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 59 HIS : no HD1:sc= -0.0801 X(o=-0.35,f=-0.69) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.272 X(o=-0.35,f=-0.3) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.516 USER MOD Set 2.2: A 46 ASN : amide:sc= 0 X(o=0.52,f=0.52) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= -0.435 USER MOD Set 3.2: A 27 SER OG : rot 3:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.0669 (180deg=-1.26!) USER MOD Single : A 9 ASN : amide:sc= -0.0494 X(o=-0.049,f=-0.51) 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= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 61:sc= 0.195 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -24:sc= 0.264 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.78! USER MOD Single : A 52 THR OG1 : rot 23:sc= 1.16 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -2.57! (180deg=-3.98!) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.121 (180deg=-0.805) USER MOD Single : A 60 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.34) USER MOD Single : A 62 HIS : no HD1:sc= 0.16 K(o=0.16,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 64 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.635 43.355 18.362 1.00 1.00 N ATOM 2 CA MET A 1 53.325 44.063 18.312 1.00 1.00 C ATOM 3 C MET A 1 52.304 43.191 17.590 1.00 1.00 C ATOM 4 O MET A 1 52.669 42.272 16.855 1.00 1.00 O ATOM 5 CB MET A 1 53.494 45.391 17.570 1.00 1.00 C ATOM 6 CG MET A 1 54.259 45.155 16.267 1.00 1.00 C ATOM 7 SD MET A 1 53.421 46.013 14.912 1.00 1.00 S ATOM 8 CE MET A 1 53.780 44.798 13.618 1.00 1.00 C ATOM 0 H1 MET A 1 55.407 44.052 18.363 1.00 1.00 H new ATOM 0 H2 MET A 1 54.686 42.780 19.227 1.00 1.00 H new ATOM 0 H3 MET A 1 54.728 42.737 17.530 1.00 1.00 H new ATOM 0 HA MET A 1 52.974 44.260 19.325 1.00 1.00 H new ATOM 0 HB2 MET A 1 52.518 45.827 17.357 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.032 46.103 18.196 1.00 1.00 H new ATOM 0 HG2 MET A 1 55.283 45.517 16.363 1.00 1.00 H new ATOM 0 HG3 MET A 1 54.317 44.087 16.055 1.00 1.00 H new ATOM 0 HE1 MET A 1 53.347 45.132 12.675 1.00 1.00 H new ATOM 0 HE2 MET A 1 54.859 44.695 13.505 1.00 1.00 H new ATOM 0 HE3 MET A 1 53.350 43.835 13.894 1.00 1.00 H new ATOM 20 N GLU A 2 51.026 43.484 17.803 1.00 1.00 N ATOM 21 CA GLU A 2 49.961 42.718 17.166 1.00 1.00 C ATOM 22 C GLU A 2 48.708 