USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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 62 HIS : no HD1:sc= -0.46 X(o=-0.91,f=-0.47) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.454 X(o=-0.91,f=-1.1) USER MOD Set 2.1: A 44 THR OG1 : rot 91:sc= -4.36! USER MOD Set 2.2: A 46 ASN : amide:sc= -6.74! C(o=-11!,f=-15!) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= -0.417 USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.754) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -3.52! C(o=-11!,f=-3.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -9.32! C(o=-9.3!,f=-10!) USER MOD Single : A 17 SER OG : rot -45:sc= -0.379! USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -59:sc= 0.607 USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.00441) 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 180:sc= -0.685 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.024) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.460 -9.749 -0.739 1.00 1.00 N ATOM 2 CA MET A 1 30.660 -11.068 -1.405 1.00 1.00 C ATOM 3 C MET A 1 30.017 -11.039 -2.787 1.00 1.00 C ATOM 4 O MET A 1 28.794 -10.998 -2.913 1.00 1.00 O ATOM 5 CB MET A 1 30.021 -12.168 -0.555 1.00 1.00 C ATOM 6 CG MET A 1 30.526 -13.533 -1.021 1.00 1.00 C ATOM 7 SD MET A 1 29.244 -14.780 -0.742 1.00 1.00 S ATOM 8 CE MET A 1 29.045 -14.507 1.036 1.00 1.00 C ATOM 0 H1 MET A 1 30.898 -9.766 0.204 1.00 1.00 H new ATOM 0 H2 MET A 1 30.900 -9.001 -1.311 1.00 1.00 H new ATOM 0 H3 MET A 1 29.442 -9.559 -0.645 1.00 1.00 H new ATOM 0 HA MET A 1 31.726 -11.270 -1.510 1.00 1.00 H new ATOM 0 HB2 MET A 1 30.266 -12.018 0.496 1.00 1.00 H new ATOM 0 HB3 MET A 1 28.935 -12.122 -0.639 1.00 1.00 H new ATOM 0 HG2 MET A 1 30.786 -13.494 -2.079 1.00 1.00 H new ATOM 0 HG3 MET A 1 31.433 -13.801 -0.479 1.00 1.00 H new ATOM 0 HE1 MET A 1 28.577 -15.381 1.488 1.00 1.00 H new ATOM 0 HE2 MET A 1 30.022 -14.342 1.490 1.00 1.00 H new ATOM 0 HE3 MET A 1 28.416 -13.633 1.202 1.00 1.00 H new ATOM 20 N GLU A 2 30.851 -11.061 -3.822 1.00 1.00 N ATOM 21 CA GLU A 2 30.352 -11.037 -5.192 1.00 1.00 C ATOM 22 C GLU A 2 30.038 -12.450 -5.673 1.00 1.00 C ATOM 23 O GLU A 2 29.504 -12.641 -6.766 1.00 1.00 O ATOM 24 CB GLU A 2 31.393 -10.402 -6.116 1.00 1.00 C ATOM 25 CG GLU A 2 31.193 -8.885 -6.144 1.00 1.00 C ATOM 26 CD GLU A 2 30.137 -8.517 -7.180 1.00 1.00 C ATOM 27 OE1 GLU A 2 29.077 -9.121 -7.157 1.00 1.00 O ATOM 28 OE2 GLU A 2 30.403 -7.637 -7.983 1.00 1.00 O ATOM 0 H GLU A 2 31.867 -11.095 -3.740 1.00 1.00 H new ATOM 0 HA GLU A 2 29.437 -10.446 -5.215 1.00 1.00 H new ATOM 0 HB2 GLU A 2 32.398 -10.641 -5.768 1.00 1.00 H new ATOM 0 HB3 GLU A 2 31.299 -10.811 -7.122 1.00 1.00 H new ATOM 0 HG2 GLU A 2 30.887 -8.532 -5.159 1.00 1.00 H new ATOM 0 HG3 GLU A 2 32.135 -8.390 -6.381 1.00 1.00 H new ATOM 35 N GLU A 3 30.372 -13.438 -4.850 1.00 1.00 N ATOM 36 CA GLU A 3 30.121 -14.831 -5.201 1.00 1.00 C ATOM 37 C GLU A 3 30.848 -15.197 -6.490 1.00 1.00 C ATOM 38 O GLU A 3 30.528 -16.198 -7.132 1.00 1.00 O ATOM 39 CB GLU A 3 28.618 -15.062 -5.377 1.00 1.00 C ATOM 40 CG GLU A 3 28.185 -16.267 -4.539 1.00 1.00 C ATOM 41 CD GLU A 3 26.745 -16.641 -4.870 1.00 1.00 C ATOM 42 OE1 GLU A 3 26.519 -17.144 -5.958 1.00 1.00 O ATOM 43 OE2 GLU A 3 25.888 -16.419 -4.031 1.00 1.00 O ATOM 0 H GLU A 3 30.814 -13.302 -3.941 1.00 1.00 H new ATOM 0 HA GLU A 3 30.494 -15.463 -4.395 1.00 1.00 H new ATOM 0 HB2 GLU A 3 28.065 -14.175 -5.070 1.00 1.00 H new ATOM 0 HB3 GLU A 3 28.386 -15.234 -6.428 1.00 1.00 H new ATOM 0 HG2 GLU A 3 28.844 -17.113 -4.736 1.00 1.00 H new ATOM 0 HG3 GLU A 3 28.274 -16.034 -3.478 1.00 1.00 H new ATOM 50 N GLY A 4 31.828 -14.381 -6.864 1.00 1.00 N ATOM 51 CA GLY A 4 32.594 -14.630 -8.080 1.00 1.00 C ATOM 52 C GLY A 4 33.636 -13.538 -8.299 1.00 1.00 C ATOM 53 O GLY A 4 33.313 -12.351 -8.310 1.00 1.00 O ATOM 0 H GLY A 4 32.109 -13.548 -6.347 1.00 1.00 H new ATOM 0 HA2 GLY A 4 33.086 -15.600 -8.012 1.00 1.00 H new ATOM 0 HA3 GLY A 4 31.921 -14.673 -8.936 1.00 1.00 H new ATOM 57 N GLY A 5 34.888 -13.949 -8.473 1.00 1.00 N ATOM 58 CA GLY A 5 35.970 -12.996 -8.691 1.00 1.00 C ATOM 59 C GLY A 5 37.323 -13.699 -8.683 1.00 1.00 C ATOM 60 O GLY A 5 37.945 -13.856 -7.632 1.00 1.00 O ATOM 0 H GLY A 5 35.177 -14.927 -8.467 1.00 1.00 H new ATOM 0 HA2 GLY A 5 35.826 -12.487 -9.644 1.00 1.00 H new ATOM 0 HA3 GLY A 5 35.948 -12.231 -7.915 1.00 1.00 H new ATOM 64 N ASP A 6 37.775 -14.118 -9.861 1.00 1.00 N ATOM 65 CA ASP A 6 39.057 -14.804 -9.976 1.00 1.00 C ATOM 66 C ASP A 6 39.708 -14.498 -11.322 1.00 1.00 C ATOM 67 O ASP A 6 40.670 -15.155 -11.720 1.00 1.00 O ATOM 68 CB ASP A 6 38.857 -16.313 -9.835 1.00 1.00 C ATOM 69 CG ASP A 6 38.646 -16.677 -8.369 1.00 1.00 C ATOM 70 OD1 ASP A 6 39.463 -16.276 -7.557 1.00 1.00 O ATOM 71 OD2 ASP A 6 37.671 -17.349 -8.081 1.00 1.00 O ATOM 0 H ASP A 6 37.277 -13.996 -10.743 1.00 1.00 H new ATOM 0 HA ASP A 6 39.711 -14.449 -9.179 1.00 1.00 H new ATOM 0 HB2 ASP A 6 37.997 -16.631 -10.424 1.00 1.00 H new ATOM 0 HB3 ASP A 6 39.726 -16.841 -10.228 1.00 1.00 H new ATOM 76 N PHE A 7 39.176 -13.497 -12.017 1.00 1.00 N ATOM 77 CA PHE A 7 39.715 -13.114 -13.318 1.00 1.00 C ATOM 78 C PHE A 7 39.281 -11.698 -13.680 1.00 1.00 C ATOM 79 O PHE A 7 38.580 -11.487 -14.669 1.00 1.00 O ATOM 80 CB PHE A 7 39.229 -14.089 -14.392 1.00 1.00 C ATOM 81 CG PHE A 7 37.720 -14.106 -14.411 1.00 1.00 C ATOM 82 CD1 PHE A 7 37.015 -14.769 -13.398 1.00 1.00 C ATOM 83 CD2 PHE A 7 37.025 -13.462 -15.440 1.00 1.00 C ATOM 84 CE1 PHE A 7 35.615 -14.786 -13.416 1.00 1.00 C ATOM 85 CE2 PHE A 7 35.625 -13.479 -15.459 1.00 1.00 C ATOM 86 CZ PHE A 7 34.921 -14.141 -14.446 1.00 1.00 C ATOM 0 H PHE A 7 38.380 -12.941 -11.705 1.00 1.00 H new ATOM 0 HA PHE A 7 40.803 -13.146 -13.264 1.00 1.00 H new ATOM 0 HB2 PHE A 7 39.612 -13.792 -15.368 1.00 1.00 H new ATOM 0 HB3 PHE A 7 39.612 -15.089 -14.190 1.00 1.00 H new ATOM 0 HD1 PHE A 7 37.551 -15.267 -12.604 1.00 1.00 H new ATOM 0 HD2 PHE A 7 37.569 -12.951 -16.221 1.00 1.00 H new ATOM 0 HE1 PHE A 7 35.071 -15.297 -12.635 1.00 1.00 H new ATOM 0 HE2 PHE A 7 35.089 -12.982 -16.254 1.00 1.00 H new ATOM 0 HZ PHE A 7 33.841 -14.154 -14.459 1.00 1.00 H new ATOM 96 N ASP A 8 39.704 -10.730 -12.873 1.00 1.00 N ATOM 97 CA ASP A 8 39.354 -9.336 -13.119 1.00 1.00 C ATOM 98 C ASP A 8 40.365 -8.405 -12.458 1.00 1.00 C ATOM 99 O ASP A 8 40.012 -7.599 -11.598 1.00 1.00 O ATOM 100 CB ASP A 8 37.955 -9.044 -12.571 1.00 1.00 C ATOM 101 CG ASP A 8 36.897 -9.601 -13.518 1.00 1.00 C ATOM 102 OD1 ASP A 8 37.076 -9.468 -14.717 1.00 1.00 O ATOM 103 OD2 ASP A 8 35.924 -10.151 -13.030 1.00 1.00 O ATOM 0 H ASP A 8 40.285 -10.884 -12.049 1.00 1.00 H new ATOM 0 HA ASP A 8 39.366 -9.163 -14.195 1.00 1.00 H new ATOM 0 HB2 ASP A 8 37.842 -9.491 -11.583 1.00 1.00 H new ATOM 0 HB3 ASP A 8 37.819 -7.969 -12.452 1.00 1.00 H new ATOM 108 N ASN A 9 41.624 -8.522 -12.868 1.00 1.00 N ATOM 109 CA ASN A 9 42.680 -7.687 -12.310 1.00 1.00 C ATOM 110 C ASN A 9 43.029 -6.558 -13.272 1.00 1.00 C ATOM 111 O ASN A 9 42.254 -5.617 -13.448 1.00 1.00 O ATOM 112 CB ASN A 9 43.921 -8.538 -12.040 1.00 1.00 C ATOM 113 CG ASN A 9 44.254 -9.380 -13.268 1.00 1.00 C ATOM 114 OD1 ASN A 9 43.732 -9.068 -14.422 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 45.009 -10.347 -13.172 1.00 1.00 N flip ATOM 0 H ASN A 9 41.936 -9.183 -13.580 1.00 1.00 H new ATOM 0 HA ASN A 9 42.327 -7.253 -11.375 1.00 1.00 H new ATOM 0 HB2 ASN A 9 44.765 -7.895 -11.790 1.00 1.00 H new ATOM 0 HB3 ASN A 9 43.748 -9.186 -11.181 1.00 1.00 H new ATOM 0 HD21 ASN A 9 45.416 -10.589 -12.268 1.00 1.00 H new ATOM 0 HD22 ASN A 9 45.228 -10.907 -13.996 1.00 1.00 H new ATOM 122 N TYR A 10 44.198 -6.657 -13.895 1.00 1.00 N ATOM 123 CA TYR A 10 44.636 -5.639 -14.841 1.00 1.00 C ATOM 124 C TYR A 10 43.725 -5.620 -16.064 1.00 1.00 C ATOM 125 O TYR A 10 43.966 -4.882 -17.019 1.00 1.00 O ATOM 126 CB TYR A 10 46.075 -5.917 -15.279 1.00 1.00 C ATOM 127 CG TYR A 10 47.025 -5.477 -14.191 1.00 1.00 C ATOM 128 CD1 TYR A 10 47.276 -4.115 -13.987 1.00 1.00 C ATOM 129 CD2 TYR A 10 47.657 -6.433 -13.386 1.00 1.00 C ATOM 130 CE1 TYR A 10 48.158 -3.708 -12.980 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.539 -6.026 -12.377 1.00 1.00 C ATOM 132 CZ TYR A 10 48.790 -4.663 -12.175 1.00 1.00 C ATOM 133 OH TYR A 10 49.658 -4.262 -11.181 1.00 1.00 O ATOM 0 H TYR A 10 44.855 -7.426 -13.763 1.00 1.00 H new ATOM 0 HA TYR A 10 44.588 -4.667 -14.350 1.00 1.00 H new ATOM 0 HB2 TYR A 10 46.206 -6.980 -15.483 1.00 1.00 H new ATOM 0 HB3 TYR A 10 46.294 -5.385 -16.205 1.00 1.00 H new ATOM 0 HD1 TYR A 10 46.788 -3.378 -14.607 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.464 -7.484 -13.543 1.00 1.00 H new ATOM 0 HE1 TYR A 10 48.351 -2.657 -12.824 1.00 1.00 H new ATOM 0 HE2 TYR A 10 49.025 -6.763 -11.755 1.00 1.00 H new ATOM 0 HH TYR A 10 50.009 -5.050 -10.716 1.00 1.00 H new ATOM 143 N TYR A 11 42.676 -6.436 -16.027 1.00 1.00 N ATOM 144 CA TYR A 11 41.734 -6.504 -17.139 1.00 1.00 C ATOM 145 C TYR A 11 42.448 -6.913 -18.423 1.00 1.00 C ATOM 146 O TYR A 11 42.184 -6.365 -19.493 1.00 1.00 O ATOM 147 CB TYR A 11 41.062 -5.145 -17.336 1.00 1.00 C ATOM 148 CG TYR A 11 41.043 -4.396 -16.025 1.00 1.00 C ATOM 149 CD1 TYR A 11 40.161 -4.786 -15.010 1.00 1.00 C ATOM 150 CD2 TYR A 11 41.910 -3.316 -15.823 1.00 1.00 C ATOM 151 CE1 TYR A 11 40.144 -4.094 -13.793 1.00 1.00 C ATOM 152 CE2 TYR A 11 41.893 -2.623 -14.605 1.00 1.00 C ATOM 153 CZ TYR A 11 41.011 -3.012 -13.591 1.00 1.00 C ATOM 154 OH TYR A 11 40.994 -2.330 -12.392 1.00 1.00 O ATOM 0 H TYR A 11 42.458 -7.055 -15.246 1.00 1.00 H new ATOM 0 HA TYR A 11 40.977 -7.253 -16.905 1.00 1.00 H new ATOM 0 HB2 TYR A 11 41.599 -4.568 -18.089 1.00 1.00 H new ATOM 0 HB3 TYR A 11 40.045 -5.281 -17.704 1.00 1.00 H new ATOM 0 HD1 TYR A 11 39.494 -5.621 -15.166 1.00 1.00 H new ATOM 0 HD2 TYR A 11 42.592 -3.017 -16.605 1.00 1.00 H new ATOM 0 HE1 TYR A 11 39.463 -4.394 -13.010 1.00 1.00 H new ATOM 0 HE2 TYR A 11 42.561 -1.789 -14.449 1.00 1.00 H new ATOM 0 HH TYR A 11 41.657 -1.609 -12.416 1.00 1.00 H new ATOM 164 N GLY A 12 43.353 -7.880 -18.309 1.00 1.00 N ATOM 165 CA GLY A 12 44.098 -8.353 -19.470 1.00 1.00 C ATOM 166 C GLY A 12 45.289 -9.204 -19.043 1.00 1.00 C ATOM 167 O GLY A 12 45.364 -10.391 -19.365 1.00 1.00 O ATOM 0 H GLY A 12 43.587 -8.348 -17.433 1.00 1.00 H new ATOM 0 HA2 GLY A 12 43.441 -8.937 -20.115 1.00 1.00 H new ATOM 0 HA3 GLY A 12 44.446 -7.502 -20.056 1.00 1.00 H new ATOM 171 N ALA A 13 46.218 -8.593 -18.316 1.00 1.00 N ATOM 172 CA ALA A 13 47.402 -9.305 -17.849 1.00 1.00 C ATOM 173 C ALA A 13 48.460 -8.323 -17.358 1.00 1.00 C ATOM 174 O ALA A 13 48.816 -8.316 -16.180 1.00 1.00 O ATOM 175 CB ALA A 13 47.978 -10.156 -18.982 1.00 1.00 C ATOM 0 H ALA A 13 46.175 -7.612 -18.039 1.00 1.00 H new ATOM 0 HA ALA A 13 47.112 -9.951 -17.020 1.00 1.00 H new ATOM 0 HB1 ALA A 13 48.862 -10.685 -18.626 1.00 1.00 H new ATOM 0 HB2 ALA A 13 47.231 -10.878 -19.311 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.252 -9.512 -19.818 1.00 1.00 H new ATOM 181 N ASP A 14 48.959 -7.494 -18.270 1.00 1.00 N ATOM 182 CA ASP A 14 49.977 -6.510 -17.919 1.00 1.00 C ATOM 183 C ASP A 14 51.222 -7.199 -17.373 1.00 1.00 C ATOM 184 O ASP A 14 51.722 -6.845 -16.304 1.00 1.00 O ATOM 185 CB ASP A 14 49.426 -5.541 -16.871 1.00 1.00 C ATOM 186 CG ASP A 14 50.339 -4.325 -16.753 1.00 1.00 C ATOM 187 OD1 ASP A 14 50.451 -3.595 -17.725 1.00 1.00 O ATOM 188 OD2 ASP A 14 50.912 -4.140 -15.693 1.00 1.00 O ATOM 0 H ASP A 14 48.678 -7.484 -19.250 1.00 1.00 H new ATOM 0 HA ASP A 14 50.247 -5.957 -18.819 1.00 1.00 H new ATOM 0 HB2 ASP A 14 48.420 -5.225 -17.149 1.00 1.00 H new ATOM 0 HB3 ASP A 14 49.348 -6.042 -15.906 1.00 1.00 H new ATOM 193 N ASN A 15 51.720 -8.185 -18.113 1.00 1.00 N ATOM 194 CA ASN A 15 52.909 -8.917 -17.693 1.00 1.00 C ATOM 195 C ASN A 15 53.837 -9.158 -18.880 1.00 1.00 C ATOM 196 O ASN A 15 54.911 -9.739 -18.732 1.00 1.00 O ATOM 197 CB ASN A 15 52.507 -10.258 -17.077 1.00 1.00 C ATOM 198 CG ASN A 15 52.681 -10.210 -15.564 1.00 1.00 C ATOM 199 OD1 ASN A 15 51.705 -10.055 -14.830 1.00 1.00 O ATOM 200 ND2 ASN A 15 53.874 -10.334 -15.049 1.00 1.00 N ATOM 0 H ASN A 15 51.322 -8.494 -19.000 1.00 1.00 H new ATOM 0 HA ASN A 15 53.436 -8.320 -16.949 1.00 1.00 H new ATOM 0 HB2 ASN A 15 51.470 -10.485 -17.325 1.00 1.00 H new ATOM 0 HB3 ASN A 15 53.118 -11.058 -17.496 1.00 1.00 H new ATOM 0 HD21 ASN A 15 53.998 -10.303 -14.037 1.00 1.00 H new ATOM 0 HD22 ASN A 15 54.682 -10.462 -15.658 1.00 1.00 H new ATOM 207 N GLN A 16 53.414 -8.708 -20.057 1.00 1.00 N ATOM 208 CA GLN A 16 54.215 -8.880 -21.262 1.00 1.00 C ATOM 209 C GLN A 16 55.653 -8.431 -21.019 1.00 1.00 C ATOM 210 O GLN A 16 56.569 -8.832 -21.737 1.00 1.00 O ATOM 211 CB GLN A 16 53.608 -8.080 -22.419 1.00 1.00 C ATOM 212 CG GLN A 16 53.910 -6.588 -22.243 1.00 1.00 C ATOM 213 CD GLN A 16 53.630 -6.159 -20.806 1.00 1.00 C ATOM 214 OE1 GLN A 16 52.558 -6.442 -20.272 1.00 1.00 O ATOM 215 NE2 GLN A 16 54.535 -5.489 -20.146 1.00 1.00 N ATOM 0 H GLN A 16 52.527 -8.225 -20.201 1.00 1.00 H new ATOM 0 HA GLN A 16 54.219 -9.938 -21.524 1.00 1.00 H new ATOM 0 HB2 GLN A 16 54.014 -8.432 -23.367 1.00 1.00 H new ATOM 0 HB3 GLN A 16 52.530 -8.239 -22.455 1.00 1.00 H new ATOM 0 HG2 GLN A 16 54.952 -6.389 -22.493 1.00 1.00 H new ATOM 0 HG3 GLN A 16 53.299 -6.002 -22.930 1.00 1.00 H new ATOM 0 HE21 GLN A 16 55.423 -5.256 -20.591 1.00 1.00 H new ATOM 0 HE22 GLN A 16 54.355 -5.199 -19.185 1.00 1.00 H new ATOM 224 N SER A 17 55.845 -7.596 -20.002 1.00 1.00 N ATOM 225 CA SER A 17 57.176 -7.100 -19.674 1.00 1.00 C ATOM 226 C SER A 17 57.173 -6.418 -18.310 1.00 1.00 C ATOM 227 O SER A 17 57.405 -5.213 -18.207 1.00 1.00 O ATOM 228 CB SER A 17 57.644 -6.110 -20.740 1.00 1.00 C ATOM 229 OG SER A 17 57.255 -6.581 -22.024 1.00 1.00 O ATOM 0 H SER A 17 55.101 -7.251 -19.395 1.00 1.00 H new ATOM 0 HA SER A 17 57.860 -7.948 -19.642 1.00 1.00 H new ATOM 0 HB2 SER A 17 57.211 -5.127 -20.554 1.00 1.00 H new ATOM 0 HB3 SER A 17 58.727 -5.995 -20.695 1.00 1.00 H new ATOM 0 HG SER A 17 57.452 -7.538 -22.095 1.00 1.00 H new ATOM 235 N GLU A 18 56.910 -7.196 -17.265 1.00 1.00 N ATOM 236 CA GLU A 18 56.880 -6.656 -15.910 1.00 1.00 C ATOM 237 C GLU A 18 57.113 -7.762 -14.887 1.00 1.00 C ATOM 238 O GLU A 18 56.416 -8.777 -14.885 1.00 1.00 O ATOM 239 CB GLU A 18 55.530 -5.988 -15.644 1.00 1.00 C ATOM 240 CG GLU A 18 55.362 -5.756 -14.141 1.00 1.00 C ATOM 241 CD GLU A 18 54.311 -4.680 -13.893 1.00 1.00 C ATOM 242 OE1 GLU A 18 53.145 -4.953 -14.128 1.00 1.00 O ATOM 243 OE2 GLU A 18 54.686 -3.598 -13.474 1.00 1.00 O ATOM 0 H GLU A 18 56.716 -8.195 -17.329 1.00 1.00 H new ATOM 