIS A 59 20.457 -11.217 45.696 1.00 1.00 H new ATOM 0 HD2 HIS A 59 21.395 -8.807 47.779 1.00 1.00 H new ATOM 0 HE1 HIS A 59 17.771 -6.943 46.678 1.00 1.00 H new ATOM 0 HE2 HIS A 59 19.634 -6.962 48.437 1.00 1.00 H new ATOM 903 N HIS A 60 22.786 -10.347 42.789 1.00 1.00 N ATOM 904 CA HIS A 60 23.290 -11.083 41.635 1.00 1.00 C ATOM 905 C HIS A 60 24.621 -11.749 41.965 1.00 1.00 C ATOM 906 O HIS A 60 25.668 -11.100 41.968 1.00 1.00 O ATOM 907 CB HIS A 60 23.472 -10.134 40.449 1.00 1.00 C ATOM 908 CG HIS A 60 23.502 -10.928 39.172 1.00 1.00 C ATOM 909 ND1 HIS A 60 24.551 -10.837 38.269 1.00 1.00 N ATOM 910 CD2 HIS A 60 22.622 -11.832 38.632 1.00 1.00 C ATOM 911 CE1 HIS A 60 24.277 -11.664 37.244 1.00 1.00 C ATOM 912 NE2 HIS A 60 23.113 -12.295 37.415 1.00 1.00 N ATOM 0 H HIS A 60 22.500 -9.388 42.590 1.00 1.00 H new ATOM 0 HA HIS A 60 22.565 -11.854 41.374 1.00 1.00 H new ATOM 0 HB2 HIS A 60 22.658 -9.410 40.421 1.00 1.00 H new ATOM 0 HB3 HIS A 60 24.397 -9.569 40.560 1.00 1.00 H new ATOM 0 HD2 HIS A 60 21.690 -12.138 39.083 1.00 1.00 H new ATOM 0 HE1 HIS A 60 24.920 -11.801 36.387 1.00 1.00 H new ATOM 0 HE2 HIS A 60 22.677 -12.971 36.788 1.00 1.00 H new ATOM 920 N HIS A 61 24.575 -13.048 42.242 1.00 1.00 N ATOM 921 CA HIS A 61 25.786 -13.793 42.571 1.00 1.00 C ATOM 922 C HIS A 61 26.607 -14.065 41.315 1.00 1.00 C ATOM 923 O HIS A 61 26.130 -13.871 40.196 1.00 1.00 O ATOM 924 CB HIS A 61 25.417 -15.119 43.239 1.00 1.00 C ATOM 925 CG HIS A 61 24.814 -16.044 42.219 1.00 1.00 C ATOM 926 ND1 HIS A 61 25.470 -17.180 41.772 1.00 1.00 N ATOM 927 CD2 HIS A 61 23.616 -16.016 41.550 1.00 1.00 C ATOM 928 CE1 HIS A 61 24.671 -17.783 40.874 1.00 1.00 C ATOM 929 NE2 HIS A 61 23.527 -17.114 40.700 1.00 1.00 N ATOM 0 H HIS A 61 23.720 -13.604 42.246 1.00 1.00 H new ATOM 0 HA HIS A 61 26.383 -13.193 43.258 1.00 1.00 H new ATOM 0 HB2 HIS A 61 26.303 -15.575 43.680 1.00 1.00 H new ATOM 0 HB3 HIS A 61 24.710 -14.945 44.051 1.00 1.00 H new ATOM 0 HD2 HIS A 61 22.857 -15.256 41.666 1.00 1.00 H new ATOM 0 HE1 HIS A 61 24.923 -18.697 40.356 1.00 1.00 H new ATOM 0 HE2 HIS A 61 22.755 -17.356 40.078 1.00 1.00 H new ATOM 937 N HIS A 62 27.842 -14.514 41.507 1.00 1.00 N ATOM 938 CA HIS A 62 28.721 -14.811 40.382 1.00 1.00 C ATOM 939 C HIS A 62 28.081 -15.843 39.458 1.00 1.00 C ATOM 940 O HIS A 62 27.972 -17.018 39.807 1.00 1.00 O ATOM 941 CB HIS A 62 30.062 -15.341 40.891 1.00 1.00 C ATOM 942 CG HIS A 62 30.930 -14.188 41.314 1.00 1.00 C ATOM 943 ND1 HIS A 62 31.996 -13.746 40.549 1.00 1.00 N ATOM 944 CD2 HIS A 62 