USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=18 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 52 THR OG1 : rot -120:sc= 0.531 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 152:sc= 0.505 (180deg=-0.459) USER MOD Set 2.1: A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0174 (180deg=-0.291) USER MOD Single : A 9 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.3) 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 16 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 17 SER OG : rot 180:sc= -0.386 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.44 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= -0.123 (180deg=-1.18!) USER MOD Single : A 26 SER OG : rot -35:sc= -0.84! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 18:sc= 0.324 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.55! C(o=-2.2!,f=-1.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0.00099) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.258 F(o=-0.99!,f=-0.26) USER MOD Single : A 61 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.48) USER MOD Single : A 63 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.93) USER MOD Single : A 64 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.815 50.512 -30.901 1.00 1.00 N ATOM 2 CA MET A 1 59.917 49.590 -31.653 1.00 1.00 C ATOM 3 C MET A 1 58.588 49.463 -30.914 1.00 1.00 C ATOM 4 O MET A 1 58.548 49.041 -29.758 1.00 1.00 O ATOM 5 CB MET A 1 60.583 48.218 -31.771 1.00 1.00 C ATOM 6 CG MET A 1 61.767 48.305 -32.735 1.00 1.00 C ATOM 7 SD MET A 1 62.586 46.694 -32.832 1.00 1.00 S ATOM 8 CE MET A 1 63.429 46.963 -34.411 1.00 1.00 C ATOM 0 H1 MET A 1 61.587 50.828 -31.522 1.00 1.00 H new ATOM 0 H2 MET A 1 60.272 51.338 -30.577 1.00 1.00 H new ATOM 0 H3 MET A 1 61.213 50.015 -30.079 1.00 1.00 H new ATOM 0 HA MET A 1 59.734 49.986 -32.652 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.922 47.882 -30.791 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.863 47.482 -32.129 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.423 48.610 -33.723 1.00 1.00 H new ATOM 0 HG3 MET A 1 62.472 49.063 -32.394 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.007 46.076 -34.671 1.00 1.00 H new ATOM 0 HE2 MET A 1 62.691 47.156 -35.189 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.098 47.819 -34.325 1.00 1.00 H new ATOM 20 N GLU A 2 57.504 49.830 -31.588 1.00 1.00 N ATOM 21 CA GLU A 2 56.179 49.752 -30.986 1.00 1.00 C ATOM 22 C GLU A 2 55.638 48.329 -31.062 1.00 1.00 C ATOM 23 O GLU A 2 54.740 48.037 -31.854 1.00 1.00 O ATOM 24 CB GLU A 2 55.221 50.704 -31.705 1.00 1.00 C ATOM 25 CG GLU A 2 55.571 52.150 -31.345 1.00 1.00 C ATOM 26 CD GLU A 2 54.960 53.104 -32.366 1.00 1.00 C ATOM 27 OE1 GLU A 2 53.752 53.067 -32.534 1.00 1.00 O ATOM 28 OE2 GLU A 2 55.710 53.856 -32.966 1.00 1.00 O ATOM 0 H GLU A 2 57.516 50.182 -32.545 1.00 1.00 H new ATOM 0 HA GLU A 2 56.260 50.042 -29.938 1.00 1.00 H new ATOM 0 HB2 GLU A 2 55.290 50.560 -32.783 1.00 1.00 H new ATOM 0 HB3 GLU A 2 54.192 50.486 -31.419 1.00 1.00 H new ATOM 0 HG2 GLU A 2 55.200 52.385 -30.348 1.00 1.00 H new ATOM 0 HG3 GLU A 2 56.653 52.275 -31.320 1.00 1.00 H new ATOM 35 N GLU A 3 56.187 47.447 -30.235 1.00 1.00 N ATOM 36 CA GLU A 3 55.752 46.055 -30.218 1.00 1.00 C ATOM 37 C GLU A 3 54.235 45.970 -30.073 1.00 1.00 C ATOM 38 O GLU A 3 53.631 46.733 -29.318 1.00 1.00 O ATOM 39 CB GLU A 3 56.420 45.313 -29.060 1.00 1.00 C ATOM 40 CG GLU A 3 57.889 45.055 -29.397 1.00 1.00 C ATOM 41 CD GLU A 3 58.700 44.904 -28.115 1.00 1.00 C ATOM 42 OE1 GLU A 3 58.129 44.484 -27.122 1.00 1.00 O ATOM 43 OE2 GLU A 3 59.880 45.212 -28.144 1.00 1.00 O ATOM 0 H GLU A 3 56.929 47.668 -29.571 1.00 1.00 H new ATOM 0 HA GLU A 3 56.042 45.591 -31.161 1.00 1.00 H new ATOM 0 HB2 GLU A 3 56.344 45.901 -28.145 1.00 1.00 H new ATOM 0 HB3 GLU A 3 55.907 44.369 -28.875 1.00 1.00 H new ATOM 0 HG2 GLU A 3 57.979 44.153 -30.002 1.00 1.00 H new ATOM 0 HG3 GLU A 3 58.284 45.878 -29.992 1.00 1.00 H new ATOM 50 N GLY A 4 53.628 45.039 -30.800 1.00 1.00 N ATOM 51 CA GLY A 4 52.181 44.865 -30.745 1.00 1.00 C ATOM 52 C GLY A 4 51.805 43.738 -29.787 1.00 1.00 C ATOM 53 O GLY A 4 50.670 43.260 -29.792 1.00 1.00 O ATOM 0 H GLY A 4 54.110 44.398 -31.430 1.00 1.00 H new ATOM 0 HA2 GLY A 4 51.711 45.794 -30.423 1.00 1.00 H new ATOM 0 HA3 GLY A 4 51.799 44.643 -31.742 1.00 1.00 H new ATOM 57 N GLY A 5 52.763 43.321 -28.967 1.00 1.00 N ATOM 58 CA GLY A 5 52.520 42.250 -28.007 1.00 1.00 C ATOM 59 C GLY A 5 53.205 42.545 -26.677 1.00 1.00 C ATOM 60 O GLY A 5 54.408 42.330 -26.527 1.00 1.00 O ATOM 0 H GLY A 5 53.708 43.704 -28.947 1.00 1.00 H new ATOM 0 HA2 GLY A 5 51.448 42.133 -27.850 1.00 1.00 H new ATOM 0 HA3 GLY A 5 52.888 41.306 -28.409 1.00 1.00 H new ATOM 64 N ASP A 6 52.433 43.037 -25.715 1.00 1.00 N ATOM 65 CA ASP A 6 52.976 43.358 -24.400 1.00 1.00 C ATOM 66 C ASP A 6 53.585 42.118 -23.755 1.00 1.00 C ATOM 67 O ASP A 6 54.248 42.205 -22.722 1.00 1.00 O ATOM 68 CB ASP A 6 51.871 43.913 -23.499 1.00 1.00 C ATOM 69 CG ASP A 6 52.474 44.454 -22.208 1.00 1.00 C ATOM 70 OD1 ASP A 6 53.410 45.231 -22.293 1.00 1.00 O ATOM 71 OD2 ASP A 6 51.989 44.084 -21.151 1.00 1.00 O ATOM 0 H ASP A 6 51.435 43.222 -25.819 1.00 1.00 H new ATOM 0 HA ASP A 6 53.755 44.110 -24.524 1.00 1.00 H new ATOM 0 HB2 ASP A 6 51.331 44.705 -24.018 1.00 1.00 H new ATOM 0 HB3 ASP A 6 51.148 43.130 -23.272 1.00 1.00 H new ATOM 76 N PHE A 7 53.359 40.964 -24.374 1.00 1.00 N ATOM 77 CA PHE A 7 53.891 39.711 -23.851 1.00 1.00 C ATOM 78 C PHE A 7 55.403 39.803 -23.677 1.00 1.00 C ATOM 79 O PHE A 7 56.017 38.949 -23.038 1.00 1.00 O ATOM 80 CB PHE A 7 53.553 38.564 -24.805 1.00 1.00 C ATOM 81 CG PHE A 7 54.530 37.432 -24.598 1.00 1.00 C ATOM 82 CD1 PHE A 7 54.336 36.521 -23.552 1.00 1.00 C ATOM 83 CD2 PHE A 7 55.630 37.292 -25.452 1.00 1.00 C ATOM 84 CE1 PHE A 7 55.241 35.471 -23.361 1.00 1.00 C ATOM 85 CE2 PHE A 7 56.536 36.243 -25.260 1.00 1.00 C ATOM 86 CZ PHE A 7 56.341 35.332 -24.215 1.00 1.00 C ATOM 0 H PHE A 7 52.815 40.870 -25.232 1.00 1.00 H new ATOM 0 HA PHE A 7 53.436 39.521 -22.879 1.00 1.00 H new ATOM 0 HB2 PHE A 7 52.535 38.217 -24.627 1.00 1.00 H new ATOM 0 HB3 PHE A 7 53.596 38.911 -25.837 1.00 1.00 H new ATOM 0 HD1 PHE A 7 53.488 36.629 -22.893 1.00 1.00 H new ATOM 0 HD2 PHE A 7 55.780 37.994 -26.259 1.00 1.00 H new ATOM 0 HE1 PHE A 7 55.091 34.768 -22.555 1.00 1.00 H new ATOM 0 HE2 PHE A 7 57.386 36.136 -25.918 1.00 1.00 H new ATOM 0 HZ PHE A 7 57.040 34.522 -24.068 1.00 1.00 H new ATOM 96 N ASP A 8 55.999 40.844 -24.250 1.00 1.00 N ATOM 97 CA ASP A 8 57.441 41.036 -24.154 1.00 1.00 C ATOM 98 C ASP A 8 57.866 41.171 -22.695 1.00 1.00 C ATOM 99 O ASP A 8 59.055 41.276 -22.393 1.00 1.00 O ATOM 100 CB ASP A 8 57.853 42.291 -24.925 1.00 1.00 C ATOM 101 CG ASP A 8 58.937 41.945 -25.940 1.00 1.00 C ATOM 102 OD1 ASP A 8 60.026 41.592 -25.518 1.00 1.00 O ATOM 103 OD2 ASP A 8 58.662 42.034 -27.125 1.00 1.00 O ATOM 0 H ASP A 8 55.509 41.563 -24.782 1.00 1.00 H new ATOM 0 HA ASP A 8 57.935 40.166 -24.587 1.00 1.00 H new ATOM 0 HB2 ASP A 8 56.988 42.716 -25.434 1.00 1.00 H new ATOM 0 HB3 ASP A 8 58.219 43.049 -24.233 1.00 1.00 H new ATOM 108 N ASN A 9 56.888 41.166 -21.795 1.00 1.00 N ATOM 109 CA ASN A 9 57.174 41.287 -20.371 1.00 1.00 C ATOM 110 C ASN A 9 57.095 39.924 -19.690 