0 HA GLU A 18 57.676 -5.917 -15.816 1.00 1.00 H new ATOM 0 HB2 GLU A 18 55.470 -5.040 -16.178 1.00 1.00 H new ATOM 0 HB3 GLU A 18 54.722 -6.616 -16.018 1.00 1.00 H new ATOM 0 HG2 GLU A 18 55.066 -6.684 -13.652 1.00 1.00 H new ATOM 0 HG3 GLU A 18 56.313 -5.454 -13.703 1.00 1.00 H new ATOM 250 N CYS A 19 58.098 -7.559 -14.018 1.00 1.00 N ATOM 251 CA CYS A 19 58.414 -8.547 -12.992 1.00 1.00 C ATOM 252 C CYS A 19 58.700 -9.905 -13.626 1.00 1.00 C ATOM 253 O CYS A 19 58.719 -10.927 -12.941 1.00 1.00 O ATOM 254 CB CYS A 19 57.247 -8.674 -12.012 1.00 1.00 C ATOM 255 SG CYS A 19 56.906 -7.059 -11.268 1.00 1.00 S ATOM 0 H CYS A 19 58.687 -6.726 -14.003 1.00 1.00 H new ATOM 0 HA CYS A 19 59.303 -8.215 -12.456 1.00 1.00 H new ATOM 0 HB2 CYS A 19 56.361 -9.042 -12.530 1.00 1.00 H new ATOM 0 HB3 CYS A 19 57.487 -9.401 -11.236 1.00 1.00 H new ATOM 0 HG CYS A 19 55.912 -7.165 -10.436 1.00 1.00 H new ATOM 261 N GLU A 20 58.922 -9.906 -14.936 1.00 1.00 N ATOM 262 CA GLU A 20 59.206 -11.144 -15.652 1.00 1.00 C ATOM 263 C GLU A 20 60.518 -11.753 -15.167 1.00 1.00 C ATOM 264 O GLU A 20 60.959 -12.784 -15.675 1.00 1.00 O ATOM 265 CB GLU A 20 59.292 -10.870 -17.154 1.00 1.00 C ATOM 266 CG GLU A 20 58.682 -12.044 -17.924 1.00 1.00 C ATOM 267 CD GLU A 20 57.162 -11.932 -17.926 1.00 1.00 C ATOM 268 OE1 GLU A 20 56.623 -11.412 -16.962 1.00 1.00 O ATOM 269 OE2 GLU A 20 56.557 -12.368 -18.891 1.00 1.00 O ATOM 0 H GLU A 20 58.911 -9.070 -15.520 1.00 1.00 H new ATOM 0 HA GLU A 20 58.398 -11.849 -15.458 1.00 1.00 H new ATOM 0 HB2 GLU A 20 58.763 -9.948 -17.397 1.00 1.00 H new ATOM 0 HB3 GLU A 20 60.332 -10.729 -17.450 1.00 1.00 H new ATOM 0 HG2 GLU A 20 59.056 -12.052 -18.948 1.00 1.00 H new ATOM 0 HG3 GLU A 20 58.985 -12.986 -17.467 1.00 1.00 H new ATOM 276 N TYR A 21 61.136 -11.108 -14.183 1.00 1.00 N ATOM 277 CA TYR A 21 62.398 -11.595 -13.639 1.00 1.00 C ATOM 278 C TYR A 21 62.162 -12.809 -12.745 1.00 1.00 C ATOM 279 O TYR A 21 62.892 -13.031 -11.778 1.00 1.00 O ATOM 280 CB TYR A 21 63.080 -10.490 -12.831 1.00 1.00 C ATOM 281 CG TYR A 21 64.557 -10.477 -13.141 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.034 -9.769 -14.249 1.00 1.00 C ATOM 283 CD2 TYR A 21 65.451 -11.173 -12.317 1.00 1.00 C ATOM 284 CE1 TYR A 21 66.404 -9.756 -14.536 1.00 1.00 C ATOM 285 CE2 TYR A 21 66.820 -11.162 -12.605 1.00 1.00 C ATOM 286 CZ TYR A 21 67.298 -10.453 -13.714 1.00 1.00 C ATOM 287 OH TYR A 21 68.648 -10.442 -13.997 1.00 1.00 O ATOM 0 H TYR A 21 60.787 -10.254 -13.749 1.00 1.00 H new ATOM 0 HA TYR A 21 63.041 -11.887 -14.469 1.00 1.00 H new ATOM 0 HB2 TYR A 21 62.639 -9.523 -13.073 1.00 1.00 H new ATOM 0 HB3 TYR A 21 62.923 -10.655 -11.765 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.345 -9.232 -14.884 1.00 1.00 H new ATOM 0 HD2 TYR A 21 65.084 -11.718 -11.460 1.00 1.00 H new ATOM 0 HE1 TYR A 21 66.771 -9.208 -15.391 1.00 1.00 H new ATOM 0 HE2 TYR A 21 67.509 -11.701 -11.971 1.00 1.00 H new ATOM 0 HH TYR A 21 69.127 -10.974 -13.328 1.00 1.00 H new ATOM 297 N THR A 22 61.140 -13.591 -13.075 1.00 1.00 N ATOM 298 CA THR A 22 60.818 -14.780 -12.295 1.00 1.00 C ATOM 299 C THR A 22 60.459 -14.400 -10.862 1.00 1.00 C ATOM 300 O THR A 22 60.914 -15.033 -9.909 1.00 1.00 O ATOM 301 CB THR A 22 62.010 -15.740 -12.287 1.00 1.00 C ATOM 302 OG1 THR A 22 62.920 -15.353 -11.267 1.00 1.00 O ATOM 303 CG2 THR A 22 62.713 -15.694 -13.644 1.00 1.00 C ATOM 0 H THR A 22 60.524 -13.425 -13.871 1.00 1.00 H new ATOM 0 HA THR A 22 59.960 -15.271 -12.755 1.00 1.00 H new ATOM 0 HB THR A 22 61.659 -16.754 -12.096 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.218 -14.433 -11.426 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.562 -16.378 -13.637 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.014 -15.991 -14.426 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.065 -14.681 -13.837 1.00 1.00 H new ATOM 311 N ASP A 23 59.643 -13.362 -10.718 1.00 1.00 N ATOM 312 CA ASP A 23 59.229 -12.906 -9.395 1.00 1.00 C ATOM 313 C ASP A 23 57.743 -12.563 -9.388 1.00 1.00 C ATOM 314 O ASP A 23 57.215 -12.069 -8.391 1.00 1.00 O ATOM 315 CB ASP A 23 60.041 -11.673 -8.991 1.00 1.00 C ATOM 316 CG ASP A 23 60.032 -10.650 -10.121 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.364 -11.023 -11.235 1.00 1.00 O ATOM 318 OD2 ASP A 23 59.695 -9.507 -9.858 1.00 1.00 O ATOM 0 H ASP A 23 59.257 -12.824 -11.494 1.00 1.00 H new ATOM 0 HA ASP A 23 59.408 -13.710 -8.681 1.00 1.00 H new ATOM 0 HB2 ASP A 23 59.622 -11.232 -8.087 1.00 1.00 H new ATOM 0 HB3 ASP A 23 61.066 -11.962 -8.759 1.00 1.00 H new ATOM 323 N TRP A 24 57.074 -12.828 -10.506 1.00 1.00 N ATOM 324 CA TRP A 24 55.648 -12.543 -10.617 1.00 1.00 C ATOM 325 C TRP A 24 54.826 -13.766 -10.224 1.00 1.00 C ATOM 326 O TRP A 24 53.600 -13.760 -10.326 1.00 1.00 O ATOM 327 CB TRP A 24 55.306 -12.133 -12.051 1.00 1.00 C ATOM 328 CG TRP A 24 55.507 -13.301 -12.962 1.00 1.00 C ATOM 329 CD1 TRP A 24 56.708 -13.780 -13.360 1.00 1.00 C ATOM 330 CD2 TRP A 24 54.500 -14.143 -13.596 1.00 1.00 C ATOM 331 NE1 TRP A 24 56.503 -14.862 -14.196 1.00 1.00 N ATOM 332 CE2 TRP A 24 55.159 -15.125 -14.374 1.00 1.00 C ATOM 333 CE3 TRP A 24 53.094 -14.150 -13.574 1.00 1.00 C ATOM 334 CZ2 TRP A 24 54.449 -16.080 -15.102 1.00 1.00 C ATOM 335 CZ3 TRP A 24 52.375 -15.110 -14.305 1.00 1.00 C ATOM 336 CH2 TRP A 24 53.051 -16.073 -15.068 1.00 1.00 C ATOM 0 H TRP A 24 57.493 -13.236 -11.342 1.00 1.00 H new ATOM 0 HA TRP A 24 55.406 -11.724 -9.940 1.00 1.00 H new ATOM 0 HB2 TRP A 24 54.273 -11.788 -12.106 1.00 1.00 H new ATOM 0 HB3 TRP A 24 55.937 -11.301 -12.364 1.00 1.00 H new ATOM 0 HD1 TRP A 24 57.670 -13.382 -13.072 1.00 1.00 H new ATOM 0 HE1 TRP A 24 57.253 -15.401 -14.629 1.00 1.00 H new ATOM 0 HE3 TRP A 24 52.563 -13.412 -12.991 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 54.975 -16.819 -15.688 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 51.295 -15.106 -14.279 1.00 1.00 H new ATOM 0 HH2 TRP A 24 52.493 -16.808 -15.629 1.00 1.00 H new ATOM 347 N LYS A 25 55.510 -14.814 -9.776 1.00 1.00 N ATOM 348 CA LYS A 25 54.832 -16.040 -9.372 1.00 1.00 C ATOM 349 C LYS A 25 55.646 -16.779 -8.314 1.00 1.00 C ATOM 350 O LYS A 25 55.427 -17.965 -8.064 1.00 1.00 O ATOM 351 CB LYS A 25 54.619 -16.950 -10.585 1.00 1.00 C ATOM 352 CG LYS A 25 55.796 -16.810 -11.554 1.00 1.00 C ATOM 353 CD LYS A 25 57.104 -17.120 -10.823 1.00 1.00 C ATOM 354 CE LYS A 25 58.212 -17.382 -11.846 1.00 1.00 C ATOM 355 NZ LYS A 25 58.122 -18.790 -12.325 1.00 1.00 N ATOM 0 H LYS A 25 56.526 -14.839 -9.684 1.00 1.00 H new ATOM 0 HA LYS A 25 53.864 -15.772 -8.949 1.00 1.00 H new ATOM 0 HB2 LYS A 25 54.525 -17.986 -10.261 1.00 1.00 H new ATOM 0 HB3 LYS A 25 53.689 -16.688 -11.089 1.00 1.00 H new ATOM 0 HG2 LYS A 25 55.669 -17.490 -12.397 1.00 1.00 H new ATOM 0 HG3 LYS A 25 55.826 -15.799 -11.961 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.379 -16.285 -10.179 1.00 1.00 H new ATOM 0 HD3 LYS A 25 56.976 -17.990 -10.179 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.116 -16.694 -12.686 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.188 -17.201 -11.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 58.503 -18.853 -13.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 58.673 -19.407 -11.