USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 HIS : no HD1:sc= -1.64! C(o=-1.8!,f=-3.2!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -0.137 X(o=-1.8,f=-1.7) USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -1.86! C(o=-3.6!,f=-2.7!) USER MOD Set 2.2: A 19 CYS SG : rot 180:sc= -0.798 USER MOD Set 3.1: A 10 TYR OH : rot -73:sc= -0.809 USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -1.66 F(o=-7.9!,f=-2.5) 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= -1.25 X(o=-1.3,f=-1.6) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -54:sc= 0.829 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.000454 USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= -0.297 (180deg=-2.38!) USER MOD Single : A 26 SER OG : rot 29:sc= 0.855 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -165:sc= 0.17 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -96:sc= -0.17 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 46 ASN :FLIP amide:sc= -1.01 F(o=-2.4!,f=-1) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc=-0.00951 (180deg=-0.333) USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -0.415 (180deg=-0.923) USER MOD Single : A 61 HIS : no HE2:sc= -3.02 K(o=-3,f=-7.2!) USER MOD Single : A 62 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.37) USER MOD Single : A 63 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Single : A 64 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.571 -34.562 -15.624 1.00 1.00 N ATOM 2 CA MET A 1 35.234 -34.552 -14.964 1.00 1.00 C ATOM 3 C MET A 1 34.651 -33.144 -15.022 1.00 1.00 C ATOM 4 O MET A 1 33.561 -32.935 -15.554 1.00 1.00 O ATOM 5 CB MET A 1 35.385 -34.995 -13.506 1.00 1.00 C ATOM 6 CG MET A 1 35.147 -36.503 -13.404 1.00 1.00 C ATOM 7 SD MET A 1 33.380 -36.849 -13.594 1.00 1.00 S ATOM 8 CE MET A 1 33.146 -37.701 -12.015 1.00 1.00 C ATOM 0 H1 MET A 1 36.970 -35.522 -15.585 1.00 1.00 H new ATOM 0 H2 MET A 1 36.470 -34.269 -16.617 1.00 1.00 H new ATOM 0 H3 MET A 1 37.206 -33.903 -15.131 1.00 1.00 H new ATOM 0 HA MET A 1 34.563 -35.239 -15.480 1.00 1.00 H new ATOM 0 HB2 MET A 1 36.382 -34.748 -13.141 1.00 1.00 H new ATOM 0 HB3 MET A 1 34.674 -34.460 -12.877 1.00 1.00 H new ATOM 0 HG2 MET A 1 35.716 -37.025 -14.174 1.00 1.00 H new ATOM 0 HG3 MET A 1 35.500 -36.873 -12.441 1.00 1.00 H new ATOM 0 HE1 MET A 1 32.105 -38.009 -11.919 1.00 1.00 H new ATOM 0 HE2 MET A 1 33.790 -38.580 -11.977 1.00 1.00 H new ATOM 0 HE3 MET A 1 33.402 -37.028 -11.197 1.00 1.00 H new ATOM 20 N GLU A 2 35.385 -32.183 -14.473 1.00 1.00 N ATOM 21 CA GLU A 2 34.931 -30.797 -14.469 1.00 1.00 C ATOM 22 C GLU A 2 33.589 -30.675 -13.753 1.00 1.00 C ATOM 23 O GLU A 2 32.588 -31.243 -14.190 1.00 1.00 O ATOM 24 CB GLU A 2 34.794 -30.288 -15.905 1.00 1.00 C ATOM 25 CG GLU A 2 34.899 -28.761 -15.918 1.00 1.00 C ATOM 26 CD GLU A 2 36.358 -28.339 -15.779 1.00 1.00 C ATOM 27 OE1 GLU A 2 37.196 -29.213 -15.632 1.00 1.00 O ATOM 28 OE2 GLU A 2 36.616 -27.147 -15.822 1.00 1.00 O ATOM 0 H GLU A 2 36.290 -32.336 -14.028 1.00 1.00 H new ATOM 0 HA GLU A 2 35.669 -30.194 -13.939 1.00 1.00 H new ATOM 0 HB2 GLU A 2 35.573 -30.722 -16.532 1.00 1.00 H new ATOM 0 HB3 GLU A 2 33.837 -30.601 -16.323 1.00 1.00 H new ATOM 0 HG2 GLU A 2 34.485 -28.367 -16.846 1.00 1.00 H new ATOM 0 HG3 GLU A 2 34.311 -28.341 -15.102 1.00 1.00 H new ATOM 35 N GLU A 3 33.577 -29.930 -12.652 1.00 1.00 N ATOM 36 CA GLU A 3 32.352 -29.742 -11.883 1.00 1.00 C ATOM 37 C GLU A 3 31.419 -28.765 -12.593 1.00 1.00 C ATOM 38 O GLU A 3 30.537 -29.173 -13.348 1.00 1.00 O ATOM 39 CB GLU A 3 32.687 -29.209 -10.489 1.00 1.00 C ATOM 40 CG GLU A 3 33.206 -30.353 -9.616 1.00 1.00 C ATOM 41 CD GLU A 3 34.471 -30.945 -10.231 1.00 1.00 C ATOM 42 OE1 GLU A 3 35.518 -30.340 -10.078 1.00 1.00 O ATOM 43 OE2 GLU A 3 34.372 -31.994 -10.844 1.00 1.00 O ATOM 0 H GLU A 3 34.394 -29.450 -12.275 1.00 1.00 H new ATOM 0 HA GLU A 3 31.850 -30.705 -11.792 1.00 1.00 H new ATOM 0 HB2 GLU A 3 33.438 -28.422 -10.560 1.00 1.00 H new ATOM 0 HB3 GLU A 3 31.801 -28.764 -10.035 1.00 1.00 H new ATOM 0 HG2 GLU A 3 33.417 -29.988 -8.611 1.00 1.00 H new ATOM 0 HG3 GLU A 3 32.442 -31.125 -9.521 1.00 1.00 H new ATOM 50 N GLY A 4 31.621 -27.476 -12.345 1.00 1.00 N ATOM 51 CA GLY A 4 30.792 -26.449 -12.966 1.00 1.00 C ATOM 52 C GLY A 4 31.509 -25.815 -14.152 1.00 1.00 C ATOM 53 O GLY A 4 31.034 -25.883 -15.286 1.00 1.00 O ATOM 0 H GLY A 4 32.346 -27.119 -11.723 1.00 1.00 H new ATOM 0 HA2 GLY A 4 29.850 -26.887 -13.297 1.00 1.00 H new ATOM 0 HA3 GLY A 4 30.546 -25.682 -12.232 1.00 1.00 H new ATOM 57 N GLY A 5 32.654 -25.197 -13.884 1.00 1.00 N ATOM 58 CA GLY A 5 33.429 -24.552 -14.937 1.00 1.00 C ATOM 59 C GLY A 5 33.024 -23.091 -15.095 1.00 1.00 C ATOM 60 O GLY A 5 31.959 -22.786 -15.631 1.00 1.00 O ATOM 0 H GLY A 5 33.064 -25.129 -12.952 1.00 1.00 H new ATOM 0 HA2 GLY A 5 34.492 -24.615 -14.702 1.00 1.00 H new ATOM 0 HA3 GLY A 5 33.279 -25.079 -15.879 1.00 1.00 H new ATOM 64 N ASP A 6 33.880 -22.190 -14.624 1.00 1.00 N ATOM 65 CA ASP A 6 33.601 -20.762 -14.718 1.00 1.00 C ATOM 66 C ASP A 6 34.884 -19.953 -14.562 1.00 1.00 C ATOM 67 O ASP A 6 34.857 -18.807 -14.115 1.00 1.00 O ATOM 68 CB ASP A 6 32.603 -20.352 -13.633 1.00 1.00 C ATOM 69 CG ASP A 6 31.934 -19.035 -14.010 1.00 1.00 C ATOM 70 OD1 ASP A 6 31.417 -18.951 -15.112 1.00 1.00 O ATOM 71 OD2 ASP A 6 31.949 -18.130 -13.192 1.00 1.00 O ATOM 0 H ASP A 6 34.767 -22.421 -14.176 1.00 1.00 H new ATOM 0 HA ASP A 6 33.174 -20.559 -15.700 1.00 1.00 H new ATOM 0 HB2 ASP A 6 31.849 -21.129 -13.508 1.00 1.00 H new ATOM 0 HB3 ASP A 6 33.115 -20.248 -12.677 1.00 1.00 H new ATOM 76 N PHE A 7 36.008 -20.557 -14.936 1.00 1.00 N ATOM 77 CA PHE A 7 37.297 -19.882 -14.834 1.00 1.00 C ATOM 78 C PHE A 7 38.340 -20.587 -15.695 1.00 1.00 C ATOM 79 O PHE A 7 39.426 -20.920 -15.222 1.00 1.00 O ATOM 80 CB PHE A 7 37.763 -19.863 -13.377 1.00 1.00 C ATOM 81 CG PHE A 7 38.691 -18.692 -13.161 1.00 1.00 C ATOM 82 CD1 PHE A 7 38.176 -17.393 -13.092 1.00 1.00 C ATOM 83 CD2 PHE A 7 40.069 -18.907 -13.029 1.00 1.00 C ATOM 84 CE1 PHE A 7 39.037 -16.307 -12.892 1.00 1.00 C ATOM 85 CE2 PHE A 7 40.930 -17.822 -12.829 1.00 1.00 C ATOM 86 CZ PHE A 7 40.414 -16.522 -12.760 1.00 1.00 C ATOM 0 H PHE A 7 36.053 -21.505 -15.310 1.00 1.00 H new ATOM 0 HA PHE A 7 37.180 -18.859 -15.191 1.00 1.00 H new ATOM 0 HB2 PHE A 7 36.904 -19.788 -12.710 1.00 1.00 H new ATOM 0 HB3 PHE A 7 38.274 -20.795 -13.135 1.00 1.00 H new ATOM 0 HD1 PHE A 7 37.114 -17.228 -13.193 1.00 1.00 H new ATOM 0 HD2 PHE A 7 40.467 -19.910 -13.082 1.00 1.00 H new ATOM 0 HE1 PHE A 7 38.639 -15.304 -12.840 1.00 1.00 H new ATOM 0 HE2 PHE A 7 41.992 -17.987 -12.728 1.00 1.00 H new ATOM 0 HZ PHE A 7 41.079 -15.685 -12.605 1.00 1.00 H new ATOM 96 N ASP A 8 38.003 -20.811 -16.961 1.00 1.00 N ATOM 97 CA ASP A 8 38.919 -21.477 -17.878 1.00 1.00 C ATOM 98 C ASP A 8 38.794 -20.889 -19.280 1.00 1.00 C ATOM 99 O ASP A 8 38.567 -21.615 -20.249 1.00 1.00 O ATOM 100 CB ASP A 8 38.616 -22.976 -17.924 1.00 1.00 C ATOM 101 CG ASP A 8 38.644 -23.557 -16.514 1.00 1.00 C ATOM 102 OD1 ASP A 8 37.803 -23.170 -15.719 1.00 1.00 O ATOM 103 OD2 ASP A 8 39.504 -24.381 -16.252 1.00 1.00 O ATOM 0 H ASP A 8 37.109 -20.543 -17.372 1.00 1.00 H new ATOM 0 HA ASP A 8 39.937 -21.323 -17.520 1.00 1.00 H new ATOM 0 HB2 ASP A 8 37.639 -23.144 -18.376 1.00 1.00 H new ATOM 0 HB3 ASP A 8 39.349 -23.485 -18.550 1.00 1.00 H new ATOM 108 N ASN A 9 38.946 -19.570 -19.378 1.00 1.00 N ATOM 109 CA ASN A 9 38.850 -18.884 -20.663 1.00 1.00 C ATOM 110 C ASN A 9 40.163 -18.182 -20.995 1.00 1.00 C ATOM 111 O ASN A 9 40.169 -17.039 -21.452 1.00 1.00 O ATOM 112 CB ASN A 9 37.717 -17.857 -20.623 1.00 1.00 C ATOM 113 CG ASN A 9 38.151 -16.632 -19.825 1.00 1.00 C ATOM 114 OD1 ASN A 9 38.336 -16.713 -18.611 1.00 1.00 O ATOM 115 ND2 ASN A 9 38.326 -15.494 -20.440 1.00 1.00 N ATOM 0 H ASN A 9 39.136 -18.957 -18.585 1.00 1.00 H new ATOM 0 HA ASN A 9 38.642 -19.625 -21.435 1.00 1.00 H new ATOM 0 HB2 ASN A 9 37.446 -17.563 -21.637 1.00 1.00 H new ATOM 0 HB3 ASN A 9 36.829 -18.300 -20.171 1.00 1.00 H new ATOM 0 HD21 ASN A 9 38.617 -14.670 -19.914 1.00 1.00 H new ATOM 0 HD22 ASN A 9 38.172 -15.429 -21.446 1.00 1.00 H new ATOM 122 N TYR A 10 41.274 -18.875 -20.763 1.00 1.00 N ATOM 123 CA TYR A 10 42.588 -18.310 -21.042 1.00 1.00 C ATOM 124 C TYR A 10 42.707 -16.903 -20.463 1.00 1.00 C ATOM 125 O TYR A 10 43.647 -16.171 -20.777 1.00 1.00 O ATOM 126 CB TYR A 10 42.820 -18.268 -22.552 1.00 1.00 C ATOM 127 CG TYR A 10 44.261 -17.914 -22.835 1.00 1.00 C ATOM 128 CD1 TYR A 10 45.260 -18.886 -22.699 1.00 1.00 C ATOM 129 CD2 TYR A 10 44.597 -16.616 -23.235 1.00 1.00 C ATOM 130 CE1 TYR A 10 46.595 -18.559 -22.964 1.00 1.00 C ATOM 131 CE2 TYR A 10 45.932 -16.288 -23.499 1.00 1.00 C ATOM 132 CZ TYR A 10 46.931 -17.260 -23.363 1.00 1.00 C ATOM 133 OH TYR A 10 48.248 -16.938 -23.624 1.00 1.00 O ATOM 0 H TYR A 10 41.290 -19.822 -20.385 1.00 1.00 H new ATOM 0 HA TYR A 10 43.343 -18.941 -20.573 1.00 1.00 H new ATOM 0 HB2 TYR A 10 42.579 -19.235 -22.994 1.00 1.00 H new ATOM 0 HB3 TYR A 10 42.158 -17.534 -23.011 1.00 1.00 H new ATOM 0 HD1 TYR A 10 45.000 -19.888 -22.390 1.00 1.00 H new ATOM 0 HD2 TYR A 10 43.826 -15.867 -23.340 1.00 1.00 H new ATOM 0 HE1 TYR A 10 47.366 -19.309 -22.861 1.00 1.00 H new ATOM 0 HE2 TYR A 10 46.191 -15.286 -23.807 1.00 1.00 H new ATOM 0 HH TYR A 10 48.744 -16.882 -22.781 1.00 1.00 H new ATOM 143 N TYR A 11 41.751 -16.534 -19.616 1.00 1.00 N ATOM 144 CA TYR A 11 41.755 -15.215 -18.993 1.00 1.00 C ATOM 145 C TYR A 11 42.190 -14.148 -19.992 1.00 1.00 C ATOM 146 O TYR A 11 42.885 -13.195 -19.639 1.00 1.00 O ATOM 147 CB TYR A 11 42.699 -15.214 -17.787 1.00 1.00 C ATOM 148 CG TYR A 11 42.934 -16.634 -17.335 1.00 1.00 C ATOM 149 CD1 TYR A 11 43.966 -17.389 -17.907 1.00 1.00 C ATOM 150 CD2 TYR A 11 42.119 -17.200 -16.347 1.00 1.00 C ATOM 151 CE1 TYR A 11 44.183 -18.707 -17.491 1.00 1.00 C ATOM 152 CE2 TYR A 11 42.335 -18.518 -15.931 1.00 1.00 C ATOM 153 CZ TYR A 11 43.368 -19.273 -16.503 1.00 1.00 C ATOM 154 OH TYR A 11 43.581 -20.573 -16.092 1.00 1.00 O ATOM 0 H TYR A 11 40.966 -17.127 -19.346 1.00 1.00 H new ATOM 0 HA TYR A 11 40.742 -14.985 -18.661 1.00 1.00 H new ATOM 0 HB2 TYR A 11 43.646 -14.744 -18.052 1.00 1.00 H new ATOM 0 HB3 TYR A 11 42.269 -14.628 -16.975 1.00 1.00 H new ATOM 0 HD1 TYR A 11 44.595 -16.953 -18.670 1.00 1.00 H new ATOM 0 HD2 TYR A 11 41.323 -16.619 -15.906 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.979 -19.288 -17.932 1.00 1.00 H new ATOM 0 HE2 TYR A 11 41.706 -18.954 -15.169 1.00 1.00 H new ATOM 0 HH TYR A 11 42.928 -20.808 -15.400 1.00 1.00 H new ATOM 164 N GLY A 12 41.771 -14.317 -21.240 1.00 1.00 N ATOM 165 CA GLY A 12 42.116 -13.367 -22.291 1.00 1.00 C ATOM 166 C GLY A 12 43.562 -12.903 -22.155 1.00 1.00 C ATOM 167 O GLY A 12 43.933 -11.839 -22.651 1.00 1.00 O ATOM 0 H GLY A 12 41.194 -15.100 -21.549 1.00 1.00 H new ATOM 0 HA2 GLY A 12 41.969 -13.830 -23.267 1.00 1.00 H new ATOM 0 HA3 GLY A 12 41.448 -12.507 -22.242 1.00 1.00 H new ATOM 171 N ALA A 13 44.373 -13.710 -21.479 1.00 1.00 N ATOM 172 CA ALA A 13 45.780 -13.378 -21.279 1.00 1.00 C ATOM 173 C ALA A 13 46.370 -14.207 -20.143 1.00 1.00 C ATOM 174 O ALA A 13 46.508 -13.727 -19.019 1.00 1.00 O ATOM 175 CB ALA A 13 45.927 -11.890 -20.954 1.00 1.00 C ATOM 0 H ALA A 13 44.083 -14.594 -21.062 1.00 1.00 H new ATOM 0 HA ALA A 13 46.320 -13.604 -22.199 1.00 1.00 H new ATOM 0 HB1 ALA A 13 46.980 -11.652 -20.806 1.00 1.00 H new ATOM 0 HB2 ALA A 13 45.533 -11.297 -21.779 1.00 1.00 H new ATOM 0 HB3 ALA A 13 45.372 -11.660 -20.044 1.00 1.00 H new ATOM 181 N ASP A 14 46.715 -15.455 -20.445 1.00 1.00 N ATOM 182 CA ASP A 14 47.289 -16.341 -19.438 1.00 1.00 C ATOM 183 C ASP A 14 48.782 -16.075 -19.278 1.00 1.00 C ATOM 184 O ASP A 14 49.520 -16.915 -18.762 1.00 1.00 O ATOM 185 CB ASP A 14 47.066 -17.801 -19.839 1.00 1.00 C ATOM 186 CG ASP A 14 48.281 -18.327 -20.596 1.00 1.00 C ATOM 187 OD1 ASP A 14 48.806 -17.593 -21.418 1.00 1.00 O ATOM 188 OD2 ASP A 14 48.669 -19.455 -20.343 1.00 1.00 O ATOM 0 H ASP A 14 46.609 -15.873 -21.369 1.00 1.00 H new ATOM 0 HA ASP A 14 46.795 -16.147 -18.486 1.00 1.00 H new ATOM 0 HB2 ASP A 14 46.890 -18.408 -18.951 1.00 1.00 H new ATOM 0 HB3 ASP A 14 46.176 -17.883 -20.462 1.00 1.00 H new ATOM 193 N ASN A 15 49.220 -14.902 -19.724 1.00 1.00 N ATOM 194 CA ASN A 15 50.628 -14.536 -19.625 1.00 1.00 C ATOM 195 C ASN A 15 51.469 -15.375 -20.582 1.00 1.00 C ATOM 196 O ASN A 15 51.424 -16.605 -20.547 1.00 1.00 O ATOM 197 CB ASN A 15 51.122 -14.744 -18.192 1.00 1.00 C ATOM 198 CG ASN A 15 49.990 -14.475 -17.207 1.00 1.00 C ATOM 199 OD1 ASN A 15 49.504 -15.460 -16.502 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 49.538 -13.338 -17.074 1.00 1.00 N flip ATOM 0 H ASN A 15 48.625 -14.194 -20.154 1.00 1.00 H new ATOM 0 HA ASN A 15 50.731 -13.485 -19.896 1.00 1.00 H new ATOM 0 HB2 ASN A 15 51.488 -15.763 -18.069 1.00 1.00 H new ATOM 0 HB3 ASN A 15 51.960 -14.078 -17.987 1.00 1.00 H new ATOM 0 HD21 ASN A 15 49.919 -12.570 -17.626 1.00 1.00 H new ATOM 0 HD22 ASN A 15 48.782 -13.164 -16.412 1.00 1.00 H new ATOM 207 N GLN A 16 52.235 -14.702 -21.435 1.00 1.00 N ATOM 208 CA GLN A 16 53.085 -15.392 -22.398 1.00 1.00 C ATOM 209 C GLN A 16 54.476 -14.768 -22.430 1.00 1.00 C ATOM 210 O GLN A 16 55.480 -15.470 -22.549 1.00 1.00 O ATOM 211 CB GLN A 16 52.459 -15.321 -23.793 1.00 1.00 C ATOM 212 CG GLN A 16 51.064 -15.949 -23.764 1.00 1.00 C ATOM 213 CD GLN A 16 50.000 -14.857 -23.785 1.00 1.00 C ATOM 214 OE1 GLN A 16 49.571 -14.355 -22.659 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 49.548 -14.450 -24.854 1.00 1.00 N flip ATOM 0 H GLN A 16 52.284 -13.684 -21.479 1.00 1.00 H new ATOM 0 HA GLN A 16 53.175 -16.435 -22.093 1.00 1.00 H new ATOM 0 HB2 GLN A 16 52.395 -14.284 -24.121 1.00 1.00 H new ATOM 0 HB3 GLN A 16 53.089 -15.844 -24.512 1.00 1.00 H new ATOM 0 HG2 GLN A 16 50.936 -16.610 -24.621 1.00 1.00 H new ATOM 0 HG3 GLN A 16 50.950 -16.562 -22.870 1.00 1.00 H new ATOM 0 HE21 GLN A 16 49.884 -14.843 -25.733 1.00 1.00 H new ATOM 0 HE22 GLN A 16 48.837 -13.719 -24.862 1.00 1.00 H new ATOM 224 N SER A 17 54.526 -13.444 -22.322 1.00 1.00 N ATOM 225 CA SER A 17 55.800 -12.735 -22.341 1.00 1.00 C ATOM 226 C SER A 17 55.660 -11.367 -21.681 1.00 1.00 C ATOM 227 O SER A 17 56.227 -10.380 -22.151 1.00 1.00 O ATOM 228 CB SER A 17 56.281 -12.562 -23.781 1.00 1.00 C ATOM 229 OG SER A 17 57.566 -11.952 -23.777 1.00 1.00 O ATOM 0 H SER A 17 53.707 -12.845 -22.221 1.00 1.00 H new ATOM 0 HA SER A 17 56.530 -13.323 -21.784 1.00 1.00 H new ATOM 0 HB2 SER A 17 56.327 -13.530 -24.280 