1.00 1.00 C ATOM 111 O ASN A 9 57.214 39.822 -18.470 1.00 1.00 O ATOM 112 CB ASN A 9 56.174 42.244 -19.719 1.00 1.00 C ATOM 113 CG ASN A 9 56.663 42.643 -18.331 1.00 1.00 C ATOM 114 OD1 ASN A 9 57.713 43.272 -18.199 1.00 1.00 O ATOM 115 ND2 ASN A 9 55.961 42.312 -17.281 1.00 1.00 N ATOM 0 H ASN A 9 55.898 41.080 -22.024 1.00 1.00 H new ATOM 0 HA ASN A 9 58.184 41.680 -20.254 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.050 43.132 -20.339 1.00 1.00 H new ATOM 0 HB3 ASN A 9 55.196 41.767 -19.646 1.00 1.00 H new ATOM 0 HD21 ASN A 9 56.282 42.575 -16.349 1.00 1.00 H new ATOM 0 HD22 ASN A 9 55.091 41.791 -17.393 1.00 1.00 H new ATOM 122 N TYR A 10 56.889 38.881 -20.490 1.00 1.00 N ATOM 123 CA TYR A 10 56.791 37.524 -19.960 1.00 1.00 C ATOM 124 C TYR A 10 55.476 37.329 -19.211 1.00 1.00 C ATOM 125 O TYR A 10 54.914 36.233 -19.203 1.00 1.00 O ATOM 126 CB TYR A 10 57.962 37.237 -19.016 1.00 1.00 C ATOM 127 CG TYR A 10 59.193 37.971 -19.496 1.00 1.00 C ATOM 128 CD1 TYR A 10 59.579 37.889 -20.839 1.00 1.00 C ATOM 129 CD2 TYR A 10 59.949 38.733 -18.596 1.00 1.00 C ATOM 130 CE1 TYR A 10 60.719 38.570 -21.283 1.00 1.00 C ATOM 131 CE2 TYR A 10 61.089 39.414 -19.040 1.00 1.00 C ATOM 132 CZ TYR A 10 61.475 39.332 -20.384 1.00 1.00 C ATOM 133 OH TYR A 10 62.598 40.002 -20.822 1.00 1.00 O ATOM 0 H TYR A 10 56.787 38.949 -21.503 1.00 1.00 H new ATOM 0 HA TYR A 10 56.825 36.831 -20.800 1.00 1.00 H new ATOM 0 HB2 TYR A 10 57.711 37.551 -18.003 1.00 1.00 H new ATOM 0 HB3 TYR A 10 58.157 36.165 -18.978 1.00 1.00 H new ATOM 0 HD1 TYR A 10 58.997 37.300 -21.533 1.00 1.00 H new ATOM 0 HD2 TYR A 10 59.652 38.795 -17.559 1.00 1.00 H new ATOM 0 HE1 TYR A 10 61.015 38.507 -22.320 1.00 1.00 H new ATOM 0 HE2 TYR A 10 61.671 40.003 -18.346 1.00 1.00 H new ATOM 0 HH TYR A 10 63.005 40.483 -20.072 1.00 1.00 H new ATOM 143 N TYR A 11 54.990 38.393 -18.580 1.00 1.00 N ATOM 144 CA TYR A 11 53.741 38.318 -17.832 1.00 1.00 C ATOM 145 C TYR A 11 53.912 37.398 -16.623 1.00 1.00 C ATOM 146 O TYR A 11 55.016 37.264 -16.100 1.00 1.00 O ATOM 147 CB TYR A 11 52.621 37.810 -18.751 1.00 1.00 C ATOM 148 CG TYR A 11 51.414 38.715 -18.635 1.00 1.00 C ATOM 149 CD1 TYR A 11 50.899 39.042 -17.375 1.00 1.00 C ATOM 150 CD2 TYR A 11 50.812 39.226 -19.791 1.00 1.00 C ATOM 151 CE1 TYR A 11 49.783 39.881 -17.270 1.00 1.00 C ATOM 152 CE2 TYR A 11 49.696 40.066 -19.687 1.00 1.00 C ATOM 153 CZ TYR A 11 49.181 40.392 -18.426 1.00 1.00 C ATOM 154 OH TYR A 11 48.081 41.218 -18.323 1.00 1.00 O ATOM 0 H TYR A 11 55.438 39.310 -18.571 1.00 1.00 H new ATOM 0 HA TYR A 11 53.472 39.310 -17.471 1.00 1.00 H new ATOM 0 HB2 TYR A 11 52.969 37.783 -19.784 1.00 1.00 H new ATOM 0 HB3 TYR A 11 52.350 36.790 -18.480 1.00 1.00 H new ATOM 0 HD1 TYR A 11 51.363 38.647 -16.483 1.00 1.00 H new ATOM 0 HD2 TYR A 11 51.208 38.972 -20.763 1.00 1.00 H new ATOM 0 HE1 TYR A 11 49.387 40.134 -16.298 1.00 1.00 H new ATOM 0 HE2 TYR A 11 49.233 40.462 -20.579 1.00 1.00 H new ATOM 0 HH TYR A 11 47.787 41.485 -19.219 1.00 1.00 H new ATOM 164 N GLY A 12 52.823 36.771 -16.183 1.00 1.00 N ATOM 165 CA GLY A 12 52.881 35.869 -15.038 1.00 1.00 C ATOM 166 C GLY A 12 53.944 34.799 -15.251 1.00 1.00 C ATOM 167 O GLY A 12 53.639 33.675 -15.650 1.00 1.00 O ATOM 0 H GLY A 12 51.897 36.870 -16.599 1.00 1.00 H new ATOM 0 HA2 GLY A 12 53.103 36.435 -14.133 1.00 1.00 H new ATOM 0 HA3 GLY A 12 51.909 35.399 -14.889 1.00 1.00 H new ATOM 171 N ALA A 13 55.193 35.161 -14.989 1.00 1.00 N ATOM 172 CA ALA A 13 56.302 34.234 -15.162 1.00 1.00 C ATOM 173 C ALA A 13 56.434 33.319 -13.949 1.00 1.00 C ATOM 174 O ALA A 13 56.413 32.094 -14.077 1.00 1.00 O ATOM 175 CB ALA A 13 57.601 35.017 -15.361 1.00 1.00 C ATOM 0 H ALA A 13 55.462 36.087 -14.657 1.00 1.00 H new ATOM 0 HA ALA A 13 56.107 33.619 -16.041 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.429 34.321 -15.490 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.514 35.646 -16.247 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.786 35.643 -14.488 1.00 1.00 H new ATOM 181 N ASP A 14 56.568 33.921 -12.771 1.00 1.00 N ATOM 182 CA ASP A 14 56.702 33.151 -11.541 1.00 1.00 C ATOM 183 C ASP A 14 55.497 32.237 -11.347 1.00 1.00 C ATOM 184 O ASP A 14 55.609 31.159 -10.762 1.00 1.00 O ATOM 185 CB ASP A 14 56.828 34.094 -10.344 1.00 1.00 C ATOM 186 CG ASP A 14 55.565 34.942 -10.212 1.00 1.00 C ATOM 187 OD1 ASP A 14 54.905 35.144 -11.217 1.00 1.00 O ATOM 188 OD2 ASP A 14 55.279 35.374 -9.108 1.00 1.00 O ATOM 0 H ASP A 14 56.587 34.933 -12.643 1.00 1.00 H new ATOM 0 HA ASP A 14 57.600 32.538 -11.615 1.00 1.00 H new ATOM 0 HB2 ASP A 14 56.986 33.518 -9.432 1.00 1.00 H new ATOM 0 HB3 ASP A 14 57.698 34.739 -10.469 1.00 1.00 H new ATOM 193 N ASN A 15 54.344 32.673 -11.844 1.00 1.00 N ATOM 194 CA ASN A 15 53.123 31.885 -11.720 1.00 1.00 C ATOM 195 C ASN A 15 53.390 30.426 -12.079 1.00 1.00 C ATOM 196 O ASN A 15 52.763 29.519 -11.533 1.00 1.00 O ATOM 197 CB ASN A 15 52.041 32.450 -12.641 1.00 1.00 C ATOM 198 CG ASN A 15 50.808 32.826 -11.826 1.00 1.00 C ATOM 199 OD1 ASN A 15 50.846 33.777 -11.045 1.00 1.00 O ATOM 200 ND2 ASN A 15 49.711 32.131 -11.960 1.00 1.00 N ATOM 0 H ASN A 15 54.229 33.561 -12.333 1.00 1.00 H new ATOM 0 HA ASN A 15 52.782 31.937 -10.686 1.00 1.00 H new ATOM 0 HB2 ASN A 15 52.420 33.326 -13.167 1.00 1.00 H new ATOM 0 HB3 ASN A 15 51.775 31.713 -13.399 1.00 1.00 H new ATOM 0 HD21 ASN A 15 48.883 32.375 -11.417 1.00 1.00 H new ATOM 0 HD22 ASN A 15 49.682 31.344 -12.608 1.00 1.00 H new ATOM 207 N GLN A 16 54.325 30.211 -12.999 1.00 1.00 N ATOM 208 CA GLN A 16 54.668 28.859 -13.423 1.00 1.00 C ATOM 209 C GLN A 16 55.975 28.412 -12.776 1.00 1.00 C ATOM 210 O GLN A 16 56.818 27.789 -13.423 1.00 1.00 O ATOM 211 CB GLN A 16 54.807 28.809 -14.947 1.00 1.00 C ATOM 212 CG GLN A 16 53.647 29.571 -15.591 1.00 1.00 C ATOM 213 CD GLN A 16 53.402 29.051 -17.002 1.00 1.00 C ATOM 214 OE1 GLN A 16 52.988 27.904 -17.179 1.00 1.00 O ATOM 215 NE2 GLN A 16 53.632 29.829 -18.024 1.00 1.00 N ATOM 0 H GLN A 16 54.855 30.950 -13.462 1.00 1.00 H new ATOM 0 HA GLN A 16 53.871 28.185 -13.109 1.00 1.00 H new ATOM 0 HB2 GLN A 16 55.757 29.248 -15.251 1.00 1.00 H new ATOM 0 HB3 GLN A 16 54.810 27.774 -15.289 1.00 1.00 H new ATOM 0 HG2 GLN A 16 52.746 29.454 -14.990 1.00 1.00 H new ATOM 0 HG3 GLN A 16 53.873 30.637 -15.621 1.00 1.00 H new ATOM 0 HE21 GLN A 16 53.975 30.778 -17.875 1.00 1.00 H new ATOM 0 HE22 GLN A 16 53.469 29.488 -18.971 1.00 1.00 H new ATOM 224 N SER A 17 56.135 28.732 -11.497 1.00 1.00 N ATOM 225 CA SER A 17 57.343 28.358 -10.771 1.00 1.00 C ATOM 226 C SER A 17 57.136 27.043 -10.026 1.00 1.00 C ATOM 227 O SER A 17 57.434 26.938 -8.837 1.00 1.00 O ATOM 228 CB SER A 17 57.715 29.457 -9.775 1.00 1.00 C ATOM 229 OG SER A 17 58.265 30.562 -10.479 1.00 1.00 O ATOM 0 H SER A 17 55.449 29.246 -10.944 1.00 1.00 H new ATOM 0 HA SER A 17 58.152 28.231 -11.491 1.00 1.00 H new ATOM 0 HB2 SER A 17 56.834 29.770 -9.215 1.00 1.00 H new ATOM 0 HB3 SER A 17 58.435 29.078 -9.050 1.00 1.00 H new ATOM 0 HG SER A 17 58.503 31.269 -9.844 1.00 1.00 H new ATOM 235 N GLU A 18 56.625 26.041 -10.735 1.00 1.00 N ATOM 236 CA GLU A 18 56.383 24.737 -10.132 1.00 1.00 C ATOM 237 C GLU A 18 55.718 24.892 -8.767 1.00 1.00 C ATOM 238 O GLU A 18 56.103 24.236 -7.801 1.00 1.00 O ATOM 239 CB GLU A 18 57.705 23.982 -9.974 1.00 