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.127 -19.094 -12.324 1.00 1.00 H new ATOM 369 N SER A 26 56.587 -16.072 -7.698 1.00 1.00 N ATOM 370 CA SER A 26 57.428 -16.671 -6.668 1.00 1.00 C ATOM 371 C SER A 26 57.627 -15.702 -5.508 1.00 1.00 C ATOM 372 O SER A 26 56.811 -15.643 -4.588 1.00 1.00 O ATOM 373 CB SER A 26 58.786 -17.048 -7.258 1.00 1.00 C ATOM 374 OG SER A 26 59.720 -17.238 -6.203 1.00 1.00 O ATOM 0 H SER A 26 56.786 -15.091 -7.892 1.00 1.00 H new ATOM 0 HA SER A 26 56.932 -17.567 -6.296 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.698 -17.959 -7.850 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.134 -16.264 -7.930 1.00 1.00 H new ATOM 0 HG SER A 26 60.592 -17.482 -6.578 1.00 1.00 H new ATOM 380 N SER A 27 58.717 -14.943 -5.557 1.00 1.00 N ATOM 381 CA SER A 27 59.013 -13.979 -4.504 1.00 1.00 C ATOM 382 C SER A 27 58.128 -12.745 -4.643 1.00 1.00 C ATOM 383 O SER A 27 58.529 -11.639 -4.280 1.00 1.00 O ATOM 384 CB SER A 27 60.484 -13.565 -4.575 1.00 1.00 C ATOM 385 OG SER A 27 61.303 -14.712 -4.399 1.00 1.00 O ATOM 0 H SER A 27 59.405 -14.976 -6.309 1.00 1.00 H new ATOM 0 HA SER A 27 58.813 -14.448 -3.541 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.696 -13.097 -5.536 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.703 -12.826 -3.805 1.00 1.00 H new ATOM 0 HG SER A 27 62.246 -14.451 -4.446 1.00 1.00 H new ATOM 391 N GLY A 28 56.923 -12.942 -5.167 1.00 1.00 N ATOM 392 CA GLY A 28 55.990 -11.837 -5.349 1.00 1.00 C ATOM 393 C GLY A 28 54.551 -12.305 -5.169 1.00 1.00 C ATOM 394 O GLY A 28 53.618 -11.688 -5.684 1.00 1.00 O ATOM 0 H GLY A 28 56.571 -13.850 -5.471 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.212 -11.047 -4.632 1.00 1.00 H new ATOM 0 HA3 GLY A 28 56.116 -11.410 -6.344 1.00 1.00 H new ATOM 398 N ALA A 29 54.377 -13.400 -4.436 1.00 1.00 N ATOM 399 CA ALA A 29 53.046 -13.943 -4.194 1.00 1.00 C ATOM 400 C ALA A 29 52.971 -14.582 -2.812 1.00 1.00 C ATOM 401 O ALA A 29 51.966 -15.198 -2.456 1.00 1.00 O ATOM 402 CB ALA A 29 52.706 -14.986 -5.261 1.00 1.00 C ATOM 0 H ALA A 29 55.136 -13.926 -4.002 1.00 1.00 H new ATOM 0 HA ALA A 29 52.326 -13.126 -4.243 1.00 1.00 H new ATOM 0 HB1 ALA A 29 51.710 -15.387 -5.073 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.730 -14.520 -6.246 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.436 -15.795 -5.225 1.00 1.00 H new ATOM 408 N LEU A 30 54.044 -14.429 -2.039 1.00 1.00 N ATOM 409 CA LEU A 30 54.099 -14.993 -0.694 1.00 1.00 C ATOM 410 C LEU A 30 54.135 -13.882 0.351 1.00 1.00 C ATOM 411 O LEU A 30 53.683 -14.067 1.481 1.00 1.00 O ATOM 412 CB LEU A 30 55.344 -15.871 -0.548 1.00 1.00 C ATOM 413 CG LEU A 30 55.444 -16.818 -1.744 1.00 1.00 C ATOM 414 CD1 LEU A 30 56.668 -17.722 -1.579 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.182 -17.681 -1.818 1.00 1.00 C ATOM 0 H LEU A 30 54.883 -13.922 -2.320 1.00 1.00 H new ATOM 0 HA LEU A 30 53.206 -15.597 -0.536 1.00 1.00 H new ATOM 0 HB2 LEU A 30 56.236 -15.248 -0.489 1.00 1.00 H new ATOM 0 HB3 LEU A 30 55.292 -16.443 0.379 1.00 1.00 H new ATOM 0 HG LEU A 30 55.542 -16.236 -2.660 1.00 1.00 H new ATOM 0 HD11 LEU A 30 56.739 -18.397 -2.432 1.00 1.00 H new ATOM 0 HD12 LEU A 30 57.568 -17.110 -1.525 1.00 1.00 H new ATOM 0 HD13 LEU A 30 56.570 -18.304 -0.663 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.253 -18.356 -2.671 1.00 1.00 H new ATOM 0 HD22 LEU A 30 54.085 -18.263 -0.901 1.00 1.00 H new ATOM 0 HD23 LEU A 30 53.309 -17.039 -1.935 1.00 1.00 H new ATOM 427 N ILE A 31 54.675 -12.731 -0.035 1.00 1.00 N ATOM 428 CA ILE A 31 54.764 -11.599 0.878 1.00 1.00 C ATOM 429 C ILE A 31 53.441 -10.824 0.938 1.00 1.00 C ATOM 430 O ILE A 31 53.065 -10.331 2.001 1.00 1.00 O ATOM 431 CB ILE A 31 55.916 -10.671 0.457 1.00 1.00 C ATOM 432 CG1 ILE A 31 57.197 -11.109 1.171 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.601 -9.220 0.837 1.00 1.00 C ATOM 434 CD1 ILE A 31 57.466 -12.587 0.884 1.00 1.00 C ATOM 0 H ILE A 31 55.055 -12.558 -0.966 1.00 1.00 H new ATOM 0 HA ILE A 31 54.966 -11.984 1.878 1.00 1.00 H new ATOM 0 HB ILE A 31 56.045 -10.734 -0.624 1.00 1.00 H new ATOM 0 HG12 ILE A 31 58.038 -10.504 0.833 1.00 1.00 H new ATOM 0 HG13 ILE A 31 57.100 -10.949 2.245 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.426 -8.577 0.532 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.688 -8.902 0.334 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.464 -9.148 1.916 1.00 1.00 H new ATOM 0 HD11 ILE A 31 58.379 -12.896 1.393 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.629 -13.186 1.243 1.00 1.00 H new ATOM 0 HD13 ILE A 31 57.582 -12.734 -0.190 1.00 1.00 H new ATOM 446 N PRO A 32 52.728 -10.700 -0.160 1.00 1.00 N ATOM 447 CA PRO A 32 51.438 -9.965 -0.189 1.00 1.00 C ATOM 448 C PRO A 32 50.258 -10.862 0.175 1.00 1.00 C ATOM 449 O PRO A 32 49.100 -10.473 0.021 1.00 1.00 O ATOM 450 CB PRO A 32 51.342 -9.492 -1.637 1.00 1.00 C ATOM 451 CG PRO A 32 52.098 -10.503 -2.443 1.00 1.00 C ATOM 452 CD PRO A 32 53.056 -11.235 -1.492 1.00 1.00 C ATOM 0 HA PRO A 32 51.404 -9.153 0.537 1.00 1.00 H new ATOM 0 HB2 PRO A 32 50.303 -9.430 -1.961 1.00 1.00 H new ATOM 0 HB3 PRO A 32 51.772 -8.497 -1.754 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.412 -11.208 -2.913 1.00 1.00 H new ATOM 0 HG3 PRO A 32 52.653 -10.016 -3.245 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.910 -12.314 -1.534 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.097 -11.044 -1.752 1.00 1.00 H new ATOM 460 N ALA A 33 50.563 -12.063 0.655 1.00 1.00 N ATOM 461 CA ALA A 33 49.523 -13.013 1.038 1.00 1.00 C ATOM 462 C ALA A 33 49.405 -13.096 2.556 1.00 1.00 C ATOM 463 O ALA A 33 48.548 -13.806 3.083 1.00 1.00 O ATOM 464 CB ALA A 33 49.849 -14.396 0.474 1.00 1.00 C ATOM 0 H ALA A 33 51.516 -12.401 0.788 1.00 1.00 H new ATOM 0 HA ALA A 33 48.573 -12.668 0.630 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.069 -15.100 0.764 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.904 -14.342 -0.613 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.807 -14.733 0.869 1.00 1.00 H new ATOM 470 N ILE A 34 50.271 -12.366 3.254 1.00 1.00 N ATOM 471 CA ILE A 34 50.255 -12.364 4.713 1.00 1.00 C ATOM 472 C ILE A 34 50.365 -10.939 5.248 1.00 1.00 C ATOM 473 O ILE A 34 49.668 -10.564 6.190 1.00 1.00 O ATOM 474 CB ILE A 34 51.417 -13.202 5.250 1.00 1.00 C ATOM 475 CG1 ILE A 34 52.014 -14.034 4.112 1.00 1.00 C ATOM 476 CG2 ILE A 34 50.906 -14.138 6.348 1.00 1.00 C ATOM 477 CD1 ILE A 34 53.090 -14.967 4.670 1.00 1.00 C ATOM 0 H ILE A 34 50.988 -11.772 2.836 1.00 1.00 H new ATOM 0 HA ILE A 34 49.311 -12.795 5.047 1.00 1.00 H new ATOM 0 HB ILE A 34 52.182 -12.542 5.660 1.00 1.00 H new ATOM 0 HG12 ILE A 34 51.232 -14.615 3.624 1.00 1.00 H new ATOM 0 HG13 ILE A 34 52.444 -13.378 3.355 1.00 1.00 H new ATOM 0 HG21 ILE A 34 51.733 -14.735 6.731 1.00 1.00 H new ATOM 0 HG22 ILE A 34 50.478 -13.548 7.159 1.00 1.00 H new ATOM 0 HG23 ILE A 34 50.142 -14.798 5.937 1.00 1.00 H new ATOM 0 HD11 ILE A 34 53.514 -15.559 3.859 1.00 1.00 H new ATOM 0 HD12 ILE A 34 53.877 -14.376 5.138 1.00 1.00 H new ATOM 0 HD13 ILE A 34 52.646 -15.632 5.411 1.00 1.00 H new ATOM 489 N TYR A 35 51.244 -10.150 4.638 1.00 1.00 N ATOM 490 CA TYR A 35 51.434 -8.768 5.061 1.00 1.00 C ATOM 491 C TYR A 35 50.318 -7.883 4.516 1.00 1.00 C ATOM 492 O TYR A 35 50.527 -6.702 4.240 1.00 1.00 O ATOM 493 CB TYR A 35 52.787 -8.250 4.565 