1.00 1.00 H new ATOM 0 HB3 SER A 17 55.576 -11.948 -24.341 1.00 1.00 H new ATOM 0 HG SER A 17 57.532 -11.122 -23.258 1.00 1.00 H new ATOM 235 N GLU A 18 54.904 -11.315 -20.590 1.00 1.00 N ATOM 236 CA GLU A 18 54.697 -10.061 -19.874 1.00 1.00 C ATOM 237 C GLU A 18 54.746 -10.291 -18.367 1.00 1.00 C ATOM 238 O GLU A 18 54.918 -9.351 -17.592 1.00 1.00 O ATOM 239 CB GLU A 18 53.344 -9.459 -20.255 1.00 1.00 C ATOM 240 CG GLU A 18 53.050 -8.254 -19.359 1.00 1.00 C ATOM 241 CD GLU A 18 52.014 -7.352 -20.022 1.00 1.00 C ATOM 242 OE1 GLU A 18 52.409 -6.514 -20.817 1.00 1.00 O ATOM 243 OE2 GLU A 18 50.842 -7.512 -19.726 1.00 1.00 O ATOM 0 H GLU A 18 54.427 -12.120 -20.184 1.00 1.00 H new ATOM 0 HA GLU A 18 55.493 -9.370 -20.152 1.00 1.00 H new ATOM 0 HB2 GLU A 18 53.352 -9.154 -21.301 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.558 -10.206 -20.147 1.00 1.00 H new ATOM 0 HG2 GLU A 18 52.683 -8.592 -18.390 1.00 1.00 H new ATOM 0 HG3 GLU A 18 53.967 -7.694 -19.175 1.00 1.00 H new ATOM 250 N CYS A 19 54.595 -11.547 -17.959 1.00 1.00 N ATOM 251 CA CYS A 19 54.625 -11.888 -16.541 1.00 1.00 C ATOM 252 C CYS A 19 54.631 -13.402 -16.354 1.00 1.00 C ATOM 253 O CYS A 19 53.759 -13.958 -15.687 1.00 1.00 O ATOM 254 CB CYS A 19 53.408 -11.290 -15.834 1.00 1.00 C ATOM 255 SG CYS A 19 51.940 -11.505 -16.872 1.00 1.00 S ATOM 0 H CYS A 19 54.452 -12.340 -18.584 1.00 1.00 H new ATOM 0 HA CYS A 19 55.536 -11.476 -16.107 1.00 1.00 H new ATOM 0 HB2 CYS A 19 53.259 -11.776 -14.870 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.574 -10.231 -15.635 1.00 1.00 H new ATOM 0 HG CYS A 19 50.905 -10.999 -16.270 1.00 1.00 H new ATOM 261 N GLU A 20 55.620 -14.062 -16.947 1.00 1.00 N ATOM 262 CA GLU A 20 55.730 -15.513 -16.839 1.00 1.00 C ATOM 263 C GLU A 20 56.792 -15.895 -15.814 1.00 1.00 C ATOM 264 O GLU A 20 57.458 -16.922 -15.948 1.00 1.00 O ATOM 265 CB GLU A 20 56.092 -16.112 -18.200 1.00 1.00 C ATOM 266 CG GLU A 20 55.280 -17.388 -18.429 1.00 1.00 C ATOM 267 CD GLU A 20 55.738 -18.073 -19.713 1.00 1.00 C ATOM 268 OE1 GLU A 20 56.914 -18.380 -19.810 1.00 1.00 O ATOM 269 OE2 GLU A 20 54.904 -18.280 -20.580 1.00 1.00 O ATOM 0 H GLU A 20 56.352 -13.620 -17.503 1.00 1.00 H new ATOM 0 HA GLU A 20 54.768 -15.908 -16.513 1.00 1.00 H new ATOM 0 HB2 GLU A 20 55.888 -15.392 -18.992 1.00 1.00 H new ATOM 0 HB3 GLU A 20 57.158 -16.335 -18.239 1.00 1.00 H new ATOM 0 HG2 GLU A 20 55.402 -18.064 -17.583 1.00 1.00 H new ATOM 0 HG3 GLU A 20 54.219 -17.147 -18.494 1.00 1.00 H new ATOM 276 N TYR A 21 56.946 -15.061 -14.790 1.00 1.00 N ATOM 277 CA TYR A 21 57.931 -15.321 -13.748 1.00 1.00 C ATOM 278 C TYR A 21 57.257 -15.891 -12.503 1.00 1.00 C ATOM 279 O TYR A 21 57.254 -17.103 -12.287 1.00 1.00 O ATOM 280 CB TYR A 21 58.664 -14.027 -13.386 1.00 1.00 C ATOM 281 CG TYR A 21 59.729 -13.747 -14.418 1.00 1.00 C ATOM 282 CD1 TYR A 21 59.370 -13.264 -15.682 1.00 1.00 C ATOM 283 CD2 TYR A 21 61.077 -13.971 -14.111 1.00 1.00 C ATOM 284 CE1 TYR A 21 60.359 -13.005 -16.639 1.00 1.00 C ATOM 285 CE2 TYR A 21 62.066 -13.711 -15.068 1.00 1.00 C ATOM 286 CZ TYR A 21 61.706 -13.228 -16.331 1.00 1.00 C ATOM 287 OH TYR A 21 62.681 -12.973 -17.275 1.00 1.00 O ATOM 0 H TYR A 21 56.405 -14.206 -14.661 1.00 1.00 H new ATOM 0 HA TYR A 21 58.647 -16.050 -14.126 1.00 1.00 H new ATOM 0 HB2 TYR A 21 57.959 -13.197 -13.341 1.00 1.00 H new ATOM 0 HB3 TYR A 21 59.115 -14.116 -12.398 1.00 1.00 H new ATOM 0 HD1 TYR A 21 58.331 -13.091 -15.919 1.00 1.00 H new ATOM 0 HD2 TYR A 21 61.354 -14.344 -13.136 1.00 1.00 H new ATOM 0 HE1 TYR A 21 60.082 -12.633 -17.615 1.00 1.00 H new ATOM 0 HE2 TYR A 21 63.106 -13.883 -14.831 1.00 1.00 H new ATOM 0 HH TYR A 21 63.562 -13.180 -16.899 1.00 1.00 H new ATOM 297 N THR A 22 56.688 -15.009 -11.687 1.00 1.00 N ATOM 298 CA THR A 22 56.014 -15.437 -10.467 1.00 1.00 C ATOM 299 C THR A 22 54.740 -14.626 -10.247 1.00 1.00 C ATOM 300 O THR A 22 54.319 -14.412 -9.109 1.00 1.00 O ATOM 301 CB THR A 22 56.945 -15.262 -9.266 1.00 1.00 C ATOM 302 OG1 THR A 22 58.280 -15.091 -9.725 1.00 1.00 O ATOM 303 CG2 THR A 22 56.866 -16.499 -8.371 1.00 1.00 C ATOM 0 H THR A 22 56.680 -14.002 -11.847 1.00 1.00 H new ATOM 0 HA THR A 22 55.749 -16.489 -10.571 1.00 1.00 H new ATOM 0 HB THR A 22 56.641 -14.385 -8.695 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.878 -14.977 -8.957 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.530 -16.372 -7.516 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.842 -16.629 -8.020 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.169 -17.379 -8.939 1.00 1.00 H new ATOM 311 N ASP A 23 54.133 -14.178 -11.344 1.00 1.00 N ATOM 312 CA ASP A 23 52.907 -13.388 -11.266 1.00 1.00 C ATOM 313 C ASP A 23 51.820 -13.998 -12.146 1.00 1.00 C ATOM 314 O ASP A 23 50.654 -13.613 -12.060 1.00 1.00 O ATOM 315 CB ASP A 23 53.182 -11.952 -11.716 1.00 1.00 C ATOM 316 CG ASP A 23 53.334 -11.046 -10.498 1.00 1.00 C ATOM 317 OD1 ASP A 23 52.325 -10.735 -9.887 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.457 -10.678 -10.195 1.00 1.00 O ATOM 0 H ASP A 23 54.468 -14.347 -12.292 1.00 1.00 H new ATOM 0 HA ASP A 23 52.564 -13.386 -10.231 1.00 1.00 H new ATOM 0 HB2 ASP A 23 54.088 -11.918 -12.320 1.00 1.00 H new ATOM 0 HB3 ASP A 23 52.366 -11.596 -12.345 1.00 1.00 H new ATOM 323 N TRP A 24 52.207 -14.951 -12.989 1.00 1.00 N ATOM 324 CA TRP A 24 51.249 -15.603 -13.874 1.00 1.00 C ATOM 325 C TRP A 24 50.168 -16.309 -13.062 1.00 1.00 C ATOM 326 O TRP A 24 49.177 -16.787 -13.613 1.00 1.00 O ATOM 327 CB TRP A 24 51.966 -16.616 -14.771 1.00 1.00 C ATOM 328 CG TRP A 24 52.539 -17.714 -13.933 1.00 1.00 C ATOM 329 CD1 TRP A 24 53.620 -17.594 -13.128 1.00 1.00 C ATOM 330 CD2 TRP A 24 52.086 -19.093 -13.806 1.00 1.00 C ATOM 331 NE1 TRP A 24 53.858 -18.811 -12.516 1.00 1.00 N ATOM 332 CE2 TRP A 24 52.939 -19.766 -12.901 1.00 1.00 C ATOM 333 CE3 TRP A 24 51.026 -19.817 -14.383 1.00 1.00 C ATOM 334 CZ2 TRP A 24 52.749 -21.111 -12.579 1.00 1.00 C ATOM 335 CZ3 TRP A 24 50.832 -21.170 -14.061 1.00 1.00 C ATOM 336 CH2 TRP A 24 51.692 -21.815 -13.161 1.00 1.00 C ATOM 0 H TRP A 24 53.166 -15.286 -13.077 1.00 1.00 H new ATOM 0 HA TRP A 24 50.780 -14.841 -14.497 1.00 1.00 H new ATOM 0 HB2 TRP A 24 51.269 -17.028 -15.500 1.00 1.00 H new ATOM 0 HB3 TRP A 24 52.759 -16.122 -15.332 1.00 1.00 H new ATOM 0 HD1 TRP A 24 54.202 -16.695 -12.987 1.00 1.00 H new ATOM 0 HE1 TRP A 24 54.620 -18.982 -11.860 1.00 1.00 H new ATOM 0 HE3 TRP A 24 50.358 -19.329 -15.077 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 53.414 -21.604 -11.885 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 50.016 -21.717 -14.509 1.00 1.00 H new ATOM 0 HH2 TRP A 24 51.537 -22.856 -12.918 1.00 1.00 H new ATOM 347 N LYS A 25 50.368 -16.366 -11.748 1.00 1.00 N ATOM 348 CA LYS A 25 49.405 -17.011 -10.862 1.00 1.00 C ATOM 349 C LYS A 25 49.121 -16.131 -9.648 1.00 1.00 C ATOM 350 O LYS A 25 48.319 -16.489 -8.786 1.00 1.00 O ATOM 351 CB LYS A 25 49.935 -18.372 -10.398 1.00 1.00 C ATOM 352 CG LYS A 25 51.458 -18.317 -10.231 1.00 1.00 C ATOM 353 CD LYS A 25 51.828 -17.235 -9.215 1.00 1.00 C ATOM 354 CE LYS A 25 53.232 -17.506 -8.668 1.00 1.00 C ATOM 355 NZ LYS A 25 53.249 -18.827 -7.979 1.00 1.00 N ATOM 0 H LYS A 25 51.184 -15.976 -11.276 1.00 1.00 H new ATOM 0 HA LYS A 25 48.478 -17.159 -11.417 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.468 -18.650 -9.453 1.00 1.00 H new ATOM 0 HB3 LYS A 25 49.669 -19.141 -11.123 1.00 1.00 H new ATOM 0 HG2 LYS A 25 51.832 -19.285 -9.898 1.00 1.00 H new ATOM 0 HG3 LYS A 25 51.931 -18.106 -11.190 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.793 -16.252 -9.685 1.00 1.00 H new ATOM 0 HD3 LYS A 25 51.105 -17.224 -8.400 1.00 1.00 H new ATOM 0 HE2 LYS A 25 53.958 -17.498 -9.481 1.00 1.00 H new ATOM 0 HE3 LYS A 25 53.522 -16.718 -7.973 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 53.661 -18.718 -7.