1.00 C ATOM 240 CG GLU A 18 57.446 22.476 -10.061 1.00 1.00 C ATOM 241 CD GLU A 18 58.709 21.708 -9.684 1.00 1.00 C ATOM 242 OE1 GLU A 18 59.781 22.144 -10.072 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.585 20.697 -9.013 1.00 1.00 O ATOM 0 H GLU A 18 56.372 26.107 -11.721 1.00 1.00 H new ATOM 0 HA GLU A 18 55.718 24.173 -10.786 1.00 1.00 H new ATOM 0 HB2 GLU A 18 58.405 24.287 -10.752 1.00 1.00 H new ATOM 0 HB3 GLU A 18 58.165 24.228 -9.017 1.00 1.00 H new ATOM 0 HG2 GLU A 18 56.629 22.200 -9.394 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.136 22.209 -11.071 1.00 1.00 H new ATOM 250 N CYS A 19 54.718 25.764 -8.698 1.00 1.00 N ATOM 251 CA CYS A 19 54.006 25.997 -7.447 1.00 1.00 C ATOM 252 C CYS A 19 52.867 24.995 -7.284 1.00 1.00 C ATOM 253 O CYS A 19 52.878 24.173 -6.369 1.00 1.00 O ATOM 254 CB CYS A 19 53.444 27.420 -7.423 1.00 1.00 C ATOM 255 SG CYS A 19 54.758 28.596 -7.830 1.00 1.00 S ATOM 0 H CYS A 19 54.384 26.317 -9.487 1.00 1.00 H new ATOM 0 HA CYS A 19 54.707 25.870 -6.622 1.00 1.00 H new ATOM 0 HB2 CYS A 19 52.626 27.511 -8.137 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.034 27.644 -6.438 1.00 1.00 H new ATOM 0 HG CYS A 19 54.280 29.805 -7.812 1.00 1.00 H new ATOM 261 N GLU A 20 51.887 25.071 -8.178 1.00 1.00 N ATOM 262 CA GLU A 20 50.745 24.165 -8.123 1.00 1.00 C ATOM 263 C GLU A 20 50.279 23.806 -9.531 1.00 1.00 C ATOM 264 O GLU A 20 49.154 24.119 -9.921 1.00 1.00 O ATOM 265 CB GLU A 20 49.596 24.819 -7.355 1.00 1.00 C ATOM 266 CG GLU A 20 49.850 24.696 -5.852 1.00 1.00 C ATOM 267 CD GLU A 20 48.738 25.393 -5.077 1.00 1.00 C ATOM 268 OE1 GLU A 20 48.413 26.516 -5.427 1.00 1.00 O ATOM 269 OE2 GLU A 20 48.227 24.795 -4.144 1.00 1.00 O ATOM 0 H GLU A 20 51.860 25.745 -8.943 1.00 1.00 H new ATOM 0 HA GLU A 20 51.052 23.254 -7.610 1.00 1.00 H new ATOM 0 HB2 GLU A 20 49.509 25.869 -7.635 1.00 1.00 H new ATOM 0 HB3 GLU A 20 48.652 24.340 -7.615 1.00 1.00 H new ATOM 0 HG2 GLU A 20 49.899 23.645 -5.568 1.00 1.00 H new ATOM 0 HG3 GLU A 20 50.813 25.139 -5.600 1.00 1.00 H new ATOM 276 N TYR A 21 51.151 23.148 -10.288 1.00 1.00 N ATOM 277 CA TYR A 21 50.817 22.752 -11.652 1.00 1.00 C ATOM 278 C TYR A 21 51.467 21.415 -11.996 1.00 1.00 C ATOM 279 O TYR A 21 51.819 21.163 -13.148 1.00 1.00 O ATOM 280 CB TYR A 21 51.291 23.821 -12.637 1.00 1.00 C ATOM 281 CG TYR A 21 50.714 25.160 -12.243 1.00 1.00 C ATOM 282 CD1 TYR A 21 51.335 25.922 -11.245 1.00 1.00 C ATOM 283 CD2 TYR A 21 49.562 25.640 -12.876 1.00 1.00 C ATOM 284 CE1 TYR A 21 50.800 27.163 -10.879 1.00 1.00 C ATOM 285 CE2 TYR A 21 49.029 26.881 -12.510 1.00 1.00 C ATOM 286 CZ TYR A 21 49.648 27.644 -11.512 1.00 1.00 C ATOM 287 OH TYR A 21 49.122 28.867 -11.151 1.00 1.00 O ATOM 0 H TYR A 21 52.087 22.879 -9.984 1.00 1.00 H new ATOM 0 HA TYR A 21 49.735 22.646 -11.725 1.00 1.00 H new ATOM 0 HB2 TYR A 21 52.380 23.869 -12.641 1.00 1.00 H new ATOM 0 HB3 TYR A 21 50.979 23.562 -13.649 1.00 1.00 H new ATOM 0 HD1 TYR A 21 52.226 25.553 -10.758 1.00 1.00 H new ATOM 0 HD2 TYR A 21 49.085 25.053 -13.647 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.277 27.750 -10.108 1.00 1.00 H new ATOM 0 HE2 TYR A 21 48.139 27.251 -12.998 1.00 1.00 H new ATOM 0 HH TYR A 21 48.323 29.051 -11.688 1.00 1.00 H new ATOM 297 N THR A 22 51.624 20.562 -10.988 1.00 1.00 N ATOM 298 CA THR A 22 52.233 19.254 -11.196 1.00 1.00 C ATOM 299 C THR A 22 52.092 18.392 -9.945 1.00 1.00 C ATOM 300 O THR A 22 51.689 17.231 -10.023 1.00 1.00 O ATOM 301 CB THR A 22 53.715 19.416 -11.542 1.00 1.00 C ATOM 302 OG1 THR A 22 54.440 18.297 -11.052 1.00 1.00 O ATOM 303 CG2 THR A 22 54.254 20.696 -10.902 1.00 1.00 C ATOM 0 H THR A 22 51.340 20.751 -10.027 1.00 1.00 H new ATOM 0 HA THR A 22 51.719 18.763 -12.022 1.00 1.00 H new ATOM 0 HB THR A 22 53.830 19.478 -12.624 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.389 18.399 -11.275 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.309 20.810 -11.149 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.698 21.554 -11.280 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.139 20.638 -9.820 1.00 1.00 H new ATOM 311 N ASP A 23 52.427 18.967 -8.795 1.00 1.00 N ATOM 312 CA ASP A 23 52.333 18.241 -7.534 1.00 1.00 C ATOM 313 C ASP A 23 50.927 18.356 -6.953 1.00 1.00 C ATOM 314 O ASP A 23 50.756 18.505 -5.743 1.00 1.00 O ATOM 315 CB ASP A 23 53.348 18.798 -6.534 1.00 1.00 C ATOM 316 CG ASP A 23 53.583 17.791 -5.413 1.00 1.00 C ATOM 317 OD1 ASP A 23 54.131 16.738 -5.694 1.00 1.00 O ATOM 318 OD2 ASP A 23 53.209 18.088 -4.290 1.00 1.00 O ATOM 0 H ASP A 23 52.764 19.926 -8.710 1.00 1.00 H new ATOM 0 HA ASP A 23 52.550 17.190 -7.724 1.00 1.00 H new ATOM 0 HB2 ASP A 23 54.288 19.016 -7.041 1.00 1.00 H new ATOM 0 HB3 ASP A 23 52.984 19.738 -6.119 1.00 1.00 H new ATOM 323 N TRP A 24 49.926 18.286 -7.823 1.00 1.00 N ATOM 324 CA TRP A 24 48.538 18.383 -7.384 1.00 1.00 C ATOM 325 C TRP A 24 47.591 17.995 -8.514 1.00 1.00 C ATOM 326 O TRP A 24 46.438 18.426 -8.546 1.00 1.00 O ATOM 327 CB TRP A 24 48.233 19.811 -6.928 1.00 1.00 C ATOM 328 CG TRP A 24 47.809 20.631 -8.104 1.00 1.00 C ATOM 329 CD1 TRP A 24 48.645 21.135 -9.041 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.467 21.049 -8.485 1.00 1.00 C ATOM 331 NE1 TRP A 24 47.902 21.837 -9.972 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.553 21.813 -9.673 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.195 20.843 -7.921 1.00 1.00 C ATOM 334 CZ2 TRP A 24 45.418 22.353 -10.280 1.00 1.00 C ATOM 335 CZ3 TRP A 24 44.050 21.386 -8.529 1.00 1.00 C ATOM 336 CH2 TRP A 24 44.162 22.139 -9.706 1.00 1.00 C ATOM 0 H TRP A 24 50.047 18.163 -8.828 1.00 1.00 H new ATOM 0 HA TRP A 24 48.391 17.697 -6.550 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.446 19.803 -6.174 1.00 1.00 H new ATOM 0 HB3 TRP A 24 49.115 20.252 -6.463 1.00 1.00 H new ATOM 0 HD1 TRP A 24 49.718 21.009 -9.059 1.00 1.00 H new ATOM 0 HE1 TRP A 24 48.301 22.314 -10.781 1.00 1.00 H new ATOM 0 HE3 TRP A 24 45.097 20.264 -7.015 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 45.510 22.932 -11.187 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 43.078 21.222 -8.087 1.00 1.00 H new ATOM 0 HH2 TRP A 24 43.278 22.553 -10.169 1.00 1.00 H new ATOM 347 N LYS A 25 48.085 17.179 -9.439 1.00 1.00 N ATOM 348 CA LYS A 25 47.274 16.738 -10.568 1.00 1.00 C ATOM 349 C LYS A 25 45.858 16.401 -10.112 1.00 1.00 C ATOM 350 O LYS A 25 44.888 16.658 -10.825 1.00 1.00 O ATOM 351 CB LYS A 25 47.910 15.508 -11.218 1.00 1.00 C ATOM 352 CG LYS A 25 48.040 15.733 -12.727 1.00 1.00 C ATOM 353 CD LYS A 25 49.113 16.791 -12.998 1.00 1.00 C ATOM 354 CE LYS A 25 48.543 17.874 -13.916 1.00 1.00 C ATOM 355 NZ LYS A 25 47.912 17.234 -15.105 1.00 1.00 N ATOM 0 H LYS A 25 49.037 16.812 -9.430 1.00 1.00 H new ATOM 0 HA LYS A 25 47.225 17.549 -11.295 1.00 1.00 H new ATOM 0 HB2 LYS A 25 48.891 15.321 -10.782 1.00 1.00 H new ATOM 0 HB3 LYS A 25 47.301 14.625 -11.023 1.00 1.00 H new ATOM 0 HG2 LYS A 25 48.303 14.799 -13.223 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.084 16.055 -13.140 1.00 1.00 H new ATOM 0 HD2 LYS A 25 49.447 17.234 -12.060 1.00 1.00 H new ATOM 0 HD3 LYS A 25 49.985 16.329 -13.461 1.00 1.00 H new ATOM 0 HE2 LYS A 25 47.807 18.472 -13.378 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.336 18.552 -14.