43.575 17.004 1.00 1.00 C ATOM 23 O GLU A 2 47.788 43.505 17.819 1.00 1.00 O ATOM 24 CB GLU A 2 49.631 41.483 18.006 1.00 1.00 C ATOM 25 CG GLU A 2 49.348 41.906 19.448 1.00 1.00 C ATOM 26 CD GLU A 2 47.988 41.376 19.890 1.00 1.00 C ATOM 27 OE1 GLU A 2 46.995 42.013 19.576 1.00 1.00 O ATOM 28 OE2 GLU A 2 47.959 40.341 20.534 1.00 1.00 O ATOM 0 H GLU A 2 50.704 44.240 18.407 1.00 1.00 H new ATOM 0 HA GLU A 2 50.304 42.405 16.180 1.00 1.00 H new ATOM 0 HB2 GLU A 2 48.765 40.969 17.590 1.00 1.00 H new ATOM 0 HB3 GLU A 2 50.463 40.779 17.979 1.00 1.00 H new ATOM 0 HG2 GLU A 2 50.128 41.525 20.107 1.00 1.00 H new ATOM 0 HG3 GLU A 2 49.367 42.993 19.527 1.00 1.00 H new ATOM 35 N GLU A 3 48.681 44.381 15.947 1.00 1.00 N ATOM 36 CA GLU A 3 47.537 45.246 15.689 1.00 1.00 C ATOM 37 C GLU A 3 46.527 44.544 14.786 1.00 1.00 C ATOM 38 O GLU A 3 45.964 45.152 13.876 1.00 1.00 O ATOM 39 CB GLU A 3 48.004 46.544 15.026 1.00 1.00 C ATOM 40 CG GLU A 3 47.122 47.704 15.496 1.00 1.00 C ATOM 41 CD GLU A 3 45.658 47.400 15.195 1.00 1.00 C ATOM 42 OE1 GLU A 3 45.096 46.556 15.874 1.00 1.00 O ATOM 43 OE2 GLU A 3 45.120 48.017 14.290 1.00 1.00 O ATOM 0 H GLU A 3 49.432 44.453 15.261 1.00 1.00 H new ATOM 0 HA GLU A 3 47.057 45.477 16.640 1.00 1.00 H new ATOM 0 HB2 GLU A 3 49.046 46.740 15.279 1.00 1.00 H new ATOM 0 HB3 GLU A 3 47.952 46.450 13.941 1.00 1.00 H new ATOM 0 HG2 GLU A 3 47.256 47.864 16.566 1.00 1.00 H new ATOM 0 HG3 GLU A 3 47.421 48.625 14.996 1.00 1.00 H new ATOM 50 N GLY A 4 46.303 43.260 15.046 1.00 1.00 N ATOM 51 CA GLY A 4 45.359 42.482 14.252 1.00 1.00 C ATOM 52 C GLY A 4 46.092 41.567 13.277 1.00 1.00 C ATOM 53 O GLY A 4 45.704 41.443 12.116 1.00 1.00 O ATOM 0 H GLY A 4 46.759 42.739 15.795 1.00 1.00 H new ATOM 0 HA2 GLY A 4 44.728 41.886 14.911 1.00 1.00 H new ATOM 0 HA3 GLY A 4 44.701 43.154 13.701 1.00 1.00 H new ATOM 57 N GLY A 5 47.155 40.930 13.757 1.00 1.00 N ATOM 58 CA GLY A 5 47.936 40.029 12.918 1.00 1.00 C ATOM 59 C GLY A 5 47.027 39.087 12.135 1.00 1.00 C ATOM 60 O GLY A 5 47.069 39.048 10.906 1.00 1.00 O ATOM 0 H GLY A 5 47.493 41.020 14.715 1.00 1.00 H new ATOM 0 HA2 GLY A 5 48.548 40.609 12.226 1.00 1.00 H new ATOM 0 HA3 GLY A 5 48.619 39.449 13.538 1.00 1.00 H new ATOM 64 N ASP A 6 46.206 38.331 12.856 1.00 1.00 N ATOM 65 CA ASP A 6 45.289 37.393 12.218 1.00 1.00 C ATOM 66 C ASP A 6 46.000 36.619 11.113 1.00 1.00 