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 52.277 -19.188 -7.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 53.821 -19.498 -8.530 1.00 1.00 H new ATOM 369 N SER A 26 49.783 -14.978 -9.590 1.00 1.00 N ATOM 370 CA SER A 26 49.598 -14.051 -8.480 1.00 1.00 C ATOM 371 C SER A 26 49.488 -14.807 -7.160 1.00 1.00 C ATOM 372 O SER A 26 48.391 -15.010 -6.639 1.00 1.00 O ATOM 373 CB SER A 26 48.336 -13.218 -8.702 1.00 1.00 C ATOM 374 OG SER A 26 47.222 -14.087 -8.856 1.00 1.00 O ATOM 0 H SER A 26 50.449 -14.665 -10.296 1.00 1.00 H new ATOM 0 HA SER A 26 50.465 -13.392 -8.434 1.00 1.00 H new ATOM 0 HB2 SER A 26 48.175 -12.548 -7.858 1.00 1.00 H new ATOM 0 HB3 SER A 26 48.450 -12.593 -9.588 1.00 1.00 H new ATOM 0 HG SER A 26 47.385 -14.918 -8.363 1.00 1.00 H new ATOM 380 N SER A 27 50.632 -15.222 -6.624 1.00 1.00 N ATOM 381 CA SER A 27 50.651 -15.956 -5.363 1.00 1.00 C ATOM 382 C SER A 27 51.790 -15.466 -4.474 1.00 1.00 C ATOM 383 O SER A 27 51.657 -15.413 -3.252 1.00 1.00 O ATOM 384 CB SER A 27 50.820 -17.451 -5.634 1.00 1.00 C ATOM 385 OG SER A 27 50.686 -18.166 -4.412 1.00 1.00 O ATOM 0 H SER A 27 51.550 -15.064 -7.039 1.00 1.00 H new ATOM 0 HA SER A 27 49.705 -15.784 -4.849 1.00 1.00 H new ATOM 0 HB2 SER A 27 50.072 -17.790 -6.351 1.00 1.00 H new ATOM 0 HB3 SER A 27 51.797 -17.644 -6.077 1.00 1.00 H new ATOM 0 HG SER A 27 50.792 -19.125 -4.581 1.00 1.00 H new ATOM 391 N GLY A 28 52.909 -15.109 -5.098 1.00 1.00 N ATOM 392 CA GLY A 28 54.067 -14.625 -4.354 1.00 1.00 C ATOM 393 C GLY A 28 54.670 -13.396 -5.025 1.00 1.00 C ATOM 394 O GLY A 28 55.879 -13.329 -5.246 1.00 1.00 O ATOM 0 H GLY A 28 53.038 -15.145 -6.109 1.00 1.00 H new ATOM 0 HA2 GLY A 28 53.772 -14.379 -3.334 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.817 -15.413 -4.288 1.00 1.00 H new ATOM 398 N ALA A 29 53.820 -12.427 -5.348 1.00 1.00 N ATOM 399 CA ALA A 29 54.279 -11.203 -5.994 1.00 1.00 C ATOM 400 C ALA A 29 53.600 -9.984 -5.379 1.00 1.00 C ATOM 401 O ALA A 29 54.053 -8.853 -5.556 1.00 1.00 O ATOM 402 CB ALA A 29 53.975 -11.258 -7.492 1.00 1.00 C ATOM 0 H ALA A 29 52.816 -12.465 -5.174 1.00 1.00 H new ATOM 0 HA ALA A 29 55.355 -11.118 -5.845 1.00 1.00 H new ATOM 0 HB1 ALA A 29 54.321 -10.340 -7.967 1.00 1.00 H new ATOM 0 HB2 ALA A 29 54.487 -12.112 -7.936 1.00 1.00 H new ATOM 0 HB3 ALA A 29 52.900 -11.361 -7.642 1.00 1.00 H new ATOM 408 N LEU A 30 52.510 -10.224 -4.656 1.00 1.00 N ATOM 409 CA LEU A 30 51.774 -9.138 -4.018 1.00 1.00 C ATOM 410 C LEU A 30 51.387 -9.519 -2.591 1.00 1.00 C ATOM 411 O LEU A 30 51.078 -8.656 -1.770 1.00 1.00 O ATOM 412 CB LEU A 30 50.512 -8.818 -4.823 1.00 1.00 C ATOM 413 CG LEU A 30 49.914 -10.111 -5.377 1.00 1.00 C ATOM 414 CD1 LEU A 30 48.388 -10.005 -5.388 1.00 1.00 C ATOM 415 CD2 LEU A 30 50.418 -10.333 -6.806 1.00 1.00 C ATOM 0 H LEU A 30 52.119 -11.153 -4.498 1.00 1.00 H new ATOM 0 HA LEU A 30 52.417 -8.258 -3.986 1.00 1.00 H new ATOM 0 HB2 LEU A 30 49.784 -8.311 -4.190 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.753 -8.138 -5.640 1.00 1.00 H new ATOM 0 HG LEU A 30 50.216 -10.949 -4.748 1.00 1.00 H new ATOM 0 HD11 LEU A 30 47.962 -10.927 -5.783 1.00 1.00 H new ATOM 0 HD12 LEU A 30 48.027 -9.845 -4.372 1.00 1.00 H new ATOM 0 HD13 LEU A 30 48.086 -9.167 -6.017 1.00 1.00 H new ATOM 0 HD21 LEU A 30 49.993 -11.255 -7.203 1.00 1.00 H new ATOM 0 HD22 LEU A 30 50.115 -9.494 -7.433 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.505 -10.408 -6.801 1.00 1.00 H new ATOM 427 N ILE A 31 51.407 -10.817 -2.303 1.00 1.00 N ATOM 428 CA ILE A 31 51.058 -11.300 -0.973 1.00 1.00 C ATOM 429 C ILE A 31 52.119 -10.890 0.055 1.00 1.00 C ATOM 430 O ILE A 31 51.780 -10.524 1.181 1.00 1.00 O ATOM 431 CB ILE A 31 50.879 -12.831 -1.005 1.00 1.00 C ATOM 432 CG1 ILE A 31 49.384 -13.158 -1.019 1.00 1.00 C ATOM 433 CG2 ILE A 31 51.520 -13.493 0.223 1.00 1.00 C ATOM 434 CD1 ILE A 31 48.725 -12.488 -2.225 1.00 1.00 C ATOM 0 H ILE A 31 51.659 -11.548 -2.968 1.00 1.00 H new ATOM 0 HA ILE A 31 50.116 -10.844 -0.669 1.00 1.00 H new ATOM 0 HB ILE A 31 51.368 -13.215 -1.900 1.00 1.00 H new ATOM 0 HG12 ILE A 31 49.238 -14.237 -1.065 1.00 1.00 H new ATOM 0 HG13 ILE A 31 48.917 -12.812 -0.097 1.00 1.00 H new ATOM 0 HG21 ILE A 31 51.377 -14.572 0.171 1.00 1.00 H new ATOM 0 HG22 ILE A 31 52.587 -13.269 0.242 1.00 1.00 H new ATOM 0 HG23 ILE A 31 51.052 -13.108 1.129 1.00 1.00 H new ATOM 0 HD11 ILE A 31 47.660 -12.721 -2.234 1.00 1.00 H new ATOM 0 HD12 ILE A 31 48.859 -11.408 -2.160 1.00 1.00 H new ATOM 0 HD13 ILE A 31 49.185 -12.856 -3.142 1.00 1.00 H new ATOM 446 N PRO A 32 53.383 -10.944 -0.293 1.00 1.00 N ATOM 447 CA PRO A 32 54.482 -10.573 0.634 1.00 1.00 C ATOM 448 C PRO A 32 54.793 -9.079 0.591 1.00 1.00 C ATOM 449 O PRO A 32 55.912 -8.661 0.891 1.00 1.00 O ATOM 450 CB PRO A 32 55.660 -11.395 0.117 1.00 1.00 C ATOM 451 CG PRO A 32 55.413 -11.582 -1.348 1.00 1.00 C ATOM 452 CD PRO A 32 53.914 -11.362 -1.600 1.00 1.00 C ATOM 0 HA PRO A 32 54.235 -10.773 1.677 1.00 1.00 H new ATOM 0 HB2 PRO A 32 56.604 -10.879 0.292 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.722 -12.355 0.629 1.00 1.00 H new ATOM 0 HG2 PRO A 32 56.006 -10.876 -1.929 1.00 1.00 H new ATOM 0 HG3 PRO A 32 55.711 -12.583 -1.662 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.746 -10.599 -2.360 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.432 -12.274 -1.952 1.00 1.00 H new ATOM 460 N ALA A 33 53.795 -8.284 0.214 1.00 1.00 N ATOM 461 CA ALA A 33 53.966 -6.836 0.132 1.00 1.00 C ATOM 462 C ALA A 33 52.859 -6.123 0.902 1.00 1.00 C ATOM 463 O ALA A 33 53.127 -5.239 1.717 1.00 1.00 O ATOM 464 CB ALA A 33 53.938 -6.391 -1.331 1.00 1.00 C ATOM 0 H ALA A 33 52.864 -8.616 -0.038 1.00 1.00 H new ATOM 0 HA ALA A 33 54.928 -6.576 0.574 1.00 1.00 H new ATOM 0 HB1 ALA A 33 54.066 -5.310 -1.385 1.00 1.00 H new ATOM 0 HB2 ALA A 33 54.746 -6.880 -1.875 1.00 1.00 H new ATOM 0 HB3 ALA A 33 52.982 -6.666 -1.777 1.00 1.00 H new ATOM 470 N ILE A 34 51.616 -6.512 0.640 1.00 1.00 N ATOM 471 CA ILE A 34 50.477 -5.901 1.316 1.00 1.00 C ATOM 472 C ILE A 34 49.974 -6.801 2.440 1.00 1.00 C ATOM 473 O ILE A 34 49.485 -6.319 3.461 1.00 1.00 O ATOM 474 CB ILE A 34 49.347 -5.651 0.315 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.134 -6.905 -0.537 1.00 1.00 C ATOM 476 CG2 ILE A 34 49.720 -4.478 -0.593 1.00 1.00 C ATOM 477 CD1 ILE A 34 47.641 -7.240 -0.587 1.00 1.00 C ATOM 0 H ILE A 34 51.372 -7.242 -0.030 1.00 1.00 H new ATOM 0 HA ILE A 34 50.800 -4.952 1.743 1.00 1.00 H new ATOM 0 HB ILE A 34 48.429 -5.416 0.855 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.515 -6.742 -1.545 1.00 1.00 H new ATOM 0 HG13 ILE A 34 49.692 -7.742 -0.117 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.915 -4.300 -1.306 1.00 1.00 