1.00 1.00 C ATOM 494 CG TYR A 35 53.891 -8.837 5.409 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.093 -8.377 6.717 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.716 -9.840 4.886 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.117 -8.921 7.500 1.00 1.00 C ATOM 498 CE2 TYR A 35 55.741 -10.384 5.669 1.00 1.00 C ATOM 499 CZ TYR A 35 55.942 -9.924 6.976 1.00 1.00 C ATOM 500 OH TYR A 35 56.952 -10.460 7.748 1.00 1.00 O ATOM 0 H TYR A 35 51.831 -10.441 3.856 1.00 1.00 H new ATOM 0 HA TYR A 35 51.410 -8.735 6.150 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.931 -8.521 3.519 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.813 -7.162 4.619 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.458 -7.602 7.121 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.561 -10.194 3.878 1.00 1.00 H new ATOM 0 HE1 TYR A 35 55.271 -8.567 8.509 1.00 1.00 H new ATOM 0 HE2 TYR A 35 56.376 -11.158 5.265 1.00 1.00 H new ATOM 0 HH TYR A 35 57.429 -11.145 7.234 1.00 1.00 H new ATOM 510 N MET A 36 49.132 -8.464 4.363 1.00 1.00 N ATOM 511 CA MET A 36 47.987 -7.721 3.848 1.00 1.00 C ATOM 512 C MET A 36 46.733 -8.040 4.658 1.00 1.00 C ATOM 513 O MET A 36 46.122 -7.151 5.249 1.00 1.00 O ATOM 514 CB MET A 36 47.750 -8.076 2.379 1.00 1.00 C ATOM 515 CG MET A 36 49.044 -7.872 1.587 1.00 1.00 C ATOM 516 SD MET A 36 49.521 -6.128 1.646 1.00 1.00 S ATOM 517 CE MET A 36 51.271 -6.359 1.249 1.00 1.00 C ATOM 0 H MET A 36 48.939 -9.440 4.587 1.00 1.00 H new ATOM 0 HA MET A 36 48.202 -6.656 3.934 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.418 -9.111 2.293 1.00 1.00 H new ATOM 0 HB3 MET A 36 46.957 -7.452 1.967 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.839 -8.491 2.003 1.00 1.00 H new ATOM 0 HG3 MET A 36 48.903 -8.186 0.553 1.00 1.00 H new ATOM 0 HE1 MET A 36 51.771 -5.391 1.231 1.00 1.00 H new ATOM 0 HE2 MET A 36 51.735 -6.993 2.005 1.00 1.00 H new ATOM 0 HE3 MET A 36 51.363 -6.833 0.272 1.00 1.00 H new ATOM 527 N LEU A 37 46.358 -9.314 4.678 1.00 1.00 N ATOM 528 CA LEU A 37 45.174 -9.738 5.418 1.00 1.00 C ATOM 529 C LEU A 37 45.512 -9.966 6.888 1.00 1.00 C ATOM 530 O LEU A 37 44.763 -10.621 7.611 1.00 1.00 O ATOM 531 CB LEU A 37 44.616 -11.029 4.814 1.00 1.00 C ATOM 532 CG LEU A 37 44.726 -10.970 3.290 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.031 -12.188 2.681 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.053 -9.693 2.781 1.00 1.00 C ATOM 0 H LEU A 37 46.851 -10.065 4.195 1.00 1.00 H new ATOM 0 HA LEU A 37 44.424 -8.950 5.349 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.166 -11.889 5.196 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.575 -11.160 5.109 1.00 1.00 H new ATOM 0 HG LEU A 37 45.777 -10.969 3.001 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.109 -12.146 1.595 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.508 -13.098 3.044 1.00 1.00 H new ATOM 0 HD13 LEU A 37 42.980 -12.189 2.969 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.130 -9.649 1.695 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.002 -9.696 3.070 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.547 -8.824 3.215 1.00 1.00 H new ATOM 546 N VAL A 38 46.644 -9.421 7.320 1.00 1.00 N ATOM 547 CA VAL A 38 47.073 -9.570 8.705 1.00 1.00 C ATOM 548 C VAL A 38 47.786 -8.310 9.184 1.00 1.00 C ATOM 549 O VAL A 38 48.051 -8.151 10.377 1.00 1.00 O ATOM 550 CB VAL A 38 48.011 -10.771 8.836 1.00 1.00 C ATOM 551 CG1 VAL A 38 48.029 -11.251 10.288 1.00 1.00 C ATOM 552 CG2 VAL A 38 47.518 -11.903 7.932 1.00 1.00 C ATOM 0 H VAL A 38 47.277 -8.876 6.735 1.00 1.00 H new ATOM 0 HA VAL A 38 46.190 -9.731 9.323 1.00 1.00 H new ATOM 0 HB VAL A 38 49.018 -10.478 8.538 1.00 1.00 H new ATOM 0 HG11 VAL A 38 48.698 -12.107 10.380 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.380 -10.445 10.933 1.00 1.00 H new ATOM 0 HG13 VAL A 38 47.022 -11.543 10.587 1.00 1.00 H new ATOM 0 HG21 VAL A 38 48.186 -12.760 8.024 1.00 1.00 H new ATOM 0 HG22 VAL A 38 46.511 -12.194 8.230 1.00 1.00 H new ATOM 0 HG23 VAL A 38 47.506 -11.563 6.897 1.00 1.00 H new ATOM 562 N PHE A 39 48.098 -7.419 8.248 1.00 1.00 N ATOM 563 CA PHE A 39 48.784 -6.176 8.587 1.00 1.00 C ATOM 564 C PHE A 39 47.805 -5.006 8.599 1.00 1.00 C ATOM 565 O PHE A 39 48.213 -3.845 8.604 1.00 1.00 O ATOM 566 CB PHE A 39 49.897 -5.902 7.575 1.00 1.00 C ATOM 567 CG PHE A 39 51.064 -5.248 8.274 1.00 1.00 C ATOM 568 CD1 PHE A 39 51.991 -6.033 8.972 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.220 -3.858 8.226 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.073 -5.426 9.621 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.302 -3.252 8.875 1.00 1.00 C ATOM 572 CZ PHE A 39 53.229 -4.037 9.573 1.00 1.00 C ATOM 0 H PHE A 39 47.889 -7.532 7.256 1.00 1.00 H new ATOM 0 HA PHE A 39 49.215 -6.282 9.582 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.215 -6.834 7.108 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.528 -5.256 6.779 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.871 -7.106 9.009 1.00 1.00 H new ATOM 0 HD2 PHE A 39 50.505 -3.253 7.688 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.788 -6.031 10.159 1.00 1.00 H new ATOM 0 HE2 PHE A 39 52.422 -2.179 8.838 1.00 1.00 H new ATOM 0 HZ PHE A 39 54.064 -3.570 10.074 1.00 1.00 H new ATOM 582 N LEU A 40 46.512 -5.321 8.602 1.00 1.00 N ATOM 583 CA LEU A 40 45.482 -4.287 8.612 1.00 1.00 C ATOM 584 C LEU A 40 44.401 -4.619 9.636 1.00 1.00 C ATOM 585 O LEU A 40 43.215 -4.400 9.394 1.00 1.00 O ATOM 586 CB LEU A 40 44.850 -4.165 7.224 1.00 1.00 C ATOM 587 CG LEU A 40 45.819 -3.449 6.281 1.00 1.00 C ATOM 588 CD1 LEU A 40 45.604 -3.948 4.852 1.00 1.00 C ATOM 589 CD2 LEU A 40 45.562 -1.941 6.336 1.00 1.00 C ATOM 0 H LEU A 40 46.155 -6.276 8.598 1.00 1.00 H new ATOM 0 HA LEU A 40 45.948 -3.340 8.884 1.00 1.00 H new ATOM 0 HB2 LEU A 40 44.611 -5.154 6.834 1.00 1.00 H new ATOM 0 HB3 LEU A 40 43.913 -3.612 7.287 1.00 1.00 H new ATOM 0 HG LEU A 40 46.844 -3.657 6.588 1.00 1.00 H new ATOM 0 HD11 LEU A 40 46.295 -3.438 4.181 1.00 1.00 H new ATOM 0 HD12 LEU A 40 45.785 -5.022 4.811 1.00 1.00 H new ATOM 0 HD13 LEU A 40 44.579 -3.741 4.545 1.00 1.00 H new ATOM 0 HD21 LEU A 40 46.252 -1.430 5.665 1.00 1.00 H new ATOM 0 HD22 LEU A 40 44.537 -1.735 6.029 1.00 1.00 H new ATOM 0 HD23 LEU A 40 45.714 -1.583 7.354 1.00 1.00 H new ATOM 601 N LEU A 41 44.820 -5.150 10.781 1.00 1.00 N ATOM 602 CA LEU A 41 43.877 -5.508 11.835 1.00 1.00 C ATOM 603 C LEU A 41 44.613 -5.854 13.126 1.00 1.00 C ATOM 604 O LEU A 41 44.184 -5.472 14.215 1.00 1.00 O ATOM 605 CB LEU A 41 43.016 -6.698 11.397 1.00 1.00 C ATOM 606 CG LEU A 41 43.892 -7.788 10.773 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.629 -9.119 11.480 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.549 -7.927 9.289 1.00 1.00 C ATOM 0 H LEU A 41 45.798 -5.341 11.001 1.00 1.00 H new ATOM 0 HA LEU A 41 43.233 -4.648 12.019 1.00 1.00 H new ATOM 0 HB2 LEU A 41 42.478 -7.101 12.255 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.267 -6.368 10.677 1.00 1.00 H new ATOM 0 HG LEU A 41 44.942 -7.518 10.882 1.00 1.00 H new ATOM 0 HD11 LEU A 41 44.252 -9.896 11.037 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.869 -9.022 12.539 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.579 -9.389 11.369 1.00 1.00 H new ATOM 0 HD21 LEU A 41 