C ATOM 67 O ASP A 6 45.605 36.677 9.948 1.00 1.00 O ATOM 68 CB ASP A 6 44.095 38.147 11.629 1.00 1.00 C ATOM 69 CG ASP A 6 42.941 37.183 11.377 1.00 1.00 C ATOM 70 OD1 ASP A 6 43.162 35.986 11.482 1.00 1.00 O ATOM 71 OD2 ASP A 6 41.855 37.653 11.085 1.00 1.00 O ATOM 0 H ASP A 6 46.156 38.348 13.875 1.00 1.00 H new ATOM 0 HA ASP A 6 44.936 36.689 12.971 1.00 1.00 H new ATOM 0 HB2 ASP A 6 43.779 38.935 12.313 1.00 1.00 H new ATOM 0 HB3 ASP A 6 44.385 38.632 10.697 1.00 1.00 H new ATOM 76 N PHE A 7 47.050 35.895 11.485 1.00 1.00 N ATOM 77 CA PHE A 7 47.809 35.113 10.515 1.00 1.00 C ATOM 78 C PHE A 7 48.008 35.903 9.227 1.00 1.00 C ATOM 79 O PHE A 7 47.866 37.126 9.211 1.00 1.00 O ATOM 80 CB PHE A 7 47.074 33.806 10.209 1.00 1.00 C ATOM 81 CG PHE A 7 48.050 32.656 10.260 1.00 1.00 C ATOM 82 CD1 PHE A 7 48.506 32.180 11.496 1.00 1.00 C ATOM 83 CD2 PHE A 7 48.500 32.065 9.073 1.00 1.00 C ATOM 84 CE1 PHE A 7 49.411 31.113 11.544 1.00 1.00 C ATOM 85 CE2 PHE A 7 49.406 30.999 9.121 1.00 1.00 C ATOM 86 CZ PHE A 7 49.861 30.522 10.357 1.00 1.00 C ATOM 0 H PHE A 7 47.393 35.833 12.443 1.00 1.00 H new ATOM 0 HA PHE A 7 48.786 34.888 10.942 1.00 1.00 H new ATOM 0 HB2 PHE A 7 46.273 33.649 10.931 1.00 1.00 H new ATOM 0 HB3 PHE A 7 46.610 33.859 9.224 1.00 1.00 H new ATOM 0 HD1 PHE A 7 48.160 32.636 12.412 1.00 1.00 H new ATOM 0 HD2 PHE A 7 48.148 32.432 8.120 1.00 1.00 H new ATOM 0 HE1 PHE A 7 49.762 30.746 12.497 1.00 1.00 H new ATOM 0 HE2 PHE A 7 49.754 30.544 8.205 1.00 1.00 H new ATOM 0 HZ PHE A 7 50.559 29.699 10.394 1.00 1.00 H new ATOM 96 N ASP A 8 48.336 35.196 8.150 1.00 1.00 N ATOM 97 CA ASP A 8 48.552 35.837 6.857 1.00 1.00 C ATOM 98 C ASP A 8 47.404 35.522 5.906 1.00 1.00 C ATOM 99 O ASP A 8 47.608 35.348 4.705 1.00 1.00 O ATOM 100 CB ASP A 8 49.871 35.354 6.248 1.00 1.00 C ATOM 101 CG ASP A 8 50.998 35.493 7.265 1.00 1.00 C ATOM 102 OD1 ASP A 8 50.962 36.441 8.033 1.00 1.00 O ATOM 103 OD2 ASP A 8 51.880 34.651 7.262 1.00 1.00 O ATOM 0 H ASP A 8 48.458 34.183 8.146 1.00 1.00 H new ATOM 0 HA ASP A 8 48.597 36.915 7.009 1.00 1.00 H new ATOM 0 HB2 ASP A 8 49.778 34.314 5.937 1.00 1.00 H new ATOM 0 HB3 ASP A 8 50.103 35.934 5.355 1.00 1.00 H new ATOM 108 N ASN A 9 46.198 35.452 6.455 1.00 1.00 N ATOM 109 CA ASN A 9 45.018 35.159 5.652 1.00 1.00 C ATOM 110 C ASN A 9 45.259 33.935 4.777 1.00 1.00 C ATOM 111 O ASN A 9 44.870 33.906 