H new ATOM 0 HG22 ILE A 34 49.874 -3.584 0.012 1.00 1.00 H new ATOM 0 HG23 ILE A 34 50.637 -4.713 -1.133 1.00 1.00 H new ATOM 0 HD11 ILE A 34 47.489 -8.133 -1.193 1.00 1.00 H new ATOM 0 HD12 ILE A 34 47.275 -7.421 0.424 1.00 1.00 H new ATOM 0 HD13 ILE A 34 47.095 -6.405 -1.027 1.00 1.00 H new ATOM 489 N TYR A 35 50.096 -8.110 2.244 1.00 1.00 N ATOM 490 CA TYR A 35 49.651 -9.067 3.251 1.00 1.00 C ATOM 491 C TYR A 35 50.679 -9.184 4.371 1.00 1.00 C ATOM 492 O TYR A 35 50.811 -10.235 4.998 1.00 1.00 O ATOM 493 CB TYR A 35 49.435 -10.439 2.608 1.00 1.00 C ATOM 494 CG TYR A 35 48.131 -11.024 3.095 1.00 1.00 C ATOM 495 CD1 TYR A 35 46.916 -10.500 2.639 1.00 1.00 C ATOM 496 CD2 TYR A 35 48.137 -12.091 4.001 1.00 1.00 C ATOM 497 CE1 TYR A 35 45.706 -11.042 3.090 1.00 1.00 C ATOM 498 CE2 TYR A 35 46.929 -12.633 4.452 1.00 1.00 C ATOM 499 CZ TYR A 35 45.713 -12.109 3.997 1.00 1.00 C ATOM 500 OH TYR A 35 44.520 -12.644 4.441 1.00 1.00 O ATOM 0 H TYR A 35 50.496 -8.530 1.405 1.00 1.00 H new ATOM 0 HA TYR A 35 48.711 -8.711 3.673 1.00 1.00 H new ATOM 0 HB2 TYR A 35 49.421 -10.345 1.522 1.00 1.00 H new ATOM 0 HB3 TYR A 35 50.261 -11.104 2.860 1.00 1.00 H new ATOM 0 HD1 TYR A 35 46.912 -9.677 1.939 1.00 1.00 H new ATOM 0 HD2 TYR A 35 49.075 -12.496 4.352 1.00 1.00 H new ATOM 0 HE1 TYR A 35 44.768 -10.637 2.739 1.00 1.00 H new ATOM 0 HE2 TYR A 35 46.934 -13.456 5.151 1.00 1.00 H new ATOM 0 HH TYR A 35 44.685 -13.202 5.230 1.00 1.00 H new ATOM 510 N MET A 36 51.404 -8.095 4.616 1.00 1.00 N ATOM 511 CA MET A 36 52.421 -8.077 5.662 1.00 1.00 C ATOM 512 C MET A 36 52.200 -6.897 6.604 1.00 1.00 C ATOM 513 O MET A 36 51.976 -7.080 7.801 1.00 1.00 O ATOM 514 CB MET A 36 53.813 -7.976 5.035 1.00 1.00 C ATOM 515 CG MET A 36 53.946 -9.012 3.917 1.00 1.00 C ATOM 516 SD MET A 36 55.597 -9.752 3.974 1.00 1.00 S ATOM 517 CE MET A 36 55.124 -11.297 4.787 1.00 1.00 C ATOM 0 H MET A 36 51.306 -7.217 4.106 1.00 1.00 H new ATOM 0 HA MET A 36 52.345 -9.003 6.232 1.00 1.00 H new ATOM 0 HB2 MET A 36 53.972 -6.974 4.637 1.00 1.00 H new ATOM 0 HB3 MET A 36 54.578 -8.143 5.793 1.00 1.00 H new ATOM 0 HG2 MET A 36 53.185 -9.785 4.030 1.00 1.00 H new ATOM 0 HG3 MET A 36 53.780 -8.541 2.948 1.00 1.00 H new ATOM 0 HE1 MET A 36 56.007 -11.921 4.925 1.00 1.00 H new ATOM 0 HE2 MET A 36 54.680 -11.076 5.758 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.399 -11.826 4.169 1.00 1.00 H new ATOM 527 N LEU A 37 52.265 -5.689 6.055 1.00 1.00 N ATOM 528 CA LEU A 37 52.070 -4.486 6.855 1.00 1.00 C ATOM 529 C LEU A 37 50.584 -4.230 7.086 1.00 1.00 C ATOM 530 O LEU A 37 50.186 -3.128 7.462 1.00 1.00 O ATOM 531 CB LEU A 37 52.693 -3.282 6.148 1.00 1.00 C ATOM 532 CG LEU A 37 54.041 -3.682 5.545 1.00 1.00 C ATOM 533 CD1 LEU A 37 54.708 -2.454 4.923 1.00 1.00 C ATOM 534 CD2 LEU A 37 54.941 -4.248 6.645 1.00 1.00 C ATOM 0 H LEU A 37 52.450 -5.517 5.067 1.00 1.00 H new ATOM 0 HA LEU A 37 52.556 -4.632 7.820 1.00 1.00 H new ATOM 0 HB2 LEU A 37 52.026 -2.922 5.365 1.00 1.00 H new ATOM 0 HB3 LEU A 37 52.828 -2.463 6.854 1.00 1.00 H new ATOM 0 HG LEU A 37 53.885 -4.438 4.776 1.00 1.00 H new ATOM 0 HD11 LEU A 37 55.668 -2.740 4.494 1.00 1.00 H new ATOM 0 HD12 LEU A 37 54.067 -2.049 4.140 1.00 1.00 H new ATOM 0 HD13 LEU A 37 54.865 -1.697 5.691 1.00 1.00 H new ATOM 0 HD21 LEU A 37 55.902 -4.534 6.218 1.00 1.00 H new ATOM 0 HD22 LEU A 37 55.096 -3.491 7.414 1.00 1.00 H new ATOM 0 HD23 LEU A 37 54.467 -5.123 7.089 1.00 1.00 H new ATOM 546 N VAL A 38 49.770 -5.255 6.857 1.00 1.00 N ATOM 547 CA VAL A 38 48.328 -5.129 7.044 1.00 1.00 C ATOM 548 C VAL A 38 47.763 -6.373 7.721 1.00 1.00 C ATOM 549 O VAL A 38 46.781 -6.298 8.459 1.00 1.00 O ATOM 550 CB VAL A 38 47.644 -4.927 5.691 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.137 -4.759 5.900 1.00 1.00 C ATOM 552 CG2 VAL A 38 48.207 -3.673 5.017 1.00 1.00 C ATOM 0 H VAL A 38 50.080 -6.175 6.544 1.00 1.00 H new ATOM 0 HA VAL A 38 48.137 -4.266 7.682 1.00 1.00 H new ATOM 0 HB VAL A 38 47.829 -5.795 5.058 1.00 1.00 H new ATOM 0 HG11 VAL A 38 45.650 -4.615 4.936 1.00 1.00 H new ATOM 0 HG12 VAL A 38 45.735 -5.651 6.380 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.952 -3.891 6.533 1.00 1.00 H new ATOM 0 HG21 VAL A 38 47.720 -3.528 4.053 1.00 1.00 H new ATOM 0 HG22 VAL A 38 48.022 -2.805 5.650 1.00 1.00 H new ATOM 0 HG23 VAL A 38 49.280 -3.791 4.867 1.00 1.00 H new ATOM 562 N PHE A 39 48.388 -7.517 7.462 1.00 1.00 N ATOM 563 CA PHE A 39 47.936 -8.773 8.052 1.00 1.00 C ATOM 564 C PHE A 39 48.388 -8.878 9.505 1.00 1.00 C ATOM 565 O PHE A 39 47.677 -9.427 10.347 1.00 1.00 O ATOM 566 CB PHE A 39 48.495 -9.952 7.255 1.00 1.00 C ATOM 567 CG PHE A 39 47.724 -11.204 7.600 1.00 1.00 C ATOM 568 CD1 PHE A 39 46.426 -11.384 7.106 1.00 1.00 C ATOM 569 CD2 PHE A 39 48.307 -12.184 8.412 1.00 1.00 C ATOM 570 CE1 PHE A 39 45.711 -12.545 7.426 1.00 1.00 C ATOM 571 CE2 PHE A 39 47.591 -13.344 8.731 1.00 1.00 C ATOM 572 CZ PHE A 39 46.293 -13.525 8.238 1.00 1.00 C ATOM 0 H PHE A 39 49.202 -7.601 6.853 1.00 1.00 H new ATOM 0 HA PHE A 39 46.847 -8.796 8.022 1.00 1.00 H new ATOM 0 HB2 PHE A 39 48.422 -9.750 6.186 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.552 -10.089 7.482 1.00 1.00 H new ATOM 0 HD1 PHE A 39 45.977 -10.628 6.479 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.308 -12.045 8.792 1.00 1.00 H new ATOM 0 HE1 PHE A 39 44.710 -12.684 7.046 1.00 1.00 H new ATOM 0 HE2 PHE A 39 48.040 -14.100 9.358 1.00 1.00 H new ATOM 0 HZ PHE A 39 45.741 -14.420 8.484 1.00 1.00 H new ATOM 582 N LEU A 40 49.573 -8.345 9.791 1.00 1.00 N ATOM 583 CA LEU A 40 50.115 -8.382 11.146 1.00 1.00 C ATOM 584 C LEU A 40 50.063 -6.996 11.780 1.00 1.00 C ATOM 585 O LEU A 40 50.860 -6.677 12.663 1.00 1.00 O ATOM 586 CB LEU A 40 51.562 -8.877 11.115 1.00 1.00 C ATOM 587 CG LEU A 40 51.623 -10.233 10.410 1.00 1.00 C ATOM 588 CD1 LEU A 40 52.593 -10.152 9.229 1.00 1.00 C ATOM 589 CD2 LEU A 40 52.109 -11.298 11.395 1.00 1.00 C ATOM 0 H LEU A 40 50.173 -7.885 9.107 1.00 1.00 H new ATOM 0 HA LEU A 40 49.510 -9.065 11.742 1.00 1.00 H new ATOM 0 HB2 LEU A 40 52.193 -8.156 10.595 1.00 1.00 H new ATOM 0 HB3 LEU A 40 51.949 -8.965 12.130 1.00 1.00 H new ATOM 0 HG LEU A 40 50.630 -10.498 10.047 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.636 -11.118 8.727 1.00 1.00 H new ATOM 0 HD12 LEU A 40 52.248 -9.393 8.527 1.00 1.00 H new ATOM 0 HD13 LEU A 40 53.586 -9.887 9.591 1.00 1.00 H new ATOM 0 HD21 LEU A 40 52.153 -12.265 10.893 1.00 1.00 H new ATOM 0 HD22 LEU A 40 53.102 -11.032 11.758 1.00 1.00 H new ATOM 0 HD23 LEU A 40 51.419 -11.357 12.237 1.00 1.00 H new ATOM 601 N LEU A 41 49.120 -6.178 11.325 1.00 1.00 N ATOM 602 CA LEU A 41 48.973 -4.828 11.855 1.00 1.00 C ATOM 603 C LEU A 41 47.495 -4.476 11.996 1.00 1.00 C ATOM 604 O LEU A 41 47.011 -4.214 13.097 1.00 1.00 O ATOM 605 CB LEU A 41 49.665 -3.827 10.920 1.00 1.00 C ATOM 606 CG LEU A 41 49.318 -2.388 11.322 1.00 1.00 C ATOM 607 CD1 LEU A 41 49.548 -2.195 12.823 1.00 1.00 C ATOM 608 CD2 LEU A 41 50.215 -1.420 10.548 1.00 1.00 C ATOM 0 H LEU A 41 48.451 -6.424 10.596 1.00 1.00 H new ATOM 0 HA LEU A 41 49.439 -4.780 12.839 1.00 1.00 H new ATOM 0 HB2 LEU A 41 50.745 -3.971 10.958 1.00 1.00 H new ATOM 0 HB3 LEU A 41 49.356 -4.008 9.891 1.00 1.00 H new ATOM 0 HG LEU A 41 48.271 -2.193 11.091 1.00 1.00 H new