44.172 -8.703 8.843 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.499 -8.199 9.182 1.00 1.00 H new ATOM 0 HD23 LEU A 41 43.732 -6.979 8.783 1.00 1.00 H new ATOM 620 N GLY A 42 45.723 -6.573 12.999 1.00 1.00 N ATOM 621 CA GLY A 42 46.510 -6.954 14.165 1.00 1.00 C ATOM 622 C GLY A 42 47.628 -5.948 14.401 1.00 1.00 C ATOM 623 O GLY A 42 48.646 -6.264 15.018 1.00 1.00 O ATOM 0 H GLY A 42 46.095 -6.901 12.108 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.868 -7.007 15.044 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.932 -7.948 14.018 1.00 1.00 H new ATOM 627 N THR A 43 47.429 -4.736 13.898 1.00 1.00 N ATOM 628 CA THR A 43 48.422 -3.681 14.046 1.00 1.00 C ATOM 629 C THR A 43 47.838 -2.338 13.621 1.00 1.00 C ATOM 630 O THR A 43 47.361 -1.566 14.452 1.00 1.00 O ATOM 631 CB THR A 43 49.647 -4.001 13.186 1.00 1.00 C ATOM 632 OG1 THR A 43 50.227 -2.789 12.722 1.00 1.00 O ATOM 633 CG2 THR A 43 49.222 -4.858 11.992 1.00 1.00 C ATOM 0 H THR A 43 46.591 -4.460 13.386 1.00 1.00 H new ATOM 0 HA THR A 43 48.716 -3.622 15.094 1.00 1.00 H new ATOM 0 HB THR A 43 50.378 -4.548 13.781 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.013 -2.992 12.172 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.094 -5.086 11.379 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.777 -5.786 12.350 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.491 -4.313 11.395 1.00 1.00 H new ATOM 641 N THR A 44 47.877 -2.070 12.320 1.00 1.00 N ATOM 642 CA THR A 44 47.347 -0.820 11.789 1.00 1.00 C ATOM 643 C THR A 44 47.893 0.371 12.570 1.00 1.00 C ATOM 644 O THR A 44 47.424 1.498 12.411 1.00 1.00 O ATOM 645 CB THR A 44 45.818 -0.826 11.862 1.00 1.00 C ATOM 646 OG1 THR A 44 45.401 -0.185 13.060 1.00 1.00 O ATOM 647 CG2 THR A 44 45.306 -2.267 11.848 1.00 1.00 C ATOM 0 H THR A 44 48.268 -2.698 11.618 1.00 1.00 H new ATOM 0 HA THR A 44 47.659 -0.729 10.749 1.00 1.00 H new ATOM 0 HB THR A 44 45.413 -0.293 11.002 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.266 0.771 12.890 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.217 -2.267 11.900 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.625 -2.758 10.928 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.710 -2.805 12.705 1.00 1.00 H new ATOM 655 N GLY A 45 48.890 0.116 13.411 1.00 1.00 N ATOM 656 CA GLY A 45 49.496 1.176 14.210 1.00 1.00 C ATOM 657 C GLY A 45 48.580 1.588 15.357 1.00 1.00 C ATOM 658 O GLY A 45 48.634 2.724 15.827 1.00 1.00 O ATOM 0 H GLY A 45 49.294 -0.809 13.557 1.00 1.00 H new ATOM 0 HA2 GLY A 45 50.452 0.835 14.608 1.00 1.00 H new ATOM 0 HA3 GLY A 45 49.704 2.039 13.578 1.00 1.00 H new ATOM 662 N ASN A 46 47.743 0.659 15.802 1.00 1.00 N ATOM 663 CA ASN A 46 46.820 0.937 16.898 1.00 1.00 C ATOM 664 C ASN A 46 46.749 -0.250 17.852 1.00 1.00 C ATOM 665 O ASN A 46 45.957 -0.254 18.795 1.00 1.00 O ATOM 666 CB ASN A 46 45.425 1.236 16.345 1.00 1.00 C ATOM 667 CG ASN A 46 44.875 0.010 15.623 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.423 -1.085 15.751 1.00 1.00 O ATOM 669 ND2 ASN A 46 43.818 0.130 14.867 1.00 1.00 N ATOM 0 H ASN A 46 47.683 -0.287 15.425 1.00 1.00 H new ATOM 0 HA ASN A 46 47.186 1.806 17.445 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.756 1.520 17.157 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.471 2.082 15.659 1.00 1.00 H new ATOM 0 HD21 ASN A 46 43.444 -0.685 14.380 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.366 1.038 14.763 1.00 1.00 H new ATOM 676 N GLY A 47 47.582 -1.256 17.600 1.00 1.00 N ATOM 677 CA GLY A 47 47.606 -2.447 18.440 1.00 1.00 C ATOM 678 C GLY A 47 48.853 -2.469 19.319 1.00 1.00 C ATOM 679 O GLY A 47 48.797 -2.872 20.480 1.00 1.00 O ATOM 0 H GLY A 47 48.245 -1.270 16.825 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.714 -2.473 19.066 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.582 -3.339 17.814 1.00 1.00 H new ATOM 683 N LEU A 48 49.975 -2.035 18.755 1.00 1.00 N ATOM 684 CA LEU A 48 51.232 -2.010 19.495 1.00 1.00 C ATOM 685 C LEU A 48 51.569 -0.588 19.933 1.00 1.00 C ATOM 686 O LEU A 48 52.720 -0.282 20.243 1.00 1.00 O ATOM 687 CB LEU A 48 52.370 -2.558 18.626 1.00 1.00 C ATOM 688 CG LEU A 48 51.797 -3.249 17.386 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.942 -3.828 16.554 1.00 1.00 C ATOM 690 CD2 LEU A 48 50.860 -4.381 17.815 1.00 1.00 C ATOM 0 H LEU A 48 50.040 -1.698 17.795 1.00 1.00 H new ATOM 0 HA LEU A 48 51.118 -2.637 20.380 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.033 -1.746 18.326 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.970 -3.264 19.201 1.00 1.00 H new ATOM 0 HG LEU A 48 51.241 -2.524 16.792 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.537 -4.321 15.670 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.611 -3.024 16.247 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.496 -4.552 17.151 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.453 -4.871 16.931 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.415 -5.107 18.410 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.044 -3.972 18.411 1.00 1.00 H new ATOM 702 N VAL A 49 50.558 0.275 19.958 1.00 1.00 N ATOM 703 CA VAL A 49 50.760 1.662 20.359 1.00 1.00 C ATOM 704 C VAL A 49 50.268 1.888 21.785 1.00 1.00 C ATOM 705 O VAL A 49 51.055 2.203 22.679 1.00 1.00 O ATOM 706 CB VAL A 49 50.014 2.597 19.406 1.00 1.00 C ATOM 707 CG1 VAL A 49 50.261 4.049 19.818 1.00 1.00 C ATOM 708 CG2 VAL A 49 50.520 2.379 17.979 1.00 1.00 C ATOM 0 H VAL A 49 49.598 0.040 19.707 1.00 1.00 H new ATOM 0 HA VAL A 49 51.828 1.878 20.318 1.00 1.00 H new ATOM 0 HB VAL A 49 48.946 2.384 19.450 1.00 1.00 H new ATOM 0 HG11 VAL A 49 49.729 4.715 19.139 1.00 1.00 H new ATOM 0 HG12 VAL A 49 49.901 4.205 20.835 1.00 1.00 H new ATOM 0 HG13 VAL A 49 51.329 4.263 19.774 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.989 3.045 17.299 1.00 1.00 H new ATOM 0 HG22 VAL A 49 51.588 2.592 17.935 1.00 1.00 H new ATOM 0 HG23 VAL A 49 50.344 1.344 17.685 1.00 1.00 H new ATOM 718 N LEU A 50 48.963 1.729 21.987 1.00 1.00 N ATOM 719 CA LEU A 50 48.369 1.920 23.308 1.00 1.00 C ATOM 720 C LEU A 50 47.897 0.590 23.884 1.00 1.00 C ATOM 721 O LEU A 50 47.987 0.358 25.090 1.00 1.00 O ATOM 722 CB LEU A 50 47.186 2.886 23.214 1.00 1.00 C ATOM 723 CG LEU A 50 46.138 2.322 22.254 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.966 1.750 23.055 1.00 1.00 C ATOM 725 CD2 LEU A 50 45.630 3.440 21.340 1.00 1.00 C ATOM 0 H LEU A 50 48.299 1.470 21.257 1.00 1.00 H new ATOM 0 HA LEU A 50 49.129 2.338 23.968 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.747 3.036 24.200 1.00 1.00 H new ATOM 0 HB3 LEU A 50 47.526 3.861 22.865 1.00 1.00 H new ATOM 0 HG LEU A 50 46.587 1.533 21.651 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.219 1.348 22.370 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.325 0.954 23.708 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.518 2.540 23.658 1.00 1.00 H new ATOM 0 HD21 LEU A 50 44.883 3.039 20.655 1.00 1.00 H new ATOM 0 HD22 LEU A 50 45.182 4.229 21.944 1.00 1.00 H new ATOM 0 HD23 LEU A 50 46.463 3.850 20.769 1.00 1.00 H new ATOM 737 N TRP A 51 47.394 -0.283 23.017 1.00 1.00 N ATOM 738 CA TRP A 51 46.912 -1.588 23.456 1.00 1.00 C ATOM 739 C TRP A 51 48.075 -2.459 23.918 1.00 1.00 C ATOM 740 O TRP A 51 47.874 -3.544 24.464 1.00 1.00 O ATOM 741 