30.901 -13.376 42.422 1.00 1.00 C ATOM 945 CE1 HIS A 62 32.561 -12.712 41.198 1.00 1.00 C ATOM 946 NE2 HIS A 62 31.932 -12.444 42.346 1.00 1.00 N ATOM 0 H HIS A 62 28.255 -14.680 42.425 1.00 1.00 H new ATOM 0 HA HIS A 62 28.884 -13.890 39.822 1.00 1.00 H new ATOM 0 HB2 HIS A 62 29.903 -16.017 41.731 1.00 1.00 H new ATOM 0 HB3 HIS A 62 30.558 -15.916 40.109 1.00 1.00 H new ATOM 0 HD2 HIS A 62 30.187 -13.450 43.229 1.00 1.00 H new ATOM 0 HE1 HIS A 62 33.419 -12.165 40.835 1.00 1.00 H new ATOM 0 HE2 HIS A 62 32.159 -11.714 43.021 1.00 1.00 H new ATOM 954 N HIS A 63 27.658 -15.395 38.281 1.00 1.00 N ATOM 955 CA HIS A 63 27.030 -16.288 37.315 1.00 1.00 C ATOM 956 C HIS A 63 27.967 -17.439 36.961 1.00 1.00 C ATOM 957 O HIS A 63 29.038 -17.228 36.393 1.00 1.00 O ATOM 958 CB HIS A 63 26.667 -15.514 36.046 1.00 1.00 C ATOM 959 CG HIS A 63 25.330 -15.981 35.540 1.00 1.00 C ATOM 960 ND1 HIS A 63 24.449 -15.132 34.888 1.00 1.00 N ATOM 961 CD2 HIS A 63 24.710 -17.206 35.580 1.00 1.00 C ATOM 962 CE1 HIS A 63 23.357 -15.850 34.566 1.00 1.00 C ATOM 963 NE2 HIS A 63 23.464 -17.120 34.965 1.00 1.00 N ATOM 0 H HIS A 63 27.738 -14.425 37.974 1.00 1.00 H new ATOM 0 HA HIS A 63 26.124 -16.696 37.762 1.00 1.00 H new ATOM 0 HB2 HIS A 63 26.635 -14.445 36.256 1.00 1.00 H new ATOM 0 HB3 HIS A 63 27.430 -15.667 35.283 1.00 1.00 H new ATOM 0 HD2 HIS A 63 25.126 -18.100 36.021 1.00 1.00 H new ATOM 0 HE1 HIS A 63 22.499 -15.448 34.048 1.00 1.00 H new ATOM 0 HE2 HIS A 63 22.780 -17.867 34.845 1.00 1.00 H new ATOM 971 N HIS A 64 27.556 -18.656 37.302 1.00 1.00 N ATOM 972 CA HIS A 64 28.367 -19.833 37.016 1.00 1.00 C ATOM 973 C HIS A 64 27.689 -21.093 37.544 1.00 1.00 C ATOM 974 O HIS A 64 27.904 -22.145 36.965 1.00 1.00 O ATOM 975 CB HIS A 64 29.746 -19.686 37.659 1.00 1.00 C ATOM 976 CG HIS A 64 30.160 -20.999 38.265 1.00 1.00 C ATOM 977 ND1 HIS A 64 30.323 -21.163 39.632 1.00 1.00 N ATOM 978 CD2 HIS A 64 30.446 -22.219 37.705 1.00 1.00 C ATOM 979 CE1 HIS A 64 30.692 -22.439 39.847 1.00 1.00 C ATOM 980 NE2 HIS A 64 30.782 -23.126 38.706 1.00 1.00 N ATOM 981 OXT HIS A 64 26.963 -20.988 38.519 1.00 1.00 O ATOM 0 H HIS A 64 26.673 -18.852 37.773 1.00 1.00 H new ATOM 0 HA HIS A 64 28.478 -19.920 35.935 1.00 1.00 H new ATOM 0 HB2 HIS A 64 30.475 -19.372 36.912 1.00 1.00 H new ATOM 0 HB3 HIS A 64 29.721 -18.911 38.426 1.00 1.00 H new ATOM 0 HD2 HIS A 64 30.415 -22.441 36.649 1.00 1.00 H new ATOM 0 HE1 HIS A 64 30.891 -22.856 40.823 1.00 1.00 H new ATOM 0 HE2 HIS A 64 31.041 -24.106 38.592 1.00 1.00 H new TER 989 HIS A 64