ATOM 0 HD11 LEU A 41 49.299 -1.171 13.100 1.00 1.00 H new ATOM 0 HD12 LEU A 41 48.915 -2.886 13.380 1.00 1.00 H new ATOM 0 HD13 LEU A 41 50.594 -2.391 13.059 1.00 1.00 H new ATOM 0 HD21 LEU A 41 49.973 -0.395 10.830 1.00 1.00 H new ATOM 0 HD22 LEU A 41 51.259 -1.624 10.784 1.00 1.00 H new ATOM 0 HD23 LEU A 41 50.053 -1.550 9.478 1.00 1.00 H new ATOM 620 N GLY A 42 46.784 -4.474 10.873 1.00 1.00 N ATOM 621 CA GLY A 42 45.362 -4.154 10.883 1.00 1.00 C ATOM 622 C GLY A 42 44.547 -5.309 11.457 1.00 1.00 C ATOM 623 O GLY A 42 43.334 -5.198 11.632 1.00 1.00 O ATOM 0 H GLY A 42 47.166 -4.689 9.952 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.192 -3.255 11.475 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.027 -3.936 9.869 1.00 1.00 H new ATOM 627 N THR A 43 45.222 -6.417 11.748 1.00 1.00 N ATOM 628 CA THR A 43 44.548 -7.586 12.301 1.00 1.00 C ATOM 629 C THR A 43 45.382 -8.211 13.415 1.00 1.00 C ATOM 630 O THR A 43 44.938 -8.282 14.559 1.00 1.00 O ATOM 631 CB THR A 43 44.308 -8.621 11.201 1.00 1.00 C ATOM 632 OG1 THR A 43 44.984 -9.826 11.532 1.00 1.00 O ATOM 633 CG2 THR A 43 44.837 -8.086 9.870 1.00 1.00 C ATOM 0 H THR A 43 46.227 -6.530 11.611 1.00 1.00 H new ATOM 0 HA THR A 43 43.591 -7.266 12.714 1.00 1.00 H new ATOM 0 HB THR A 43 43.239 -8.816 11.112 1.00 1.00 H new ATOM 0 HG1 THR A 43 45.856 -9.845 11.086 1.00 1.00 H new ATOM 0 HG21 THR A 43 44.665 -8.825 9.087 1.00 1.00 H new ATOM 0 HG22 THR A 43 44.318 -7.162 9.617 1.00 1.00 H new ATOM 0 HG23 THR A 43 45.906 -7.890 9.956 1.00 1.00 H new ATOM 641 N THR A 44 46.590 -8.653 13.062 1.00 1.00 N ATOM 642 CA THR A 44 47.508 -9.276 14.016 1.00 1.00 C ATOM 643 C THR A 44 46.750 -10.053 15.088 1.00 1.00 C ATOM 644 O THR A 44 46.527 -11.256 14.955 1.00 1.00 O ATOM 645 CB THR A 44 48.402 -8.216 14.677 1.00 1.00 C ATOM 646 OG1 THR A 44 48.647 -8.583 16.028 1.00 1.00 O ATOM 647 CG2 THR A 44 47.725 -6.843 14.637 1.00 1.00 C ATOM 0 H THR A 44 46.958 -8.590 12.113 1.00 1.00 H new ATOM 0 HA THR A 44 48.133 -9.975 13.461 1.00 1.00 H new ATOM 0 HB THR A 44 49.343 -8.159 14.131 1.00 1.00 H new ATOM 0 HG1 THR A 44 49.219 -7.909 16.452 1.00 1.00 H new ATOM 0 HG21 THR A 44 48.372 -6.104 15.110 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.544 -6.557 13.601 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.776 -6.889 15.172 1.00 1.00 H new ATOM 655 N GLY A 45 46.359 -9.358 16.148 1.00 1.00 N ATOM 656 CA GLY A 45 45.626 -9.992 17.236 1.00 1.00 C ATOM 657 C GLY A 45 44.579 -9.045 17.806 1.00 1.00 C ATOM 658 O GLY A 45 44.085 -9.247 18.916 1.00 1.00 O ATOM 0 H GLY A 45 46.536 -8.362 16.278 1.00 1.00 H new ATOM 0 HA2 GLY A 45 45.143 -10.900 16.875 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.319 -10.291 18.022 1.00 1.00 H new ATOM 662 N ASN A 46 44.248 -8.007 17.046 1.00 1.00 N ATOM 663 CA ASN A 46 43.263 -7.032 17.492 1.00 1.00 C ATOM 664 C ASN A 46 43.494 -6.691 18.960 1.00 1.00 C ATOM 665 O ASN A 46 42.587 -6.228 19.653 1.00 1.00 O ATOM 666 CB ASN A 46 41.850 -7.592 17.311 1.00 1.00 C ATOM 667 CG ASN A 46 41.866 -8.724 16.290 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.198 -9.928 16.668 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 41.568 -8.506 15.115 1.00 1.00 N flip ATOM 0 H ASN A 46 44.645 -7.821 16.125 1.00 1.00 H new ATOM 0 HA ASN A 46 43.369 -6.128 16.893 1.00 1.00 H new ATOM 0 HB2 ASN A 46 41.469 -7.957 18.265 1.00 1.00 H new ATOM 0 HB3 ASN A 46 41.176 -6.802 16.980 1.00 1.00 H new ATOM 0 HD21 ASN A 46 41.309 -7.564 14.821 1.00 1.00 H new ATOM 0 HD22 ASN A 46 41.581 -9.267 14.436 1.00 1.00 H new ATOM 676 N GLY A 47 44.715 -6.929 19.427 1.00 1.00 N ATOM 677 CA GLY A 47 45.062 -6.651 20.813 1.00 1.00 C ATOM 678 C GLY A 47 46.519 -6.225 20.937 1.00 1.00 C ATOM 679 O GLY A 47 46.821 -5.159 21.476 1.00 1.00 O ATOM 0 H GLY A 47 45.477 -7.312 18.868 1.00 1.00 H new ATOM 0 HA2 GLY A 47 44.415 -5.865 21.203 1.00 1.00 H new ATOM 0 HA3 GLY A 47 44.886 -7.539 21.421 1.00 1.00 H new ATOM 683 N LEU A 48 47.421 -7.061 20.435 1.00 1.00 N ATOM 684 CA LEU A 48 48.848 -6.755 20.496 1.00 1.00 C ATOM 685 C LEU A 48 49.103 -5.332 20.011 1.00 1.00 C ATOM 686 O LEU A 48 50.188 -4.784 20.202 1.00 1.00 O ATOM 687 CB LEU A 48 49.658 -7.734 19.635 1.00 1.00 C ATOM 688 CG LEU A 48 48.888 -9.045 19.438 1.00 1.00 C ATOM 689 CD1 LEU A 48 49.786 -10.054 18.720 1.00 1.00 C ATOM 690 CD2 LEU A 48 48.476 -9.618 20.798 1.00 1.00 C ATOM 0 H LEU A 48 47.194 -7.948 19.985 1.00 1.00 H new ATOM 0 HA LEU A 48 49.166 -6.852 21.534 1.00 1.00 H new ATOM 0 HB2 LEU A 48 49.872 -7.283 18.666 1.00 1.00 H new ATOM 0 HB3 LEU A 48 50.617 -7.937 20.111 1.00 1.00 H new ATOM 0 HG LEU A 48 47.995 -8.851 18.843 1.00 1.00 H new ATOM 0 HD11 LEU A 48 49.243 -10.988 18.578 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.080 -9.654 17.750 1.00 1.00 H new ATOM 0 HD13 LEU A 48 50.677 -10.240 19.320 1.00 1.00 H new ATOM 0 HD21 LEU A 48 47.929 -10.549 20.650 1.00 1.00 H new ATOM 0 HD22 LEU A 48 49.366 -9.811 21.396 1.00 1.00 H new ATOM 0 HD23 LEU A 48 47.839 -8.902 21.317 1.00 1.00 H new ATOM 702 N VAL A 49 48.094 -4.743 19.380 1.00 1.00 N ATOM 703 CA VAL A 49 48.215 -3.384 18.868 1.00 1.00 C ATOM 704 C VAL A 49 47.971 -2.363 19.976 1.00 1.00 C ATOM 705 O VAL A 49 48.844 -1.553 20.289 1.00 1.00 O ATOM 706 CB VAL A 49 47.205 -3.165 17.741 1.00 1.00 C ATOM 707 CG1 VAL A 49 47.321 -1.732 17.222 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.497 -4.147 16.604 1.00 1.00 C ATOM 0 H VAL A 49 47.189 -5.182 19.212 1.00 1.00 H new ATOM 0 HA VAL A 49 49.227 -3.249 18.487 1.00 1.00 H new ATOM 0 HB VAL A 49 46.196 -3.331 18.117 1.00 1.00 H new ATOM 0 HG11 VAL A 49 46.601 -1.577 16.419 1.00 1.00 H new ATOM 0 HG12 VAL A 49 47.116 -1.033 18.033 1.00 1.00 H new ATOM 0 HG13 VAL A 49 48.329 -1.563 16.843 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.779 -3.994 15.798 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.506 -3.978 16.228 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.414 -5.168 16.975 1.00 1.00 H new ATOM 718 N LEU A 50 46.780 -2.408 20.565 1.00 1.00 N ATOM 719 CA LEU A 50 46.433 -1.478 21.636 1.00 1.00 C ATOM 720 C LEU A 50 46.552 -2.155 22.997 1.00 1.00 C ATOM 721 O LEU A 50 46.962 -1.531 23.976 1.00 1.00 O ATOM 722 CB LEU A 50 45.005 -0.964 21.440 1.00 1.00 C ATOM 723 CG LEU A 50 44.030 -2.143 21.439 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.298 -2.200 22.780 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.011 -1.957 20.312 1.00 1.00 C ATOM 0 H LEU A 50 46.044 -3.072 20.322 1.00 1.00 H new ATOM 0 HA LEU A 50 47.128 -0.639 21.601 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.747 -0.266 22.236 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.931 -0.417 20.500 1.00 1.00 H new ATOM 0 HG LEU A 50 44.581 -3.071 21.285 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.603 -3.040 22.780 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.022 -2.328 23.585 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.746 -1.273 22.933 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.315 -2.796 20.309 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.461 -1.029 20.469 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.531 -1.913 19.355 1.00 1.00 H new ATOM 737 N TRP A 51 46.192 -3.433 23.053 1.00 1.00 N ATOM 738 CA TRP A 51 46.265 -4.182 