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 48.029 17.851 -15.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 48.368 16.317 -15.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 46.899 17.086 -14.923 1.00 1.00 H new ATOM 369 N SER A 26 45.747 15.824 -8.920 1.00 1.00 N ATOM 370 CA SER A 26 44.444 15.455 -8.379 1.00 1.00 C ATOM 371 C SER A 26 43.947 14.161 -9.015 1.00 1.00 C ATOM 372 O SER A 26 43.577 14.138 -10.188 1.00 1.00 O ATOM 373 CB SER A 26 43.435 16.575 -8.639 1.00 1.00 C ATOM 374 OG SER A 26 44.124 17.814 -8.739 1.00 1.00 O ATOM 0 H SER A 26 46.537 15.603 -8.314 1.00 1.00 H new ATOM 0 HA SER A 26 44.547 15.302 -7.305 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.884 16.377 -9.558 1.00 1.00 H new ATOM 0 HB3 SER A 26 42.704 16.616 -7.831 1.00 1.00 H new ATOM 0 HG SER A 26 44.883 17.817 -8.119 1.00 1.00 H new ATOM 380 N SER A 27 43.944 13.087 -8.233 1.00 1.00 N ATOM 381 CA SER A 27 43.492 11.793 -8.732 1.00 1.00 C ATOM 382 C SER A 27 41.974 11.677 -8.629 1.00 1.00 C ATOM 383 O SER A 27 41.451 10.677 -8.137 1.00 1.00 O ATOM 384 CB SER A 27 44.146 10.669 -7.930 1.00 1.00 C ATOM 385 OG SER A 27 44.255 9.510 -8.747 1.00 1.00 O ATOM 0 H SER A 27 44.247 13.086 -7.259 1.00 1.00 H new ATOM 0 HA SER A 27 43.780 11.708 -9.780 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.133 10.979 -7.585 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.553 10.448 -7.042 1.00 1.00 H new ATOM 0 HG SER A 27 44.676 8.788 -8.236 1.00 1.00 H new ATOM 391 N GLY A 28 41.272 12.704 -9.098 1.00 1.00 N ATOM 392 CA GLY A 28 39.815 12.703 -9.053 1.00 1.00 C ATOM 393 C GLY A 28 39.270 14.121 -8.937 1.00 1.00 C ATOM 394 O GLY A 28 38.251 14.455 -9.543 1.00 1.00 O ATOM 0 H GLY A 28 41.685 13.541 -9.510 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.420 12.231 -9.953 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.474 12.108 -8.205 1.00 1.00 H new ATOM 398 N ALA A 29 39.956 14.950 -8.153 1.00 1.00 N ATOM 399 CA ALA A 29 39.543 16.338 -7.954 1.00 1.00 C ATOM 400 C ALA A 29 38.467 16.442 -6.874 1.00 1.00 C ATOM 401 O ALA A 29 37.442 17.096 -7.066 1.00 1.00 O ATOM 402 CB ALA A 29 39.020 16.930 -9.266 1.00 1.00 C ATOM 0 H ALA A 29 40.800 14.685 -7.645 1.00 1.00 H new ATOM 0 HA ALA A 29 40.415 16.904 -7.627 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.716 17.964 -9.103 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.807 16.898 -10.019 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.164 16.350 -9.611 1.00 1.00 H new ATOM 408 N LEU A 30 38.716 15.806 -5.733 1.00 1.00 N ATOM 409 CA LEU A 30 37.767 15.847 -4.625 1.00 1.00 C ATOM 410 C LEU A 30 38.469 15.525 -3.308 1.00 1.00 C ATOM 411 O LEU A 30 37.828 15.155 -2.325 1.00 1.00 O ATOM 412 CB LEU A 30 36.609 14.864 -4.864 1.00 1.00 C ATOM 413 CG LEU A 30 37.100 13.411 -4.793 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.921 12.470 -5.043 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.167 13.174 -5.863 1.00 1.00 C ATOM 0 H LEU A 30 39.559 15.261 -5.552 1.00 1.00 H new ATOM 0 HA LEU A 30 37.357 16.855 -4.565 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.830 15.026 -4.119 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.161 15.054 -5.840 1.00 1.00 H new ATOM 0 HG LEU A 30 37.526 13.220 -3.808 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.264 11.436 -4.994 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.156 12.635 -4.284 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.501 12.667 -6.030 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.513 12.142 -5.809 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.742 13.364 -6.849 1.00 1.00 H new ATOM 0 HD23 LEU A 30 39.007 13.848 -5.694 1.00 1.00 H new ATOM 427 N ILE A 31 39.790 15.670 -3.298 1.00 1.00 N ATOM 428 CA ILE A 31 40.569 15.396 -2.096 1.00 1.00 C ATOM 429 C ILE A 31 40.327 16.459 -1.023 1.00 1.00 C ATOM 430 O ILE A 31 40.263 16.140 0.164 1.00 1.00 O ATOM 431 CB ILE A 31 42.062 15.334 -2.429 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.247 14.987 -3.910 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.730 14.259 -1.570 1.00 1.00 C ATOM 434 CD1 ILE A 31 43.652 14.423 -4.130 1.00 1.00 C ATOM 0 H ILE A 31 40.340 15.973 -4.102 1.00 1.00 H new ATOM 0 HA ILE A 31 40.245 14.431 -1.706 1.00 1.00 H new ATOM 0 HB ILE A 31 42.517 16.303 -2.225 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.498 14.258 -4.220 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.100 15.876 -4.524 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.793 14.213 -1.806 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.602 14.504 -0.516 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.271 13.292 -1.775 1.00 1.00 H new ATOM 0 HD11 ILE A 31 43.784 14.176 -5.183 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.393 15.167 -3.836 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.782 13.524 -3.528 1.00 1.00 H new ATOM 446 N PRO A 32 40.194 17.709 -1.404 1.00 1.00 N ATOM 447 CA PRO A 32 39.960 18.812 -0.438 1.00 1.00 C ATOM 448 C PRO A 32 38.483 18.961 -0.086 1.00 1.00 C ATOM 449 O PRO A 32 38.062 19.986 0.452 1.00 1.00 O ATOM 450 CB PRO A 32 40.483 20.049 -1.169 1.00 1.00 C ATOM 451 CG PRO A 32 40.438 19.728 -2.633 1.00 1.00 C ATOM 452 CD PRO A 32 40.248 18.213 -2.784 1.00 1.00 C ATOM 0 HA PRO A 32 40.458 18.638 0.516 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.869 20.921 -0.944 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.500 20.285 -0.854 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.620 20.264 -3.115 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.359 20.046 -3.121 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.332 17.980 -3.328 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.071 17.763 -3.339 1.00 1.00 H new ATOM 460 N ALA A 33 37.705 17.926 -0.391 1.00 1.00 N ATOM 461 CA ALA A 33 36.273 17.936 -0.104 1.00 1.00 C ATOM 462 C ALA A 33 35.897 16.740 0.765 1.00 1.00 C ATOM 463 O ALA A 33 34.866 16.750 1.440 1.00 1.00 O ATOM 464 CB ALA A 33 35.478 17.887 -1.411 1.00 1.00 C ATOM 0 H ALA A 33 38.041 17.072 -0.836 1.00 1.00 H new ATOM 0 HA ALA A 33 36.034 18.854 0.432 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.411 17.895 -1.188 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.728 18.755 -2.021 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.728 16.976 -1.955 1.00 1.00 H new ATOM 470 N ILE A 34 36.740 15.712 0.743 1.00 1.00 N ATOM 471 CA ILE A 34 36.493 14.510 1.532 1.00 1.00 C ATOM 472 C ILE A 34 37.429 14.466 2.736 1.00 1.00 C ATOM 473 O ILE A 34 36.985 14.513 3.883 1.00 1.00 O ATOM 474 CB ILE A 34 36.704 13.264 0.664 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.415 12.947 -0.100 1.00 1.00 C ATOM 476 CG2 ILE A 34 37.070 12.069 1.548 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.936 14.192 -0.847 1.00 1.00 C ATOM 0 H ILE A 34 37.597 15.687 0.190 1.00 1.00 H new ATOM 0 HA ILE A 34 35.463 14.530 1.888 1.00 1.00 H new ATOM 0 HB ILE A 34 37.513 13.455 -0.041 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.590 12.134 -0.804 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.645 12.609 0.593 1.00 1.00 H new ATOM 0 HG21 ILE A 34 37.218 11.187 0.925 1.00 1.00 H new ATOM 0 HG22 ILE A 34 37.989 12.287 2.093 1.00 1.00 H new ATOM 0 HG23 ILE A 34 36.264 11.881 2.257 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.019 