CB TRP A 51 46.171 -2.282 22.311 1.00 1.00 C ATOM 742 CG TRP A 51 46.004 -3.733 22.632 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.639 -4.746 22.000 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.161 -4.349 23.648 1.00 1.00 C ATOM 745 NE1 TRP A 51 46.238 -5.945 22.563 1.00 1.00 N ATOM 746 CE2 TRP A 51 45.328 -5.752 23.583 1.00 1.00 C ATOM 747 CE3 TRP A 51 44.275 -3.830 24.610 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.642 -6.611 24.442 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.583 -4.692 25.477 1.00 1.00 C ATOM 750 CH2 TRP A 51 43.766 -6.080 25.392 1.00 1.00 C ATOM 0 H TRP A 51 47.310 -0.113 22.015 1.00 1.00 H new ATOM 0 HA TRP A 51 46.229 -1.442 24.293 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.197 -1.818 22.160 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.727 -2.166 21.381 1.00 1.00 H new ATOM 0 HD1 TRP A 51 47.344 -4.637 21.189 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.574 -6.860 22.261 1.00 1.00 H new ATOM 0 HE3 TRP A 51 44.126 -2.763 24.682 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 44.787 -7.679 24.373 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 42.906 -4.284 26.213 1.00 1.00 H new ATOM 0 HH2 TRP A 51 43.230 -6.738 26.060 1.00 1.00 H new ATOM 761 N THR A 52 49.293 -1.975 23.696 1.00 1.00 N ATOM 762 CA THR A 52 50.484 -2.716 24.096 1.00 1.00 C ATOM 763 C THR A 52 50.531 -2.875 25.611 1.00 1.00 C ATOM 764 O THR A 52 50.958 -3.911 26.124 1.00 1.00 O ATOM 765 CB THR A 52 51.740 -1.985 23.616 1.00 1.00 C ATOM 766 OG1 THR A 52 52.891 -2.635 24.137 1.00 1.00 O ATOM 767 CG2 THR A 52 51.707 -0.536 24.104 1.00 1.00 C ATOM 0 H THR A 52 49.481 -1.080 23.245 1.00 1.00 H new ATOM 0 HA THR A 52 50.445 -3.705 23.640 1.00 1.00 H new ATOM 0 HB THR A 52 51.775 -1.998 22.527 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.697 -2.170 23.830 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.602 -0.016 23.762 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.823 -0.038 23.705 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.672 -0.520 25.193 1.00 1.00 H new ATOM 775 N VAL A 53 50.091 -1.844 26.323 1.00 1.00 N ATOM 776 CA VAL A 53 50.089 -1.881 27.781 1.00 1.00 C ATOM 777 C VAL A 53 49.200 -3.013 28.287 1.00 1.00 C ATOM 778 O VAL A 53 49.693 -4.023 28.789 1.00 1.00 O ATOM 779 CB VAL A 53 49.585 -0.547 28.335 1.00 1.00 C ATOM 780 CG1 VAL A 53 49.851 -0.485 29.841 1.00 1.00 C ATOM 781 CG2 VAL A 53 50.321 0.602 27.642 1.00 1.00 C ATOM 0 H VAL A 53 49.734 -0.978 25.919 1.00 1.00 H new ATOM 0 HA VAL A 53 51.109 -2.055 28.124 1.00 1.00 H new ATOM 0 HB VAL A 53 48.514 -0.459 28.151 1.00 1.00 H new ATOM 0 HG11 VAL A 53 49.492 0.466 30.235 1.00 1.00 H new ATOM 0 HG12 VAL A 53 49.329 -1.304 30.337 1.00 1.00 H new ATOM 0 HG13 VAL A 53 50.922 -0.573 30.025 1.00 1.00 H new ATOM 0 HG21 VAL A 53 49.963 1.553 28.036 1.00 1.00 H new ATOM 0 HG22 VAL A 53 51.391 0.513 27.827 1.00 1.00 H new ATOM 0 HG23 VAL A 53 50.133 0.560 26.569 1.00 1.00 H new ATOM 791 N PHE A 54 47.890 -2.837 28.151 1.00 1.00 N ATOM 792 CA PHE A 54 46.943 -3.853 28.598 1.00 1.00 C ATOM 793 C PHE A 54 47.428 -5.246 28.211 1.00 1.00 C ATOM 794 O PHE A 54 47.024 -6.243 28.812 1.00 1.00 O ATOM 795 CB PHE A 54 45.570 -3.597 27.975 1.00 1.00 C ATOM 796 CG PHE A 54 44.682 -2.902 28.980 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.888 -1.550 29.278 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.653 -3.610 29.612 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.066 -0.906 30.211 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.830 -2.966 30.545 1.00 1.00 C ATOM 801 CZ PHE A 54 43.037 -1.614 30.844 1.00 1.00 C ATOM 0 H PHE A 54 47.462 -2.008 27.739 1.00 1.00 H new ATOM 0 HA PHE A 54 46.865 -3.797 29.684 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.674 -2.984 27.080 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.118 -4.539 27.665 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.681 -1.004 28.789 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.494 -4.653 29.380 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.226 0.137 30.442 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.036 -3.512 31.033 1.00 1.00 H new ATOM 0 HZ PHE A 54 42.403 -1.117 31.563 1.00 1.00 H new ATOM 811 N ARG A 55 48.296 -5.308 27.207 1.00 1.00 N ATOM 812 CA ARG A 55 48.831 -6.586 26.750 1.00 1.00 C ATOM 813 C ARG A 55 50.000 -7.022 27.627 1.00 1.00 C ATOM 814 O ARG A 55 50.011 -8.132 28.158 1.00 1.00 O ATOM 815 CB ARG A 55 49.298 -6.467 25.297 1.00 1.00 C ATOM 816 CG ARG A 55 49.395 -7.861 24.674 1.00 1.00 C ATOM 817 CD ARG A 55 48.023 -8.297 24.153 1.00 1.00 C ATOM 818 NE ARG A 55 47.817 -9.713 24.418 1.00 1.00 N ATOM 819 CZ ARG A 55 48.254 -10.647 23.580 1.00 1.00 C ATOM 820 NH1 ARG A 55 48.891 -10.300 22.493 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.047 -11.908 23.840 1.00 1.00 N ATOM 0 H ARG A 55 48.642 -4.495 26.697 1.00 1.00 H new ATOM 0 HA ARG A 55 48.041 -7.334 26.818 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.600 -5.852 24.729 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.268 -5.971 25.255 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.118 -7.854 23.858 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.756 -8.575 25.414 1.00 1.00 H new ATOM 0 HD2 ARG A 55 47.239 -7.711 24.633 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.954 -8.105 23.082 1.00 1.00 H new ATOM 0 HE ARG A 55 47.326 -9.995 25.266 1.00 1.00 H new ATOM 0 HH11 ARG A 55 49.052 -9.314 22.289 1.00 1.00 H new ATOM 0 HH12 ARG A 55 49.227 -11.016 21.849 1.00 1.00 H new ATOM 0 HH21 ARG A 55 47.549 -12.179 24.688 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.383 -12.623 23.195 1.00 1.00 H new ATOM 835 N LYS A 56 50.983 -6.140 27.775 1.00 1.00 N ATOM 836 CA LYS A 56 52.153 -6.444 28.590 1.00 1.00 C ATOM 837 C LYS A 56 51.753 -6.658 30.046 1.00 1.00 C ATOM 838 O LYS A 56 52.324 -7.499 30.741 1.00 1.00 O ATOM 839 CB LYS A 56 53.165 -5.300 28.500 1.00 1.00 C ATOM 840 CG LYS A 56 53.946 -5.409 27.189 1.00 1.00 C ATOM 841 CD LYS A 56 54.213 -4.009 26.634 1.00 1.00 C ATOM 842 CE LYS A 56 54.863 -3.144 27.717 1.00 1.00 C ATOM 843 NZ LYS A 56 55.876 -2.247 27.094 1.00 1.00 N ATOM 0 H LYS A 56 50.993 -5.215 27.345 1.00 1.00 H new ATOM 0 HA LYS A 56 52.606 -7.360 28.212 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.650 -4.341 28.550 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.850 -5.339 29.347 1.00 1.00 H new ATOM 0 HG2 LYS A 56 54.888 -5.930 27.357 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.381 -5.997 26.465 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.865 -4.070 25.763 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.280 -3.554 26.302 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.104 -2.553 28.229 1.00 1.00 H new ATOM 0 HE3 LYS A 56 55.335 -3.777 28.468 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 56.318 -1.659 27.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.605 -2.820 26.