3.609 1.00 1.00 O ATOM 112 CB ASN A 9 44.678 36.361 4.771 1.00 1.00 C ATOM 113 CG ASN A 9 43.182 36.387 4.478 1.00 1.00 C ATOM 114 OD1 ASN A 9 42.367 36.281 5.395 1.00 1.00 O ATOM 115 ND2 ASN A 9 42.769 36.524 3.247 1.00 1.00 N ATOM 0 H ASN A 9 46.012 35.593 7.448 1.00 1.00 H new ATOM 0 HA ASN A 9 44.184 34.953 6.323 1.00 1.00 H new ATOM 0 HB2 ASN A 9 44.975 37.283 5.270 1.00 1.00 H new ATOM 0 HB3 ASN A 9 45.239 36.308 3.838 1.00 1.00 H new ATOM 0 HD21 ASN A 9 41.770 36.543 3.044 1.00 1.00 H new ATOM 0 HD22 ASN A 9 43.446 36.612 2.489 1.00 1.00 H new ATOM 122 N TYR A 10 45.903 32.924 5.351 1.00 1.00 N ATOM 123 CA TYR A 10 46.191 31.699 4.620 1.00 1.00 C ATOM 124 C TYR A 10 46.537 30.568 5.582 1.00 1.00 C ATOM 125 O TYR A 10 47.058 29.530 5.174 1.00 1.00 O ATOM 126 CB TYR A 10 47.356 31.930 3.657 1.00 1.00 C ATOM 127 CG TYR A 10 46.820 32.281 2.290 1.00 1.00 C ATOM 128 CD1 TYR A 10 46.333 31.272 1.449 1.00 1.00 C ATOM 129 CD2 TYR A 10 46.808 33.614 1.864 1.00 1.00 C ATOM 130 CE1 TYR A 10 45.835 31.598 0.182 1.00 1.00 C ATOM 131 CE2 TYR A 10 46.310 33.939 0.596 1.00 1.00 C ATOM 132 CZ TYR A 10 45.824 32.932 -0.245 1.00 1.00 C ATOM 133 OH TYR A 10 45.333 33.253 -1.494 1.00 1.00 O ATOM 0 H TYR A 10 46.233 32.930 6.316 1.00 1.00 H new ATOM 0 HA TYR A 10 45.303 31.417 4.055 1.00 1.00 H new ATOM 0 HB2 TYR A 10 47.993 32.734 4.027 1.00 1.00 H new ATOM 0 HB3 TYR A 10 47.975 31.035 3.597 1.00 1.00 H new ATOM 0 HD1 TYR A 10 46.342 30.243 1.778 1.00 1.00 H new ATOM 0 HD2 TYR A 10 47.183 34.392 2.513 1.00 1.00 H new ATOM 0 HE1 TYR A 10 45.459 30.821 -0.467 1.00 1.00 H new ATOM 0 HE2 TYR A 10 46.301 34.968 0.267 1.00 1.00 H new ATOM 0 HH TYR A 10 45.397 34.221 -1.632 1.00 1.00 H new ATOM 143 N TYR A 11 46.242 30.775 6.862 1.00 1.00 N ATOM 144 CA TYR A 11 46.527 29.764 7.874 1.00 1.00 C ATOM 145 C TYR A 11 45.800 28.462 7.550 1.00 1.00 C ATOM 146 O TYR A 11 44.787 28.464 6.851 1.00 1.00 O ATOM 147 CB TYR A 11 46.089 30.266 9.251 1.00 1.00 C ATOM 148 CG TYR A 11 44.768 29.635 9.621 1.00 1.00 C ATOM 149 CD1 TYR A 11 43.569 30.227 9.207 1.00 1.00 C ATOM 150 CD2 TYR A 11 44.743 28.458 10.378 1.00 1.00 C ATOM 151 CE1 TYR A 11 42.344 29.642 9.550 1.00 1.00 C ATOM 152 CE2 TYR A 11 43.518 27.873 10.721 1.00 1.00 C ATOM 153 CZ TYR A 11 42.319 28.465 10.306 1.00 1.00 C ATOM 154 OH TYR A 11 41.111 27.888 10.645 1.00 1.00 O ATOM 0 H TYR A 11 45.809 