24.303 1.00 1.00 C ATOM 739 C TRP A 51 47.700 -4.219 24.819 1.00 1.00 C ATOM 740 O TRP A 51 47.974 -4.774 25.883 1.00 1.00 O ATOM 741 CB TRP A 51 45.761 -5.610 24.086 1.00 1.00 C ATOM 742 CG TRP A 51 45.467 -6.243 25.408 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.111 -7.318 25.915 1.00 1.00 C ATOM 744 CD2 TRP A 51 44.466 -5.862 26.396 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.572 -7.621 27.151 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.554 -6.753 27.492 1.00 1.00 C ATOM 747 CE3 TRP A 51 43.501 -4.840 26.449 1.00 1.00 C ATOM 748 CZ2 TRP A 51 43.715 -6.635 28.601 1.00 1.00 C ATOM 749 CZ3 TRP A 51 42.654 -4.718 27.563 1.00 1.00 C ATOM 750 CH2 TRP A 51 42.761 -5.614 28.636 1.00 1.00 C ATOM 0 H TRP A 51 45.850 -3.968 22.255 1.00 1.00 H new ATOM 0 HA TRP A 51 45.637 -3.685 25.042 1.00 1.00 H new ATOM 0 HB2 TRP A 51 44.863 -5.600 23.468 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.510 -6.193 23.550 1.00 1.00 H new ATOM 0 HD1 TRP A 51 46.916 -7.853 25.433 1.00 1.00 H new ATOM 0 HE1 TRP A 51 45.888 -8.392 27.740 1.00 1.00 H new ATOM 0 HE3 TRP A 51 43.411 -4.144 25.628 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 43.802 -7.327 29.426 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.916 -3.930 27.593 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.106 -5.515 29.489 1.00 1.00 H new ATOM 761 N THR A 52 48.612 -3.623 24.057 1.00 1.00 N ATOM 762 CA THR A 52 50.016 -3.591 24.445 1.00 1.00 C ATOM 763 C THR A 52 50.337 -2.305 25.198 1.00 1.00 C ATOM 764 O THR A 52 51.204 -2.285 26.072 1.00 1.00 O ATOM 765 CB THR A 52 50.902 -3.692 23.201 1.00 1.00 C ATOM 766 OG1 THR A 52 52.200 -4.128 23.579 1.00 1.00 O ATOM 767 CG2 THR A 52 50.998 -2.321 22.529 1.00 1.00 C ATOM 0 H THR A 52 48.405 -3.159 23.173 1.00 1.00 H new ATOM 0 HA THR A 52 50.211 -4.439 25.102 1.00 1.00 H new ATOM 0 HB THR A 52 50.468 -4.407 22.503 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.768 -4.194 22.783 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.629 -2.393 21.643 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.002 -1.988 22.239 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.432 -1.604 23.226 1.00 1.00 H new ATOM 775 N VAL A 53 49.634 -1.231 24.852 1.00 1.00 N ATOM 776 CA VAL A 53 49.853 0.056 25.501 1.00 1.00 C ATOM 777 C VAL A 53 49.294 0.043 26.922 1.00 1.00 C ATOM 778 O VAL A 53 50.030 0.238 27.889 1.00 1.00 O ATOM 779 CB VAL A 53 49.180 1.168 24.697 1.00 1.00 C ATOM 780 CG1 VAL A 53 49.226 2.474 25.491 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.917 1.354 23.369 1.00 1.00 C ATOM 0 H VAL A 53 48.913 -1.226 24.131 1.00 1.00 H new ATOM 0 HA VAL A 53 50.926 0.240 25.547 1.00 1.00 H new ATOM 0 HB VAL A 53 48.142 0.898 24.504 1.00 1.00 H new ATOM 0 HG11 VAL A 53 48.746 3.266 24.917 1.00 1.00 H new ATOM 0 HG12 VAL A 53 48.701 2.343 26.437 1.00 1.00 H new ATOM 0 HG13 VAL A 53 50.264 2.745 25.686 1.00 1.00 H new ATOM 0 HG21 VAL A 53 49.438 2.147 22.795 1.00 1.00 H new ATOM 0 HG22 VAL A 53 50.955 1.624 23.564 1.00 1.00 H new ATOM 0 HG23 VAL A 53 49.884 0.424 22.801 1.00 1.00 H new ATOM 791 N PHE A 54 47.991 -0.185 27.036 1.00 1.00 N ATOM 792 CA PHE A 54 47.343 -0.219 28.343 1.00 1.00 C ATOM 793 C PHE A 54 48.020 -1.240 29.252 1.00 1.00 C ATOM 794 O PHE A 54 47.810 -1.241 30.465 1.00 1.00 O ATOM 795 CB PHE A 54 45.864 -0.576 28.182 1.00 1.00 C ATOM 796 CG PHE A 54 45.534 -1.765 29.052 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.876 -3.056 28.633 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.883 -1.576 30.278 1.00 1.00 C ATOM 799 CE1 PHE A 54 45.569 -4.158 29.440 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.576 -2.678 31.084 1.00 1.00 C ATOM 801 CZ PHE A 54 44.919 -3.969 30.666 1.00 1.00 C ATOM 0 H PHE A 54 47.366 -0.348 26.247 1.00 1.00 H new ATOM 0 HA PHE A 54 47.431 0.768 28.798 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.242 0.275 28.459 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.646 -0.804 27.139 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.377 -3.202 27.687 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.618 -0.580 30.601 1.00 1.00 H new ATOM 0 HE1 PHE A 54 45.833 -5.154 29.117 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.074 -2.532 32.029 1.00 1.00 H new ATOM 0 HZ PHE A 54 44.682 -4.819 31.289 1.00 1.00 H new ATOM 811 N ARG A 55 48.834 -2.108 28.658 1.00 1.00 N ATOM 812 CA ARG A 55 49.535 -3.130 29.425 1.00 1.00 C ATOM 813 C ARG A 55 50.963 -2.688 29.729 1.00 1.00 C ATOM 814 O ARG A 55 51.480 -2.932 30.819 1.00 1.00 O ATOM 815 CB ARG A 55 49.562 -4.444 28.642 1.00 1.00 C ATOM 816 CG ARG A 55 50.252 -5.524 29.477 1.00 1.00 C ATOM 817 CD ARG A 55 49.341 -6.748 29.581 1.00 1.00 C ATOM 818 NE ARG A 55 48.164 -6.436 30.385 1.00 1.00 N ATOM 819 CZ ARG A 55 47.431 -7.399 30.933 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.759 -8.650 30.756 1.00 1.00 N ATOM 821 NH2 ARG A 55 46.383 -7.094 31.648 1.00 1.00 N ATOM 0 H ARG A 55 49.023 -2.124 27.656 1.00 1.00 H new ATOM 0 HA ARG A 55 49.005 -3.278 30.366 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.546 -4.754 28.396 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.090 -4.306 27.699 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.201 -5.802 29.019 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.478 -5.140 30.472 1.00 1.00 H new ATOM 0 HD2 ARG A 55 49.035 -7.068 28.585 1.00 1.00 H new ATOM 0 HD3 ARG A 55 49.886 -7.579 30.029 1.00 1.00 H new ATOM 0 HE ARG A 55 47.899 -5.461 30.529 1.00 1.00 H new ATOM 0 HH11 ARG A 55 48.578 -8.888 30.197 1.00 1.00 H new ATOM 0 HH12 ARG A 55 47.196 -9.389 31.177 1.00 1.00 H new ATOM 0 HH21 ARG A 55 46.127 -6.116 31.786 1.00 1.00 H new ATOM 0 HH22 ARG A 55 45.820 -7.833 32.069 1.00 1.00 H new ATOM 835 N LYS A 56 51.593 -2.034 28.759 1.00 1.00 N ATOM 836 CA LYS A 56 52.962 -1.562 28.934 1.00 1.00 C ATOM 837 C LYS A 56 53.076 -0.696 30.185 1.00 1.00 C ATOM 838 O LYS A 56 54.173 -0.307 30.584 1.00 1.00 O ATOM 839 CB LYS A 56 53.395 -0.753 27.709 1.00 1.00 C ATOM 840 CG LYS A 56 54.141 -1.665 26.733 1.00 1.00 C ATOM 841 CD LYS A 56 54.478 -0.886 25.460 1.00 1.00 C ATOM 842 CE LYS A 56 54.885 -1.862 24.357 1.00 1.00 C ATOM 843 NZ LYS A 56 56.024 -2.700 24.831 1.00 1.00 N ATOM 0 H LYS A 56 51.182 -1.820 27.850 1.00 1.00 H new ATOM 0 HA LYS A 56 53.614 -2.429 29.047 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.523 -0.316 27.222 1.00 1.00 H new ATOM 0 HB3 LYS A 56 54.037 0.073 28.014 1.00 1.00 H new ATOM 0 HG2 LYS A 56 55.054 -2.040 27.195 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.528 -2.533 26.489 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.616 -0.299 25.141 1.00 1.00 H new ATOM 0 HD3 LYS A 56 55.288 -0.183 25.655 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.040 -2.496 24.088 1.00 1.00 H new ATOM 0 HE3 LYS A 56 55.171 -1.314 23.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 56.486 -3.151 24.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.711 -2.101 25.