13.961 -1.389 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.744 14.993 -0.133 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.703 14.511 -1.552 1.00 1.00 H new ATOM 489 N TYR A 35 38.729 14.377 2.466 1.00 1.00 N ATOM 490 CA TYR A 35 39.720 14.328 3.534 1.00 1.00 C ATOM 491 C TYR A 35 39.432 15.397 4.584 1.00 1.00 C ATOM 492 O TYR A 35 39.600 15.167 5.781 1.00 1.00 O ATOM 493 CB TYR A 35 41.120 14.541 2.959 1.00 1.00 C ATOM 494 CG TYR A 35 41.779 15.708 3.656 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.551 17.013 3.204 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.616 15.485 4.755 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.160 18.095 3.850 1.00 1.00 C ATOM 498 CE2 TYR A 35 43.225 16.566 5.402 1.00 1.00 C ATOM 499 CZ TYR A 35 42.998 17.871 4.949 1.00 1.00 C ATOM 500 OH TYR A 35 43.599 18.938 5.587 1.00 1.00 O ATOM 0 H TYR A 35 39.117 14.338 1.524 1.00 1.00 H new ATOM 0 HA TYR A 35 39.667 13.347 4.006 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.719 13.640 3.090 1.00 1.00 H new ATOM 0 HB3 TYR A 35 41.060 14.731 1.887 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.905 17.185 2.356 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.792 14.478 5.104 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.984 19.102 3.501 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.870 16.394 6.251 1.00 1.00 H new ATOM 0 HH TYR A 35 44.147 18.609 6.330 1.00 1.00 H new ATOM 510 N MET A 36 38.997 16.566 4.124 1.00 1.00 N ATOM 511 CA MET A 36 38.690 17.665 5.031 1.00 1.00 C ATOM 512 C MET A 36 37.335 17.450 5.697 1.00 1.00 C ATOM 513 O MET A 36 37.213 17.531 6.919 1.00 1.00 O ATOM 514 CB MET A 36 38.678 18.987 4.261 1.00 1.00 C ATOM 515 CG MET A 36 38.596 20.154 5.245 1.00 1.00 C ATOM 516 SD MET A 36 40.160 21.062 5.236 1.00 1.00 S ATOM 517 CE MET A 36 39.878 21.985 3.705 1.00 1.00 C ATOM 0 H MET A 36 38.850 16.775 3.137 1.00 1.00 H new ATOM 0 HA MET A 36 39.459 17.700 5.803 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.579 19.073 3.653 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.829 19.014 3.578 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.776 20.818 4.971 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.384 19.784 6.248 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.737 22.624 3.502 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.742 21.287 2.879 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.985 22.601 3.811 1.00 1.00 H new ATOM 527 N LEU A 37 36.320 17.174 4.885 1.00 1.00 N ATOM 528 CA LEU A 37 34.976 16.948 5.408 1.00 1.00 C ATOM 529 C LEU A 37 34.875 15.570 6.053 1.00 1.00 C ATOM 530 O LEU A 37 33.813 14.947 6.045 1.00 1.00 O ATOM 531 CB LEU A 37 33.951 17.063 4.278 1.00 1.00 C ATOM 532 CG LEU A 37 34.166 18.375 3.520 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.142 18.488 2.390 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.993 19.554 4.482 1.00 1.00 C ATOM 0 H LEU A 37 36.400 17.102 3.871 1.00 1.00 H new ATOM 0 HA LEU A 37 34.769 17.705 6.165 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.049 16.218 3.597 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.941 17.028 4.685 1.00 1.00 H new ATOM 0 HG LEU A 37 35.172 18.390 3.101 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.296 19.423 1.851 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.263 17.650 1.704 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.136 18.472 2.808 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.146 20.489 3.943 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.987 19.537 4.901 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.723 19.476 5.288 1.00 1.00 H new ATOM 546 N VAL A 38 35.986 15.098 6.610 1.00 1.00 N ATOM 547 CA VAL A 38 36.009 13.792 7.259 1.00 1.00 C ATOM 548 C VAL A 38 36.935 13.811 8.470 1.00 1.00 C ATOM 549 O VAL A 38 36.802 12.990 9.378 1.00 1.00 O ATOM 550 CB VAL A 38 36.482 12.725 6.269 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.852 11.450 7.031 1.00 1.00 C ATOM 552 CG2 VAL A 38 35.359 12.416 5.277 1.00 1.00 C ATOM 0 H VAL A 38 36.876 15.596 6.625 1.00 1.00 H new ATOM 0 HA VAL A 38 34.999 13.556 7.593 1.00 1.00 H new ATOM 0 HB VAL A 38 37.354 13.093 5.729 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.189 10.690 6.326 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.651 11.668 7.739 1.00 1.00 H new ATOM 0 HG13 VAL A 38 35.979 11.083 7.571 1.00 1.00 H new ATOM 0 HG21 VAL A 38 35.695 11.656 4.572 1.00 1.00 H new ATOM 0 HG22 VAL A 38 34.487 12.048 5.818 1.00 1.00 H new ATOM 0 HG23 VAL A 38 35.094 13.323 4.734 1.00 1.00 H new ATOM 562 N PHE A 39 37.872 14.753 8.477 1.00 1.00 N ATOM 563 CA PHE A 39 38.815 14.870 9.584 1.00 1.00 C ATOM 564 C PHE A 39 38.153 15.548 10.780 1.00 1.00 C ATOM 565 O PHE A 39 38.249 15.068 11.909 1.00 1.00 O ATOM 566 CB PHE A 39 40.036 15.681 9.147 1.00 1.00 C ATOM 567 CG PHE A 39 40.650 16.354 10.351 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.939 15.605 11.498 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.931 17.726 10.321 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.508 16.228 12.616 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.500 18.347 11.439 1.00 1.00 C ATOM 572 CZ PHE A 39 41.789 17.599 12.586 1.00 1.00 C ATOM 0 H PHE A 39 37.999 15.442 7.735 1.00 1.00 H new ATOM 0 HA PHE A 39 39.131 13.868 9.876 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.767 15.029 8.669 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.745 16.428 8.409 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.723 14.547 11.521 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.709 18.304 9.436 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.730 15.651 13.501 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.716 19.405 11.416 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.229 18.079 13.448 1.00 1.00 H new ATOM 582 N LEU A 40 37.481 16.666 10.522 1.00 1.00 N ATOM 583 CA LEU A 40 36.806 17.401 11.584 1.00 1.00 C ATOM 584 C LEU A 40 35.305 17.129 11.553 1.00 1.00 C ATOM 585 O LEU A 40 34.534 17.764 12.272 1.00 1.00 O ATOM 586 CB LEU A 40 37.057 18.903 11.419 1.00 1.00 C ATOM 587 CG LEU A 40 36.481 19.374 10.084 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.267 20.269 10.339 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.546 20.165 9.321 1.00 1.00 C ATOM 0 H LEU A 40 37.390 17.079 9.594 1.00 1.00 H new ATOM 0 HA LEU A 40 37.205 17.068 12.542 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.595 19.452 12.240 1.00 1.00 H new ATOM 0 HB3 LEU A 40 38.126 19.110 11.459 1.00 1.00 H new ATOM 0 HG LEU A 40 36.177 18.509 9.494 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.856 20.605 9.387 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.508 19.707 10.883 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.570 21.134 10.929 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.137 20.502 8.369 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.850 21.030 9.911 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.412 19.528 9.139 1.00 1.00 H new ATOM 601 N LEU A 41 34.899 16.181 10.714 1.00 1.00 N ATOM 602 CA LEU A 41 33.488 15.831 10.597 1.00 1.00 C ATOM 603 C LEU A 41 33.314 14.318 10.527 1.00 1.00 C ATOM 604 O LEU A 41 32.255 13.823 10.141 1.00 1.00 O ATOM 