31.626 7.221 1.00 1.00 H new ATOM 0 HA TYR A 11 47.601 29.576 7.881 1.00 1.00 H new ATOM 0 HB2 TYR A 11 46.844 30.018 9.997 1.00 1.00 H new ATOM 0 HB3 TYR A 11 45.995 31.352 9.241 1.00 1.00 H new ATOM 0 HD1 TYR A 11 43.589 31.135 8.623 1.00 1.00 H new ATOM 0 HD2 TYR A 11 45.668 28.001 10.697 1.00 1.00 H new ATOM 0 HE1 TYR A 11 41.419 30.099 9.231 1.00 1.00 H new ATOM 0 HE2 TYR A 11 43.498 26.965 11.306 1.00 1.00 H new ATOM 0 HH TYR A 11 41.272 27.076 11.170 1.00 1.00 H new ATOM 164 N GLY A 12 46.324 27.355 8.062 1.00 1.00 N ATOM 165 CA GLY A 12 45.717 26.051 7.822 1.00 1.00 C ATOM 166 C GLY A 12 45.716 25.207 9.092 1.00 1.00 C ATOM 167 O GLY A 12 45.288 25.664 10.151 1.00 1.00 O ATOM 0 H GLY A 12 47.162 27.333 8.642 1.00 1.00 H new ATOM 0 HA2 GLY A 12 44.695 26.181 7.467 1.00 1.00 H new ATOM 0 HA3 GLY A 12 46.264 25.531 7.036 1.00 1.00 H new ATOM 171 N ALA A 13 46.197 23.974 8.977 1.00 1.00 N ATOM 172 CA ALA A 13 46.246 23.074 10.123 1.00 1.00 C ATOM 173 C ALA A 13 46.991 21.792 9.766 1.00 1.00 C ATOM 174 O ALA A 13 46.472 20.690 9.946 1.00 1.00 O ATOM 175 CB ALA A 13 44.828 22.732 10.580 1.00 1.00 C ATOM 0 H ALA A 13 46.556 23.577 8.109 1.00 1.00 H new ATOM 0 HA ALA A 13 46.777 23.576 10.932 1.00 1.00 H new ATOM 0 HB1 ALA A 13 44.874 22.059 11.436 1.00 1.00 H new ATOM 0 HB2 ALA A 13 44.307 23.646 10.864 1.00 1.00 H new ATOM 0 HB3 ALA A 13 44.290 22.246 9.766 1.00 1.00 H new ATOM 181 N ASP A 14 48.211 21.942 9.260 1.00 1.00 N ATOM 182 CA ASP A 14 49.019 20.789 8.881 1.00 1.00 C ATOM 183 C ASP A 14 49.288 19.903 10.093 1.00 1.00 C ATOM 184 O ASP A 14 50.386 19.912 10.649 1.00 1.00 O ATOM 185 CB ASP A 14 50.347 21.255 8.283 1.00 1.00 C ATOM 186 CG ASP A 14 50.095 22.326 7.226 1.00 1.00 C ATOM 187 OD1 ASP A 14 49.567 21.985 6.180 1.00 1.00 O ATOM 188 OD2 ASP A 14 50.434 23.471 7.478 1.00 1.00 O ATOM 0 H ASP A 14 48.659 22.845 9.104 1.00 1.00 H new ATOM 0 HA ASP A 14 48.469 20.212 8.137 1.00 1.00 H new ATOM 0 HB2 ASP A 14 50.990 21.652 9.069 1.00 1.00 H new ATOM 0 HB3 ASP A 14 50.872 20.410 7.838 1.00 1.00 H new ATOM 193 N ASN A 15 48.278 19.137 10.496 1.00 1.00 N ATOM 194 CA ASN A 15 48.418 18.248 11.643 1.00 1.00 C ATOM 195 C ASN A 15 47.464 17.064 11.522 1.00 1.00 C ATOM 196 O ASN A 15 46.937 16.575 12.521 1.00 1.00 O ATOM 197 CB ASN A 15 48.124 19.012 12.936 1.00 1.00 C ATOM 198 CG ASN A 15 49.263 19.979 13.240 1.00 1.00 