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.413 -1.634 26.393 1.00 1.00 H new ATOM 857 N LYS A 57 50.766 -5.891 30.502 1.00 1.00 N ATOM 858 CA LYS A 57 50.299 -6.006 31.879 1.00 1.00 C ATOM 859 C LYS A 57 49.997 -7.462 32.222 1.00 1.00 C ATOM 860 O LYS A 57 50.251 -7.910 33.340 1.00 1.00 O ATOM 861 CB LYS A 57 49.037 -5.162 32.072 1.00 1.00 C ATOM 862 CG LYS A 57 49.359 -3.692 31.801 1.00 1.00 C ATOM 863 CD LYS A 57 49.806 -3.019 33.100 1.00 1.00 C ATOM 864 CE LYS A 57 48.579 -2.532 33.873 1.00 1.00 C ATOM 865 NZ LYS A 57 48.871 -2.552 35.334 1.00 1.00 N ATOM 0 H LYS A 57 50.279 -5.190 29.944 1.00 1.00 H new ATOM 0 HA LYS A 57 51.084 -5.644 32.542 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.252 -5.503 31.397 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.659 -5.281 33.087 1.00 1.00 H new ATOM 0 HG2 LYS A 57 50.145 -3.613 31.049 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.482 -3.185 31.399 1.00 1.00 H new ATOM 0 HD2 LYS A 57 50.376 -3.721 33.708 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.466 -2.180 32.879 1.00 1.00 H new ATOM 0 HE2 LYS A 57 48.315 -1.522 33.558 1.00 1.00 H new ATOM 0 HE3 LYS A 57 47.722 -3.169 33.654 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 48.037 -2.221 35.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 49.103 -3.522 35.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 49.677 -1.927 35.535 1.00 1.00 H new ATOM 879 N GLY A 58 49.457 -8.193 31.254 1.00 1.00 N ATOM 880 CA GLY A 58 49.125 -9.597 31.466 1.00 1.00 C ATOM 881 C GLY A 58 48.861 -10.301 30.140 1.00 1.00 C ATOM 882 O GLY A 58 47.718 -10.395 29.693 1.00 1.00 O ATOM 0 H GLY A 58 49.241 -7.841 30.321 1.00 1.00 H new ATOM 0 HA2 GLY A 58 49.943 -10.093 31.989 1.00 1.00 H new ATOM 0 HA3 GLY A 58 48.245 -9.674 32.105 1.00 1.00 H new ATOM 886 N HIS A 59 49.925 -10.795 29.515 1.00 1.00 N ATOM 887 CA HIS A 59 49.795 -11.489 28.240 1.00 1.00 C ATOM 888 C HIS A 59 48.807 -12.644 28.356 1.00 1.00 C ATOM 889 O HIS A 59 48.403 -13.232 27.353 1.00 1.00 O ATOM 890 CB HIS A 59 51.158 -12.024 27.795 1.00 1.00 C ATOM 891 CG HIS A 59 51.703 -11.157 26.695 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.177 -11.171 25.412 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.728 -10.243 26.669 1.00 1.00 C ATOM 894 CE1 HIS A 59 51.880 -10.292 24.674 1.00 1.00 C ATOM 895 NE2 HIS A 59 52.837 -9.699 25.391 1.00 1.00 N ATOM 0 H HIS A 59 50.880 -10.728 29.868 1.00 1.00 H new ATOM 0 HA HIS A 59 49.423 -10.781 27.499 1.00 1.00 H new ATOM 0 HB2 HIS A 59 51.848 -12.036 28.638 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.061 -13.052 27.447 1.00 1.00 H new ATOM 0 HD2 HIS A 59 53.354 -9.985 27.511 1.00 1.00 H new ATOM 0 HE1 HIS A 59 51.693 -10.091 23.630 1.00 1.00 H new ATOM 0 HE2 HIS A 59 53.505 -8.998 25.072 1.00 1.00 H new ATOM 903 N HIS A 60 48.421 -12.963 29.588 1.00 1.00 N ATOM 904 CA HIS A 60 47.478 -14.051 29.824 1.00 1.00 C ATOM 905 C HIS A 60 46.065 -13.507 30.005 1.00 1.00 C ATOM 906 O HIS A 60 45.233 -13.601 29.103 1.00 1.00 O ATOM 907 CB HIS A 60 47.889 -14.836 31.071 1.00 1.00 C ATOM 908 CG HIS A 60 48.382 -16.198 30.667 1.00 1.00 C ATOM 909 ND1 HIS A 60 47.820 -17.364 31.162 1.00 1.00 N ATOM 910 CD2 HIS A 60 49.385 -16.597 29.818 1.00 1.00 C ATOM 911 CE1 HIS A 60 48.481 -18.399 30.613 1.00 1.00 C ATOM 912 NE2 HIS A 60 49.446 -17.986 29.785 1.00 1.00 N ATOM 0 H HIS A 60 48.743 -12.488 30.431 1.00 1.00 H new ATOM 0 HA HIS A 60 47.491 -14.712 28.958 1.00 1.00 H new ATOM 0 HB2 HIS A 60 48.670 -14.300 31.610 1.00 1.00 H new ATOM 0 HB3 HIS A 60 47.041 -14.931 31.750 1.00 1.00 H new ATOM 0 HD2 HIS A 60 50.029 -15.933 29.260 1.00 1.00 H new ATOM 0 HE1 HIS A 60 48.259 -19.436 30.816 1.00 1.00 H new ATOM 0 HE2 HIS A 60 50.089 -18.565 29.245 1.00 1.00 H new ATOM 920 N HIS A 61 45.800 -12.936 31.177 1.00 1.00 N ATOM 921 CA HIS A 61 44.484 -12.380 31.465 1.00 1.00 C ATOM 922 C HIS A 61 44.504 -11.605 32.779 1.00 1.00 C ATOM 923 O HIS A 61 44.770 -12.170 33.839 1.00 1.00 O ATOM 924 CB HIS A 61 43.450 -13.505 31.549 1.00 1.00 C ATOM 925 CG HIS A 61 42.165 -12.964 32.116 1.00 1.00 C ATOM 926 ND1 HIS A 61 41.288 -13.753 32.841 1.00 1.00 N ATOM 927 CD2 HIS A 61 41.597 -11.715 32.070 1.00 1.00 C ATOM 928 CE1 HIS A 61 40.247 -12.978 33.201 1.00 1.00 C ATOM 929 NE2 HIS A 61 40.387 -11.726 32.757 1.00 1.00 N ATOM 0 H HIS A 61 46.475 -12.847 31.937 1.00 1.00 H new ATOM 0 HA HIS A 61 44.214 -11.697 30.659 1.00 1.00 H new ATOM 0 HB2 HIS A 61 43.274 -13.927 30.559 1.00 1.00 H new ATOM 0 HB3 HIS A 61 43.826 -14.313 32.177 1.00 1.00 H new ATOM 0 HD2 HIS A 61 42.024 -10.855 31.576 1.00 1.00 H new ATOM 0 HE1 HIS A 61 39.403 -13.326 33.778 1.00 1.00 H new ATOM 0 HE2 HIS A 61 39.745 -10.945 32.893 1.00 1.00 H new ATOM 937 N HIS A 62 44.223 -10.309 32.700 1.00 1.00 N ATOM 938 CA HIS A 62 44.213 -9.466 33.889 1.00 1.00 C ATOM 939 C HIS A 62 42.784 -9.228 34.367 1.00 1.00 C ATOM 940 O HIS A 62 42.397 -9.674 35.447 1.00 1.00 O ATOM 941 CB HIS A 62 44.882 -8.124 33.585 1.00 1.00 C ATOM 942 CG HIS A 62 45.686 -7.680 34.776 1.00 1.00 C ATOM 943 ND1 HIS A 62 46.801 -6.867 34.653 1.00 1.00 N ATOM 944 CD2 HIS A 62 45.549 -7.927 36.120 1.00 1.00 C ATOM 945 CE1 HIS A 62 47.288 -6.655 35.891 1.00 1.00 C ATOM 946 NE2 HIS A 62 46.560 -7.279 36.821 1.00 1.00 N ATOM 0 H HIS A 62 44.001 -9.822 31.832 1.00 1.00 H new ATOM 0 HA HIS A 62 44.767 -9.977 34.677 1.00 1.00 H new ATOM 0 HB2 HIS A 62 45.528 -8.218 32.712 1.00 1.00 H new ATOM 0 HB3 HIS A 62 44.127 -7.376 33.344 1.00 1.00 H new ATOM 0 HD2 HIS A 62 44.773 -8.533 36.565 1.00 1.00 H new ATOM 0 HE1 HIS A 62 48.160 -6.054 36.105 1.00 1.00 H new ATOM 0 HE2 HIS A 62 46.713 -7.280 37.829 1.00 1.00 H new ATOM 954 N HIS A 63 42.003 -8.523 33.554 1.00 1.00 N ATOM 955 CA HIS A 63 40.620 -8.230 33.899 1.00 1.00 C ATOM 956 C HIS A 63 39.714 -8.453 32.698 1.00 1.00 C ATOM 957 O HIS A 63 39.962 -9.327 31.867 1.00 1.00 O ATOM 958 CB HIS A 63 40.496 -6.780 34.371 1.00 1.00 C ATOM 959 CG HIS A 63 41.557 -6.494 35.397 1.00 1.00 C ATOM 960 ND1 HIS A 63 41.514 -7.031 36.675 1.00 1.00 N ATOM 961 CD2 HIS A 63 42.697 -5.730 35.351 1.00 1.00 C ATOM 962 CE1 HIS A 63 42.598 -6.588 37.339 1.00 1.00 C ATOM 963 NE2 HIS A 63 43.353 -5.791 36.577 1.00 1.00 N ATOM 0 H HIS A 63 42.305 -8.146 32.655 1.00 1.00 H new ATOM 0 HA HIS A 63 40.314 -8.901 34.702 1.00 1.00 H new ATOM 0 HB2 HIS A 63 40.601 -6.101 33.525 1.00 1.00 H new ATOM 0 HB3 HIS A 63 39.507 -6.608 34.797 1.00 1.00 H new ATOM 0 HD2 HIS A 63 43.034 -5.167 34.493 1.00 1.00 H new ATOM 0 HE1 HIS A 63 42.829 -6.845 38.362 1.00 1.00 H new ATOM 0 HE2 HIS A 63 44.223 -5.327 36.838 1.00 1.00 H new ATOM 971 N HIS A 64 38.665 -7.653 32.619 1.00 1.00 N ATOM 972 CA HIS A 64 37.712 -7.756 31.520 1.00 1.00 C ATOM 973 C HIS A 64 38.440 -7.983 30.199 1.00 1.00 C ATOM 974 O HIS A 64 38.789 -7.003 29.562 1.00 1.00 O ATOM 975 CB HIS A 64 36.876 -6.478 31.430 1.00 1.00 C ATOM 976 CG HIS A 64 36.170 -6.248 32.738 1.00 1.00 C ATOM 977 ND1 HIS A 64 35.834 -7.288 33.590 1.00 1.00 N ATOM 978 CD2 HIS A 64 35.730 -5.103 33.355 1.00 1.00 C ATOM 979 CE1 HIS A 64 35.221 -6.754 34.662 1.00 1.00 C ATOM 980 NE2 HIS A 64 35.131 -5.424 34.569 1.00 1.00 N ATOM 981 OXT HIS A 64 38.638 -9.133 29.844 1.00 1.00 O ATOM 0 H HIS A 64 38.449 -6.925 33.300 1.00 1.00 H new ATOM 0 HA HIS A 64 37.057 -8.605 31.712 1.00 1.00 H new ATOM 0 HB2 HIS A 64 37.516 -5.628 31.196 1.00 1.00 H new ATOM 0 HB3 HIS A 64 36.149 -6.562 30.622 1.00 1.00 H new ATOM 0 HD2 HIS A 64 35.833 -4.104 32.958 1.00 1.00 H new ATOM 0 HE1 HIS A 64 34.847 -7.330 35.496 1.00 1.00 H new ATOM 0 HE2 HIS A 64 34.713 -4.782 35.243 1.00 1.00 H new TER 989 HIS A 64