605 CB LEU A 41 32.895 16.475 9.342 1.00 1.00 C ATOM 606 CG LEU A 41 31.887 17.551 9.747 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.437 18.324 8.506 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.671 16.893 10.404 1.00 1.00 C ATOM 0 H LEU A 41 35.522 15.645 10.109 1.00 1.00 H new ATOM 0 HA LEU A 41 32.966 16.203 11.478 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.688 16.914 8.737 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.407 15.718 8.728 1.00 1.00 H new ATOM 0 HG LEU A 41 32.356 18.237 10.453 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.718 19.091 8.796 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.301 18.795 8.037 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.970 17.638 7.799 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.953 17.661 10.692 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.204 16.206 9.699 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.989 16.343 11.290 1.00 1.00 H new ATOM 620 N GLY A 42 34.361 13.589 10.902 1.00 1.00 N ATOM 621 CA GLY A 42 34.316 12.131 10.878 1.00 1.00 C ATOM 622 C GLY A 42 34.903 11.549 12.159 1.00 1.00 C ATOM 623 O GLY A 42 34.968 10.331 12.326 1.00 1.00 O ATOM 0 H GLY A 42 35.246 13.981 11.224 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.285 11.797 10.761 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.872 11.760 10.017 1.00 1.00 H new ATOM 627 N THR A 43 35.330 12.427 13.060 1.00 1.00 N ATOM 628 CA THR A 43 35.910 11.990 14.324 1.00 1.00 C ATOM 629 C THR A 43 35.639 13.019 15.417 1.00 1.00 C ATOM 630 O THR A 43 35.166 12.678 16.501 1.00 1.00 O ATOM 631 CB THR A 43 37.419 11.794 14.168 1.00 1.00 C ATOM 632 OG1 THR A 43 37.670 10.527 13.575 1.00 1.00 O ATOM 633 CG2 THR A 43 38.090 11.860 15.541 1.00 1.00 C ATOM 0 H THR A 43 35.286 13.439 12.940 1.00 1.00 H new ATOM 0 HA THR A 43 35.450 11.043 14.607 1.00 1.00 H new ATOM 0 HB THR A 43 37.825 12.581 13.532 1.00 1.00 H new ATOM 0 HG1 THR A 43 36.852 10.198 13.148 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.165 11.720 15.428 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.896 12.832 15.994 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.687 11.075 16.181 1.00 1.00 H new ATOM 641 N THR A 44 35.941 14.278 15.122 1.00 1.00 N ATOM 642 CA THR A 44 35.725 15.351 16.085 1.00 1.00 C ATOM 643 C THR A 44 34.239 15.503 16.389 1.00 1.00 C ATOM 644 O THR A 44 33.855 16.194 17.334 1.00 1.00 O ATOM 645 CB THR A 44 36.273 16.667 15.529 1.00 1.00 C ATOM 646 OG1 THR A 44 37.692 16.653 15.592 1.00 1.00 O ATOM 647 CG2 THR A 44 35.735 17.837 16.355 1.00 1.00 C ATOM 0 H THR A 44 36.333 14.580 14.230 1.00 1.00 H new ATOM 0 HA THR A 44 36.249 15.101 17.007 1.00 1.00 H new ATOM 0 HB THR A 44 35.957 16.782 14.492 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.044 17.495 15.234 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.126 18.773 15.957 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.646 17.848 16.304 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.048 17.724 17.393 1.00 1.00 H new ATOM 655 N GLY A 45 33.406 14.852 15.582 1.00 1.00 N ATOM 656 CA GLY A 45 31.962 14.921 15.772 1.00 1.00 C ATOM 657 C GLY A 45 31.604 14.849 17.253 1.00 1.00 C ATOM 658 O GLY A 45 31.059 15.799 17.817 1.00 1.00 O ATOM 0 H GLY A 45 33.704 14.275 14.796 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.579 15.848 15.346 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.481 14.102 15.237 1.00 1.00 H new ATOM 662 N ASN A 46 31.913 13.718 17.877 1.00 1.00 N ATOM 663 CA ASN A 46 31.620 13.535 19.293 1.00 1.00 C ATOM 664 C ASN A 46 32.495 12.434 19.885 1.00 1.00 C ATOM 665 O ASN A 46 33.700 12.612 20.056 1.00 1.00 O ATOM 666 CB ASN A 46 30.144 13.173 19.476 1.00 1.00 C ATOM 667 CG ASN A 46 29.834 12.990 20.958 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.440 13.738 21.839 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.017 12.145 21.323 1.00 1.00 N flip ATOM 0 H ASN A 46 32.363 12.920 17.429 1.00 1.00 H new ATOM 0 HA ASN A 46 31.833 14.469 19.813 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.514 13.958 19.058 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.915 12.257 18.932 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.544 11.561 20.633 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.813 12.029 22.316 1.00 1.00 H new ATOM 676 N GLY A 47 31.879 11.298 20.198 1.00 1.00 N ATOM 677 CA GLY A 47 32.613 10.178 20.772 1.00 1.00 C ATOM 678 C GLY A 47 33.675 9.671 19.806 1.00 1.00 C ATOM 679 O GLY A 47 34.464 10.449 19.272 1.00 1.00 O ATOM 0 H GLY A 47 30.882 11.130 20.065 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.083 10.487 21.706 1.00 1.00 H new ATOM 0 HA3 GLY A 47 31.922 9.371 21.015 1.00 1.00 H new ATOM 683 N LEU A 48 33.690 8.358 19.592 1.00 1.00 N ATOM 684 CA LEU A 48 34.661 7.741 18.691 1.00 1.00 C ATOM 685 C LEU A 48 36.082 7.908 19.224 1.00 1.00 C ATOM 686 O LEU A 48 37.025 7.329 18.685 1.00 1.00 O ATOM 687 CB LEU A 48 34.566 8.360 17.295 1.00 1.00 C ATOM 688 CG LEU A 48 33.098 8.508 16.882 1.00 1.00 C ATOM 689 CD1 LEU A 48 33.020 8.828 15.388 1.00 1.00 C ATOM 690 CD2 LEU A 48 32.351 7.201 17.158 1.00 1.00 C ATOM 0 H LEU A 48 33.043 7.702 20.029 1.00 1.00 H new ATOM 0 HA LEU A 48 34.429 6.678 18.630 1.00 1.00 H new ATOM 0 HB2 LEU A 48 35.054 9.335 17.287 1.00 1.00 H new ATOM 0 HB3 LEU A 48 35.093 7.734 16.575 1.00 1.00 H new ATOM 0 HG LEU A 48 32.642 9.315 17.455 1.00 1.00 H new ATOM 0 HD11 LEU A 48 31.976 8.934 15.093 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.550 9.759 15.187 1.00 1.00 H new ATOM 0 HD13 LEU A 48 33.478 8.020 14.818 1.00 1.00 H new ATOM 0 HD21 LEU A 48 31.307 7.309 16.863 1.00 1.00 H new ATOM 0 HD22 LEU A 48 32.808 6.393 16.586 1.00 1.00 H new ATOM 0 HD23 LEU A 48 32.405 6.968 18.221 1.00 1.00 H new ATOM 702 N VAL A 49 36.224 8.694 20.290 1.00 1.00 N ATOM 703 CA VAL A 49 37.531 8.925 20.901 1.00 1.00 C ATOM 704 C VAL A 49 37.533 8.401 22.334 1.00 1.00 C ATOM 705 O VAL A 49 38.567 7.968 22.844 1.00 1.00 O ATOM 706 CB VAL A 49 37.887 10.420 20.881 1.00 1.00 C ATOM 707 CG1 VAL A 49 36.630 11.278 21.064 1.00 1.00 C ATOM 708 CG2 VAL A 49 38.877 10.729 22.010 1.00 1.00 C ATOM 0 H VAL A 49 35.452 9.180 20.747 1.00 1.00 H new ATOM 0 HA VAL A 49 38.284 8.389 20.323 1.00 1.00 H new ATOM 0 HB VAL A 49 38.338 10.655 19.917 1.00 1.00 H new ATOM 0 HG11 VAL A 49 36.904 12.333 21.047 1.00 1.00 H new ATOM 0 HG12 VAL A 49 35.928 11.072 20.256 1.00 1.00 H new ATOM 0 HG13 VAL A 49 36.163 11.040 22.020 1.00 1.00 H new ATOM 0 HG21 VAL A 49 39.128 11.790 21.994 1.00 1.00 H new ATOM 0 HG22 VAL A 49 38.425 10.478 22.969 1.00 1.00 H new ATOM 0 HG23 VAL A 49 39.783 10.140 21.871 1.00 1.00 H new ATOM 718 N LEU A 50 36.363 8.426 22.968 1.00 1.00 N ATOM 719 CA LEU A 50 36.227 7.931 24.335 1.00 1.00 C ATOM 720 C LEU A 50 35.097 6.912 24.410 1.00 1.00 C ATOM 721 O LEU A 50 34.762 6.419 25.487 1.00 1.00 O ATOM 722 CB LEU A 50 35.950 9.084 25.308 1.00 1.00 C ATOM 723 CG LEU A 50 35.058 10.134 24.642 1.00 1.00 C ATOM 724 CD1 LEU A 50 33.748 9.488 24.188 1.00 1.00 C ATOM 725 CD2 LEU A 50 34.751 11.249 25.645 1.00 1.00 C ATOM 0 H LEU A 50 35.499 8.782 22.559 1.00 1.00 H new ATOM 0 HA LEU A 50 37.165 7.454 24.621 1.00 1.00 H new ATOM 0 HB2 LEU A 50 35.466 8.703 26.207 1.00 1.00 H new ATOM 0 HB3 LEU A 