C ATOM 199 OD1 ASN A 15 49.192 21.157 12.886 1.00 1.00 O ATOM 200 ND2 ASN A 15 50.318 19.551 13.878 1.00 1.00 N ATOM 0 H ASN A 15 47.361 19.114 10.049 1.00 1.00 H new ATOM 0 HA ASN A 15 49.442 17.875 11.667 1.00 1.00 H new ATOM 0 HB2 ASN A 15 47.187 19.560 12.839 1.00 1.00 H new ATOM 0 HB3 ASN A 15 48.000 18.312 13.762 1.00 1.00 H new ATOM 0 HD21 ASN A 15 51.084 20.192 14.084 1.00 1.00 H new ATOM 0 HD22 ASN A 15 50.376 18.576 14.171 1.00 1.00 H new ATOM 207 N GLN A 16 47.248 16.608 10.293 1.00 1.00 N ATOM 208 CA GLN A 16 46.356 15.480 10.053 1.00 1.00 C ATOM 209 C GLN A 16 47.154 14.194 9.870 1.00 1.00 C ATOM 210 O GLN A 16 47.138 13.590 8.797 1.00 1.00 O ATOM 211 CB GLN A 16 45.508 15.740 8.806 1.00 1.00 C ATOM 212 CG GLN A 16 46.423 15.887 7.589 1.00 1.00 C ATOM 213 CD GLN A 16 45.956 17.050 6.722 1.00 1.00 C ATOM 214 OE1 GLN A 16 45.028 16.900 5.927 1.00 1.00 O ATOM 215 NE2 GLN A 16 46.546 18.210 6.829 1.00 1.00 N ATOM 0 H GLN A 16 47.675 16.999 9.453 1.00 1.00 H new ATOM 0 HA GLN A 16 45.703 15.368 10.919 1.00 1.00 H new ATOM 0 HB2 GLN A 16 44.808 14.919 8.651 1.00 1.00 H new ATOM 0 HB3 GLN A 16 44.914 16.644 8.939 1.00 1.00 H new ATOM 0 HG2 GLN A 16 47.450 16.055 7.914 1.00 1.00 H new ATOM 0 HG3 GLN A 16 46.419 14.965 7.008 1.00 1.00 H new ATOM 0 HE21 GLN A 16 47.315 18.332 7.488 1.00 1.00 H new ATOM 0 HE22 GLN A 16 46.238 18.994 6.253 1.00 1.00 H new ATOM 224 N SER A 17 47.852 13.781 10.922 1.00 1.00 N ATOM 225 CA SER A 17 48.654 12.564 10.864 1.00 1.00 C ATOM 226 C SER A 17 47.791 11.372 10.461 1.00 1.00 C ATOM 227 O SER A 17 46.704 11.169 11.002 1.00 1.00 O ATOM 228 CB SER A 17 49.293 12.295 12.227 1.00 1.00 C ATOM 229 OG SER A 17 50.666 11.971 12.047 1.00 1.00 O ATOM 0 H SER A 17 47.879 14.266 11.819 1.00 1.00 H new ATOM 0 HA SER A 17 49.436 12.702 10.117 1.00 1.00 H new ATOM 0 HB2 SER A 17 49.195 13.172 12.867 1.00 1.00 H new ATOM 0 HB3 SER A 17 48.777 11.476 12.728 1.00 1.00 H new ATOM 0 HG SER A 17 51.079 11.800 12.919 1.00 1.00 H new ATOM 235 N GLU A 18 48.284 10.587 9.509 1.00 1.00 N ATOM 236 CA GLU A 18 47.549 9.418 9.041 1.00 1.00 C ATOM 237 C GLU A 18 48.095 8.148 9.687 1.00 1.00 C ATOM 238 O GLU A 18 49.067 7.565 9.210 1.00 1.00 O ATOM 239 CB GLU A 18 47.660 9.306 7.519 1.00 1.00 C ATOM 240 CG GLU A 18 46.886 8.077 7.040 1.00 1.00 C ATOM 241 CD GLU A 18 46.005 8.446 5.851 1.00 1.00 C ATOM 242 OE1 GLU A 18 