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.670 -3.434 25.477 1.00 1.00 H new ATOM 857 N LYS A 57 51.936 -0.398 30.799 1.00 1.00 N ATOM 858 CA LYS A 57 51.923 0.422 32.005 1.00 1.00 C ATOM 859 C LYS A 57 52.319 -0.407 33.222 1.00 1.00 C ATOM 860 O LYS A 57 52.913 0.109 34.169 1.00 1.00 O ATOM 861 CB LYS A 57 50.527 1.013 32.219 1.00 1.00 C ATOM 862 CG LYS A 57 50.054 1.691 30.931 1.00 1.00 C ATOM 863 CD LYS A 57 51.029 2.809 30.555 1.00 1.00 C ATOM 864 CE LYS A 57 50.306 3.851 29.699 1.00 1.00 C ATOM 865 NZ LYS A 57 49.759 3.198 28.477 1.00 1.00 N ATOM 0 H LYS A 57 51.017 -0.709 30.485 1.00 1.00 H new ATOM 0 HA LYS A 57 52.645 1.229 31.881 1.00 1.00 H new ATOM 0 HB2 LYS A 57 49.828 0.227 32.506 1.00 1.00 H new ATOM 0 HB3 LYS A 57 50.548 1.735 33.035 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.993 0.961 30.124 1.00 1.00 H new ATOM 0 HG3 LYS A 57 49.052 2.098 31.069 1.00 1.00 H new ATOM 0 HD2 LYS A 57 51.428 3.276 31.455 1.00 1.00 H new ATOM 0 HD3 LYS A 57 51.877 2.398 30.007 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.500 4.310 30.271 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.994 4.649 29.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 50.038 3.744 27.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 50.135 2.231 28.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 48.721 3.162 28.537 1.00 1.00 H new ATOM 879 N GLY A 58 51.986 -1.693 33.191 1.00 1.00 N ATOM 880 CA GLY A 58 52.313 -2.584 34.298 1.00 1.00 C ATOM 881 C GLY A 58 51.781 -3.989 34.044 1.00 1.00 C ATOM 882 O GLY A 58 50.686 -4.338 34.484 1.00 1.00 O ATOM 0 H GLY A 58 51.493 -2.139 32.417 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.394 -2.620 34.434 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.889 -2.192 35.222 1.00 1.00 H new ATOM 886 N HIS A 59 52.562 -4.792 33.330 1.00 1.00 N ATOM 887 CA HIS A 59 52.161 -6.159 33.022 1.00 1.00 C ATOM 888 C HIS A 59 51.989 -6.970 34.302 1.00 1.00 C ATOM 889 O HIS A 59 51.438 -8.071 34.280 1.00 1.00 O ATOM 890 CB HIS A 59 53.213 -6.822 32.132 1.00 1.00 C ATOM 891 CG HIS A 59 53.672 -8.105 32.769 1.00 1.00 C ATOM 892 ND1 HIS A 59 52.947 -9.282 32.666 1.00 1.00 N ATOM 893 CD2 HIS A 59 54.780 -8.412 33.518 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.620 -10.234 33.337 1.00 1.00 C ATOM 895 NE2 HIS A 59 54.746 -9.757 33.877 1.00 1.00 N ATOM 0 H HIS A 59 53.471 -4.522 32.956 1.00 1.00 H new ATOM 0 HA HIS A 59 51.207 -6.128 32.496 1.00 1.00 H new ATOM 0 HB2 HIS A 59 52.796 -7.022 31.145 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.060 -6.151 31.990 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.560 -7.716 33.788 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.291 -11.259 33.428 1.00 1.00 H new ATOM 0 HE2 HIS A 59 55.432 -10.268 34.432 1.00 1.00 H new ATOM 903 N HIS A 60 52.461 -6.418 35.414 1.00 1.00 N ATOM 904 CA HIS A 60 52.354 -7.101 36.698 1.00 1.00 C ATOM 905 C HIS A 60 51.157 -6.576 37.486 1.00 1.00 C ATOM 906 O HIS A 60 50.733 -7.184 38.469 1.00 1.00 O ATOM 907 CB HIS A 60 53.633 -6.890 37.511 1.00 1.00 C ATOM 908 CG HIS A 60 54.585 -8.024 37.247 1.00 1.00 C ATOM 909 ND1 HIS A 60 54.313 -9.325 37.639 1.00 1.00 N ATOM 910 CD2 HIS A 60 55.813 -8.068 36.632 1.00 1.00 C ATOM 911 CE1 HIS A 60 55.352 -10.091 37.259 1.00 1.00 C ATOM 912 NE2 HIS A 60 56.294 -9.373 36.640 1.00 1.00 N ATOM 0 H HIS A 60 52.918 -5.507 35.453 1.00 1.00 H new ATOM 0 HA HIS A 60 52.214 -8.166 36.511 1.00 1.00 H new ATOM 0 HB2 HIS A 60 54.096 -5.941 37.241 1.00 1.00 H new ATOM 0 HB3 HIS A 60 53.397 -6.838 38.574 1.00 1.00 H new ATOM 0 HD2 HIS A 60 56.327 -7.218 36.207 1.00 1.00 H new ATOM 0 HE1 HIS A 60 55.417 -11.155 37.433 1.00 1.00 H new ATOM 0 HE2 HIS A 60 57.177 -9.710 36.256 1.00 1.00 H new ATOM 920 N HIS A 61 50.616 -5.444 37.046 1.00 1.00 N ATOM 921 CA HIS A 61 49.467 -4.847 37.718 1.00 1.00 C ATOM 922 C HIS A 61 49.726 -4.725 39.217 1.00 1.00 C ATOM 923 O HIS A 61 48.845 -4.992 40.032 1.00 1.00 O ATOM 924 CB HIS A 61 48.222 -5.703 37.482 1.00 1.00 C ATOM 925 CG HIS A 61 48.003 -5.874 36.004 1.00 1.00 C ATOM 926 ND1 HIS A 61 48.840 -6.650 35.218 1.00 1.00 N ATOM 927 CD2 HIS A 61 47.046 -5.377 35.155 1.00 1.00 C ATOM 928 CE1 HIS A 61 48.377 -6.598 33.956 1.00 1.00 C ATOM 929 NE2 HIS A 61 47.284 -5.835 33.862 1.00 1.00 N ATOM 0 H HIS A 61 50.951 -4.925 36.234 1.00 1.00 H new ATOM 0 HA HIS A 61 49.307 -3.851 37.306 1.00 1.00 H new ATOM 0 HB2 HIS A 61 48.342 -6.676 37.958 1.00 1.00 H new ATOM 0 HB3 HIS A 61 47.351 -5.231 37.937 1.00 1.00 H new ATOM 0 HD1 HIS A 61 49.659 -7.167 35.538 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.232 -4.729 35.446 1.00 1.00 H new ATOM 0 HE1 HIS A 61 48.833 -7.110 33.121 1.00 1.00 H new ATOM 937 N HIS A 62 50.942 -4.320 39.570 1.00 1.00 N ATOM 938 CA HIS A 62 51.306 -4.166 40.975 1.00 1.00 C ATOM 939 C HIS A 62 51.206 -2.704 41.397 1.00 1.00 C ATOM 940 O HIS A 62 51.335 -2.379 42.577 1.00 1.00 O ATOM 941 CB HIS A 62 52.733 -4.668 41.203 1.00 1.00 C ATOM 942 CG HIS A 62 52.698 -5.912 42.047 1.00 1.00 C ATOM 943 ND1 HIS A 62 51.970 -5.986 43.224 1.00 1.00 N ATOM 944 CD2 HIS A 62 53.295 -7.140 41.899 1.00 1.00 C ATOM 945 CE1 HIS A 62 52.145 -7.219 43.734 1.00 1.00 C ATOM 946 NE2 HIS A 62 52.944 -7.963 42.964 1.00 1.00 N ATOM 0 H HIS A 62 51.686 -4.094 38.910 1.00 1.00 H new ATOM 0 HA HIS A 62 50.613 -4.755 41.577 1.00 1.00 H new ATOM 0 HB2 HIS A 62 53.213 -4.878 40.247 1.00 1.00 H new ATOM 0 HB3 HIS A 62 53.326 -3.898 41.696 1.00 1.00 H new ATOM 0 HD2 HIS A 62 53.939 -7.424 41.080 1.00 1.00 H new ATOM 0 HE1 HIS A 62 51.695 -7.565 44.653 1.00 1.00 H new ATOM 0 HE2 HIS A 62 53.234 -8.928 43.123 1.00 1.00 H new ATOM 954 N HIS A 63 50.974 -1.827 40.426 1.00 1.00 N ATOM 955 CA HIS A 63 50.858 -0.401 40.709 1.00 1.00 C ATOM 956 C HIS A 63 49.866 0.257 39.756 1.00 1.00 C ATOM 957 O HIS A 63 50.202 0.568 38.613 1.00 1.00 O ATOM 958 CB HIS A 63 52.225 0.272 40.572 1.00 1.00 C ATOM 959 CG HIS A 63 53.137 -0.219 41.662 1.00 1.00 C ATOM 960 ND1 HIS A 63 52.772 -0.194 42.999 1.00 1.00 N ATOM 961 CD2 HIS A 63 54.403 -0.749 41.629 1.00 1.00 C ATOM 962 CE1 HIS A 63 53.798 -0.696 43.709 1.00 1.00 C ATOM 963 NE2 HIS A 63 54.819 -1.050 42.924 1.00 1.00 N ATOM 0 H HIS A 63 50.863 -2.076 39.443 1.00 1.00 H new ATOM 0 HA HIS A 63 50.496 -0.282 41.730 1.00 1.00 H new ATOM 0 HB2 HIS A 63 52.655 0.050 39.596 1.00 1.00 H new ATOM 0 HB3 HIS A 63 52.117 1.355 40.634 1.00 1.00 H new ATOM 0 HD2 HIS A 63 54.988 -0.908 40.735 1.00 1.00 H new ATOM 0 HE1 HIS A 63 53.797 -0.800 44.784 1.00 1.00 H new ATOM 0 HE2 HIS A 63 55.711 -1.454 43.211 1.00 1.00 H new ATOM 971 N HIS A 64 48.644 0.466 40.232 1.00 1.00 N ATOM 972 CA HIS A 64 47.610 1.088 39.413 1.00 1.00 C ATOM 973 C HIS A 64 47.904 2.572 39.215 1.00 1.00 C ATOM 974 O HIS A 64 47.073 3.376 39.605 1.00 1.00 O ATOM 975 CB HIS A 64 46.244 0.920 40.078 1.00 1.00 C ATOM 976 CG HIS A 64 46.257 1.586 41.426 1.00 1.00 C ATOM 977 ND1 HIS A 64 47.304 2.394 41.841 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.357 1.576 42.463 1.00 1.00 C ATOM 979 CE1 HIS A 64 47.013 2.832 43.079 1.00 1.00 C ATOM 980 NE2 HIS A 64 45.838 2.363 43.507 1.00 1.00 N ATOM 981 OXT HIS A 64 48.953 2.882 38.678 1.00 1.00 O ATOM 0 H HIS A 64 48.346 0.216 41.175 1.00 1.00 H new ATOM 0 HA HIS A 64 47.601 0.598 38.439 1.00 1.00 H new ATOM 0 HB2 HIS A 64 45.467 1.358 39.452 1.00 1.00 H new ATOM 0 HB3 HIS A 64 46.008 -0.139 40.186 1.00 1.00 H new ATOM 0 HD2 HIS A 64 44.419 1.040 42.468 1.00 1.00 H new ATOM 0 HE1 HIS A 64 47.652 3.484 43.657 1.00 1.00 H new ATOM 0 HE2 HIS A 64 45.389 2.542 44.405 1.00 1.00 H new TER 989 HIS A 64