50 36.890 9.540 25.620 1.00 1.00 H new ATOM 0 HG LEU A 50 35.575 10.549 23.777 1.00 1.00 H new ATOM 0 HD11 LEU A 50 33.117 10.240 23.715 1.00 1.00 H new ATOM 0 HD12 LEU A 50 33.963 8.693 23.474 1.00 1.00 H new ATOM 0 HD13 LEU A 50 33.230 9.070 25.051 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.116 11.998 25.173 1.00 1.00 H new ATOM 0 HD22 LEU A 50 34.236 10.829 26.509 1.00 1.00 H new ATOM 0 HD23 LEU A 50 35.682 11.714 25.968 1.00 1.00 H new ATOM 737 N TRP A 51 34.512 6.601 23.255 1.00 1.00 N ATOM 738 CA TRP A 51 33.418 5.638 23.201 1.00 1.00 C ATOM 739 C TRP A 51 33.960 4.213 23.124 1.00 1.00 C ATOM 740 O TRP A 51 34.037 3.514 24.134 1.00 1.00 O ATOM 741 CB TRP A 51 32.536 5.914 21.981 1.00 1.00 C ATOM 742 CG TRP A 51 31.709 4.704 21.685 1.00 1.00 C ATOM 743 CD1 TRP A 51 30.824 4.141 22.539 1.00 1.00 C ATOM 744 CD2 TRP A 51 31.673 3.900 20.470 1.00 1.00 C ATOM 745 NE1 TRP A 51 30.248 3.044 21.926 1.00 1.00 N ATOM 746 CE2 TRP A 51 30.739 2.853 20.650 1.00 1.00 C ATOM 747 CE3 TRP A 51 32.355 3.978 19.242 1.00 1.00 C ATOM 748 CZ2 TRP A 51 30.488 1.916 19.647 1.00 1.00 C ATOM 749 CZ3 TRP A 51 32.105 3.035 18.230 1.00 1.00 C ATOM 750 CH2 TRP A 51 31.174 2.007 18.433 1.00 1.00 C ATOM 0 H TRP A 51 34.775 6.998 22.353 1.00 1.00 H new ATOM 0 HA TRP A 51 32.825 5.742 24.110 1.00 1.00 H new ATOM 0 HB2 TRP A 51 31.891 6.772 22.171 1.00 1.00 H new ATOM 0 HB3 TRP A 51 33.155 6.165 21.120 1.00 1.00 H new ATOM 0 HD1 TRP A 51 30.603 4.491 23.537 1.00 1.00 H new ATOM 0 HE1 TRP A 51 29.545 2.448 22.363 1.00 1.00 H new ATOM 0 HE3 TRP A 51 33.074 4.766 19.076 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 29.769 1.126 19.808 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 32.633 3.103 17.291 1.00 1.00 H new ATOM 0 HH2 TRP A 51 30.987 1.286 17.651 1.00 1.00 H new ATOM 761 N THR A 52 34.330 3.792 21.919 1.00 1.00 N ATOM 762 CA THR A 52 34.861 2.448 21.719 1.00 1.00 C ATOM 763 C THR A 52 35.813 2.071 22.849 1.00 1.00 C ATOM 764 O THR A 52 35.684 1.005 23.451 1.00 1.00 O ATOM 765 CB THR A 52 35.598 2.372 20.380 1.00 1.00 C ATOM 766 OG1 THR A 52 36.678 1.455 20.488 1.00 1.00 O ATOM 767 CG2 THR A 52 36.136 3.756 20.012 1.00 1.00 C ATOM 0 H THR A 52 34.273 4.357 21.072 1.00 1.00 H new ATOM 0 HA THR A 52 34.027 1.746 21.715 1.00 1.00 H new ATOM 0 HB THR A 52 34.910 2.035 19.605 1.00 1.00 H new ATOM 0 HG1 THR A 52 37.521 1.919 20.302 1.00 1.00 H new ATOM 0 HG21 THR A 52 36.661 3.701 19.058 1.00 1.00 H new ATOM 0 HG22 THR A 52 35.307 4.459 19.930 1.00 1.00 H new ATOM 0 HG23 THR A 52 36.824 4.096 20.786 1.00 1.00 H new ATOM 775 N VAL A 53 36.769 2.949 23.131 1.00 1.00 N ATOM 776 CA VAL A 53 37.736 2.694 24.193 1.00 1.00 C ATOM 777 C VAL A 53 37.024 2.270 25.473 1.00 1.00 C ATOM 778 O VAL A 53 37.451 1.336 26.152 1.00 1.00 O ATOM 779 CB VAL A 53 38.564 3.952 24.459 1.00 1.00 C ATOM 780 CG1 VAL A 53 39.323 3.793 25.778 1.00 1.00 C ATOM 781 CG2 VAL A 53 39.565 4.153 23.319 1.00 1.00 C ATOM 0 H VAL A 53 36.895 3.836 22.644 1.00 1.00 H new ATOM 0 HA VAL A 53 38.396 1.887 23.873 1.00 1.00 H new ATOM 0 HB VAL A 53 37.902 4.816 24.521 1.00 1.00 H new ATOM 0 HG11 VAL A 53 39.913 4.689 25.968 1.00 1.00 H new ATOM 0 HG12 VAL A 53 38.612 3.647 26.591 1.00 1.00 H new ATOM 0 HG13 VAL A 53 39.985 2.929 25.715 1.00 1.00 H new ATOM 0 HG21 VAL A 53 40.156 5.049 23.507 1.00 1.00 H new ATOM 0 HG22 VAL A 53 40.226 3.289 23.259 1.00 1.00 H new ATOM 0 HG23 VAL A 53 39.027 4.264 22.378 1.00 1.00 H new ATOM 791 N PHE A 54 35.936 2.961 25.796 1.00 1.00 N ATOM 792 CA PHE A 54 35.171 2.647 26.996 1.00 1.00 C ATOM 793 C PHE A 54 34.384 1.354 26.805 1.00 1.00 C ATOM 794 O PHE A 54 33.481 1.044 27.583 1.00 1.00 O ATOM 795 CB PHE A 54 34.206 3.791 27.315 1.00 1.00 C ATOM 796 CG PHE A 54 33.771 3.695 28.757 1.00 1.00 C ATOM 797 CD1 PHE A 54 34.654 4.055 29.781 1.00 1.00 C ATOM 798 CD2 PHE A 54 32.482 3.245 29.070 1.00 1.00 C ATOM 799 CE1 PHE A 54 34.250 3.966 31.118 1.00 1.00 C ATOM 800 CE2 PHE A 54 32.077 3.156 30.408 1.00 1.00 C ATOM 801 CZ PHE A 54 32.962 3.516 31.432 1.00 1.00 C ATOM 0 H PHE A 54 35.566 3.737 25.247 1.00 1.00 H new ATOM 0 HA PHE A 54 35.867 2.518 27.825 1.00 1.00 H new ATOM 0 HB2 PHE A 54 34.690 4.751 27.133 1.00 1.00 H new ATOM 0 HB3 PHE A 54 33.338 3.742 26.658 1.00 1.00 H new ATOM 0 HD1 PHE A 54 35.648 4.402 29.539 1.00 1.00 H new ATOM 0 HD2 PHE A 54 31.800 2.967 28.280 1.00 1.00 H new ATOM 0 HE1 PHE A 54 34.932 4.245 31.908 1.00 1.00 H new ATOM 0 HE2 PHE A 54 31.083 2.810 30.650 1.00 1.00 H new ATOM 0 HZ PHE A 54 32.651 3.446 32.464 1.00 1.00 H new ATOM 811 N ARG A 55 34.734 0.604 25.766 1.00 1.00 N ATOM 812 CA ARG A 55 34.054 -0.655 25.481 1.00 1.00 C ATOM 813 C ARG A 55 35.061 -1.727 25.078 1.00 1.00 C ATOM 814 O ARG A 55 34.812 -2.922 25.245 1.00 1.00 O ATOM 815 CB ARG A 55 33.038 -0.457 24.354 1.00 1.00 C ATOM 816 CG ARG A 55 31.735 0.098 24.933 1.00 1.00 C ATOM 817 CD ARG A 55 31.066 1.010 23.902 1.00 1.00 C ATOM 818 NE ARG A 55 30.928 0.317 22.627 1.00 1.00 N ATOM 819 CZ ARG A 55 29.921 -0.522 22.406 1.00 1.00 C ATOM 820 NH1 ARG A 55 29.036 -0.740 23.340 1.00 1.00 N ATOM 821 NH2 ARG A 55 29.817 -1.128 21.255 1.00 1.00 N ATOM 0 H ARG A 55 35.479 0.843 25.111 1.00 1.00 H new ATOM 0 HA ARG A 55 33.536 -0.979 26.383 1.00 1.00 H new ATOM 0 HB2 ARG A 55 33.437 0.228 23.606 1.00 1.00 H new ATOM 0 HB3 ARG A 55 32.850 -1.405 23.849 1.00 1.00 H new ATOM 0 HG2 ARG A 55 31.066 -0.720 25.199 1.00 1.00 H new ATOM 0 HG3 ARG A 55 31.939 0.654 25.848 1.00 1.00 H new ATOM 0 HD2 ARG A 55 30.085 1.320 24.263 1.00 1.00 H new ATOM 0 HD3 ARG A 55 31.658 1.916 23.769 1.00 1.00 H new ATOM 0 HE ARG A 55 31.616 0.479 21.892 1.00 1.00 H new ATOM 0 HH11 ARG A 55 29.117 -0.267 24.240 1.00 1.00 H new ATOM 0 HH12 ARG A 55 28.263 -1.384 23.170 1.00 1.00 H new ATOM 0 HH21 ARG A 55 30.509 -0.958 20.525 1.00 1.00 H new ATOM 0 HH22 ARG A 55 29.044 -1.772 21.086 1.00 1.00 H new ATOM 835 N LYS A 56 36.200 -1.293 24.548 1.00 1.00 N ATOM 836 CA LYS A 56 37.240 -2.225 24.126 1.00 1.00 C ATOM 837 C LYS A 56 37.930 -2.841 25.337 1.00 1.00 C ATOM 838 O LYS A 56 38.641 -3.839 25.218 1.00 1.00 O ATOM 839 CB LYS A 56 38.272 -1.497 23.263 1.00 1.00 C ATOM 840 CG LYS A 56 37.604 -0.992 21.983 1.00 1.00 C ATOM 841 CD LYS A 56 37.725 -2.056 20.890 1.00 1.00 C ATOM 842 CE LYS A 56 36.994 -1.582 19.633 1.00 1.00 C ATOM 843 NZ LYS A 56 37.648 -0.348 19.113 1.00 1.00 N ATOM 0 H LYS A 56 36.426 -0.309 24.401 1.00 1.00 H new ATOM 0 HA LYS A 56 36.776 -3.021 23.544 1.00 1.00 H new ATOM 0 HB2 LYS A 56 38.699 -0.661 23.817 1.00 1.00 H new ATOM 0 HB3 LYS A 56 39.094 -2.169 23.016 1.00 1.00 H new ATOM 0 HG2 LYS A 56 36.554 -0.768 22.172 1.00 1.00 H new ATOM 0 HG3 LYS A 56 38.074 -0.065 21.656 1.00 1.00 H new ATOM 0 HD2 LYS A 56 38.775 -2.243 20.664 1.00 1.00 H new ATOM 0 HD3 LYS A 56 37.301 -2.998 21.237 1.00 1.00 H new ATOM 0 HE2 LYS A 56 37.011 -2.363 18.873 1.00 1.00 H new ATOM 0 HE3 LYS A 56 35.947 -1.383 19.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 37.506 -0.287 18.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 37.228 0.486 19.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 38.666 -0.381 19.321 1.00 1.00 H new ATOM 857 N LYS A 57 37.719 -2.240 26.503 1.00 1.00 N ATOM 858 CA LYS A 57 38.327 -2.740 27.732 1.00 1.00 C ATOM 859 C LYS A 57 38.003 -4.217 27.928 1.00 1.00 C ATOM 860 O LYS A 57 38.716 -4.932 28.632 1.00 1.00 O ATOM 861 CB LYS A 57 37.817 -1.939 28.932 1.00 1.00 C ATOM 862 CG LYS A 57 36.297 -2.084 29.039 1.00 1.00 C ATOM 863 CD LYS A 57 35.942 -2.794 30.346 1.00 1.00 C ATOM 864 CE LYS A 57 36.318 -1.904 31.530 1.00 1.00 C ATOM 865 NZ LYS A 57 35.088 -1.536 32.286 1.00 1.00 N ATOM 0 H LYS A 57 37.136 -1.412 26.624 1.00 1.00 H new ATOM 0 HA LYS A 57 39.408 -2.625 27.653 1.00 1.00 H new ATOM 0 HB2 LYS A 57 38.291 -2.294 29.847 1.00 1.00 H new ATOM 0 HB3 LYS A 57 38.085 -0.888 28.821 1.00 1.00 H new ATOM 0 HG2 LYS A 57 35.824 -1.102 29.006 1.00 1.00 H new ATOM 0 HG3 LYS A 57 35.915 -2.650 28.190 1.00 1.00 H new ATOM 0 HD2 LYS A 57 34.876 -3.019 30.371 1.00 1.00 H new ATOM 0 HD3 LYS A 57 36.471 -3.745 30.410 1.00 1.00 H new ATOM 0 HE2 LYS A 57 37.017 -2.426 32.184 1.00 1.00 H new ATOM 0 HE3 LYS A 57 36.823 -1.005 31.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 35.344 -0.930 33.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 34.436 -1.022 31.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 34.624 -2.399 32.635 1.00 1.00 H new ATOM 879 N GLY A 58 36.921 -4.668 27.301 1.00 1.00 N ATOM 880 CA GLY A 58 36.511 -6.062 27.414 1.00 1.00 C ATOM 881 C GLY A 58 36.566 -6.528 28.865 1.00 1.00 C ATOM 882 O GLY A 58 35.600 -6.377 29.612 1.00 1.00 O ATOM 0 H GLY A 58 36.317 -4.093 26.714 1.00 1.00 H new ATOM 0 HA2 GLY A 58 35.499 -6.180 27.028 1.00 1.00 H new ATOM 0 HA3 GLY A 58 37.161 -6.687 26.802 1.00 1.00 H new ATOM 886 N HIS A 59 37.706 -7.092 29.254 1.00 1.00 N ATOM 887 CA HIS A 59 37.885 -7.579 30.619 1.00 1.00 C ATOM 888 C HIS A 59 36.616 -8.262 31.120 1.00 1.00 C ATOM 889 O HIS A 59 36.435 -9.466 30.937 1.00 1.00 O ATOM 890 CB HIS A 59 38.243 -6.416 31.547 1.00 1.00 C ATOM 891 CG HIS A 59 39.739 -6.286 31.631 1.00 1.00 C ATOM 892 ND1 HIS A 59 40.507 -7.107 32.441 1.00 1.00 N ATOM 893 CD2 HIS A 59 40.622 -5.436 31.013 1.00 1.00 C ATOM 894 CE1 HIS A 59 41.792 -6.738 32.290 1.00 1.00 C ATOM 895 NE2 HIS A 59 41.918 -5.722 31.432 1.00 1.00 N ATOM 0 H HIS A 59 38.516 -7.223 28.648 1.00 1.00 H new ATOM 0 HA HIS A 59 38.697 -8.307 30.619 1.00 1.00 H new ATOM 0 HB2 HIS A 59 37.807 -5.490 31.172 1.00 1.00 H new ATOM 0 HB3 HIS A 59 37.825 -6.586 32.539 1.00 1.00 H new ATOM 0 HD2 HIS A 59 40.352 -4.663 30.309 1.00 1.00 H new ATOM 0 HE1 HIS A 59 42.621 -7.206 32.800 1.00 1.00 H new ATOM 0 HE2 HIS A 59 42.779 -5.256 31.146 1.00 1.00 H new ATOM 903 N HIS A 60 35.741 -7.486 31.752 1.00 1.00 N ATOM 904 CA HIS A 60 34.492 -8.030 32.275 1.00 1.00 C ATOM 905 C HIS A 60 33.358 -7.025 32.105 1.00 1.00 C ATOM 906 O HIS A 60 33.588 -5.866 31.760 1.00 1.00 O ATOM 907 CB HIS A 60 34.653 -8.375 33.756 1.00 1.00 C ATOM 908 CG HIS A 60 34.266 -7.187 34.593 1.00 1.00 C ATOM 909 ND1 HIS A 60 34.635 -5.866 34.536 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 33.382 -7.287 35.656 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 33.991 -5.156 35.547 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 33.249 -6.061 36.192 1.00 1.00 N flip ATOM 0 H HIS A 60 35.871 -6.487 31.914 1.00 1.00 H new ATOM 0 HA HIS A 60 34.248 -8.934 31.716 1.00 1.00 H new ATOM 0 HB2 HIS A 60 34.029 -9.231 34.011 1.00 1.00 H new ATOM 0 HB3 HIS A 60 35.685 -8.659 33.964 1.00 1.00 H new ATOM 0 HD2 HIS A 60 32.889 -8.187 35.993 1.00 1.00 H new ATOM 0 HE1 HIS A 60 34.074 -4.101 35.763 1.00 1.00 H new ATOM 0 HE2 HIS A 60 32.654 -5.848 36.993 1.00 1.00 H new ATOM 920 N HIS A 61 32.132 -7.478 32.349 1.00 1.00 N ATOM 921 CA HIS A 61 30.968 -6.609 32.221 1.00 1.00 C ATOM 922 C HIS A 61 29.944 -6.922 33.308 1.00 1.00 C ATOM 923 O HIS A 61 28.875 -6.314 33.359 1.00 1.00 O ATOM 924 CB HIS A 61 30.327 -6.796 30.844 1.00 1.00 C ATOM 925 CG HIS A 61 30.189 -5.458 30.170 1.00 1.00 C ATOM 926 ND1 HIS A 61 28.957 -4.938 29.805 1.00 1.00 N ATOM 927 CD2 HIS A 61 31.119 -4.524 29.787 1.00 1.00 C ATOM 928 CE1 HIS A 61 29.177 -3.741 29.231 1.00 1.00 C ATOM 929 NE2 HIS A 61 30.478 -3.440 29.194 1.00 1.00 N ATOM 0 H HIS A 61 31.920 -8.434 32.634 1.00 1.00 H new ATOM 0 HA HIS A 61 31.295 -5.575 32.333 1.00 1.00 H new ATOM 0 HB2 HIS A 61 30.938 -7.461 30.234 1.00 1.00 H new ATOM 0 HB3 HIS A 61 29.349 -7.266 30.947 1.00 1.00 H new ATOM 0 HD2 HIS A 61 32.186 -4.616 29.925 1.00 1.00 H new ATOM 0 HE1 HIS A 61 28.396 -3.101 28.847 1.00 1.00 H new ATOM 0 HE2 HIS A 61 30.909 -2.597 28.813 1.00 1.00 H new ATOM 937 N HIS A 62 30.279 -7.873 34.173 1.00 1.00 N ATOM 938 CA HIS A 62 29.380 -8.258 35.255 1.00 1.00 C ATOM 939 C HIS A 62 28.159 -8.985 34.704 1.00 1.00 C ATOM 940 O HIS A 62 27.447 -8.461 33.847 1.00 1.00 O ATOM 941 CB HIS A 62 28.932 -7.015 36.027 1.00 1.00 C ATOM 942 CG HIS A 62 28.800 -7.351 37.487 1.00 1.00 C ATOM 943 ND1 HIS A 62 29.780 -8.047 38.178 1.00 1.00 N ATOM 944 CD2 HIS A 62 27.809 -7.093 38.403 1.00 1.00 C ATOM 945 CE1 HIS A 62 29.362 -8.182 39.450 1.00 1.00 C ATOM 946 NE2 HIS A 62 28.167 -7.618 39.641 1.00 1.00 N ATOM 0 H HIS A 62 31.159 -8.388 34.147 1.00 1.00 H new ATOM 0 HA HIS A 62 29.915 -8.930 35.926 1.00 1.00 H new ATOM 0 HB2 HIS A 62 29.655 -6.210 35.892 1.00 1.00 H new ATOM 0 HB3 HIS A 62 27.979 -6.656 35.638 1.00 1.00 H new ATOM 0 HD2 HIS A 62 26.891 -6.563 38.194 1.00 1.00 H new ATOM 0 HE1 HIS A 62 29.925 -8.685 40.222 1.00 1.00 H new ATOM 0 HE2 HIS A 62 27.631 -7.580 40.508 1.00 1.00 H new ATOM 954 N HIS A 63 27.924 -10.195 35.200 1.00 1.00 N ATOM 955 CA HIS A 63 26.784 -10.987 34.748 1.00 1.00 C ATOM 956 C HIS A 63 26.568 -12.186 35.665 1.00 1.00 C ATOM 957 O HIS A 63 26.336 -13.303 35.200 1.00 1.00 O ATOM 958 CB HIS A 63 27.020 -11.472 33.317 1.00 1.00 C ATOM 959 CG HIS A 63 25.703 -11.586 32.602 1.00 1.00 C ATOM 960 ND1 HIS A 63 24.794 -12.595 32.882 1.00 1.00 N ATOM 961 CD2 HIS A 63 25.125 -10.826 31.616 1.00 1.00 C ATOM 962 CE1 HIS A 63 23.729 -12.416 32.081 1.00 1.00 C ATOM 963 NE2 HIS A 63 23.879 -11.352 31.288 1.00 1.00 N ATOM 0 H HIS A 63 28.502 -10.647 35.909 1.00 1.00 H new ATOM 0 HA HIS A 63 25.894 -10.358 34.776 1.00 1.00 H new ATOM 0 HB2 HIS A 63 27.673 -10.777 32.789 1.00 1.00 H new ATOM 0 HB3 HIS A 63 27.525 -12.438 33.328 1.00 1.00 H new ATOM 0 HD1 HIS A 63 24.912 -13.338 33.571 1.00 1.00 H new ATOM 0 HD2 HIS A 63 25.570 -9.952 31.163 1.00 1.00 H new ATOM 0 HE1 HIS A 63 22.858 -13.055 32.079 1.00 1.00 H new ATOM 971 N HIS A 64 26.642 -11.948 36.971 1.00 1.00 N ATOM 972 CA HIS A 64 26.452 -13.018 37.944 1.00 1.00 C ATOM 973 C HIS A 64 25.131 -13.738 37.696 1.00 1.00 C ATOM 974 O HIS A 64 25.168 -14.827 37.146 1.00 1.00 O ATOM 975 CB HIS A 64 26.463 -12.441 39.361 1.00 1.00 C ATOM 976 CG HIS A 64 26.767 -13.537 40.345 1.00 1.00 C ATOM 977 ND1 HIS A 64 27.787 -13.430 41.278 1.00 1.00 N ATOM 978 CD2 HIS A 64 26.196 -14.768 40.555 1.00 1.00 C ATOM 979 CE1 HIS A 64 27.799 -14.567 41.999 1.00 1.00 C ATOM 980 NE2 HIS A 64 26.849 -15.417 41.599 1.00 1.00 N ATOM 981 OXT HIS A 64 24.103 -13.193 38.059 1.00 1.00 O ATOM 0 H HIS A 64 26.831 -11.032 37.377 1.00 1.00 H new ATOM 0 HA HIS A 64 27.268 -13.733 37.836 1.00 1.00 H new ATOM 0 HB2 HIS A 64 27.210 -11.651 39.438 1.00 1.00 H new ATOM 0 HB3 HIS A 64 25.497 -11.990 39.589 1.00 1.00 H new ATOM 0 HD2 HIS A 64 25.366 -15.172 39.995 1.00 1.00 H new ATOM 0 HE1 HIS A 64 28.492 -14.767 42.803 1.00 1.00 H new ATOM 0 HE2 HIS A 64 26.646 -16.342 41.977 1.00 1.00 H new TER 989 HIS A 64