46.522 8.487 4.746 1.00 1.00 O ATOM 243 OE2 GLU A 18 44.827 8.682 6.062 1.00 1.00 O ATOM 0 H GLU A 18 49.182 10.737 9.050 1.00 1.00 H new ATOM 0 HA GLU A 18 46.502 9.534 9.321 1.00 1.00 H new ATOM 0 HB2 GLU A 18 47.263 10.205 7.048 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.707 9.227 7.225 1.00 1.00 H new ATOM 0 HG2 GLU A 18 47.581 7.287 6.757 1.00 1.00 H new ATOM 0 HG3 GLU A 18 46.272 7.685 7.851 1.00 1.00 H new ATOM 250 N CYS A 19 47.460 7.726 10.776 1.00 1.00 N ATOM 251 CA CYS A 19 47.890 6.523 11.480 1.00 1.00 C ATOM 252 C CYS A 19 46.982 5.346 11.134 1.00 1.00 C ATOM 253 O CYS A 19 46.458 4.671 12.021 1.00 1.00 O ATOM 254 CB CYS A 19 47.862 6.764 12.990 1.00 1.00 C ATOM 255 SG CYS A 19 46.347 7.649 13.432 1.00 1.00 S ATOM 0 H CYS A 19 46.653 8.195 11.187 1.00 1.00 H new ATOM 0 HA CYS A 19 48.907 6.286 11.168 1.00 1.00 H new ATOM 0 HB2 CYS A 19 47.909 5.814 13.522 1.00 1.00 H new ATOM 0 HB3 CYS A 19 48.735 7.342 13.293 1.00 1.00 H new ATOM 0 HG CYS A 19 45.314 6.931 13.105 1.00 1.00 H new ATOM 261 N GLU A 20 46.801 5.108 9.840 1.00 1.00 N ATOM 262 CA GLU A 20 45.956 4.012 9.384 1.00 1.00 C ATOM 263 C GLU A 20 46.029 3.878 7.866 1.00 1.00 C ATOM 264 O GLU A 20 47.108 3.697 7.302 1.00 1.00 O ATOM 265 CB GLU A 20 44.507 4.254 9.812 1.00 1.00 C ATOM 266 CG GLU A 20 44.046 5.626 9.315 1.00 1.00 C ATOM 267 CD GLU A 20 42.726 5.491 8.563 1.00 1.00 C ATOM 268 OE1 GLU A 20 41.858 4.788 9.052 1.00 1.00 O ATOM 269 OE2 GLU A 20 42.603 6.096 7.511 1.00 1.00 O ATOM 0 H GLU A 20 47.226 5.656 9.092 1.00 1.00 H new ATOM 0 HA GLU A 20 46.315 3.087 9.836 1.00 1.00 H new ATOM 0 HB2 GLU A 20 43.863 3.474 9.407 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.425 4.203 10.898 1.00 1.00 H new ATOM 0 HG2 GLU A 20 43.926 6.306 10.158 1.00 1.00 H new ATOM 0 HG3 GLU A 20 44.804 6.059 8.662 1.00 1.00 H new ATOM 276 N TYR A 21 44.874 3.972 7.210 1.00 1.00 N ATOM 277 CA TYR A 21 44.819 3.862 5.756 1.00 1.00 C ATOM 278 C TYR A 21 45.767 2.775 5.260 1.00 1.00 C ATOM 279 O TYR A 21 46.202 2.794 4.109 1.00 1.00 O ATOM 280 CB TYR A 21 45.198 5.199 5.118 1.00 1.00 C ATOM 281 CG TYR A 21 44.851 5.170 3.649 1.00 1.00 C ATOM 282 CD1 TYR A 21 43.512 5.240 3.245 1.00 1.00 C ATOM 283 CD2 TYR A 21 45.867 5.069 2.690 1.00 1.00 C ATOM 284 CE1 TYR A 21 43.189 5.210 1.883 1.00 1.00 C ATOM 285 CE2 TYR A 21 45.544 5.040 1.329 1.00 1.00 C ATOM 286 CZ TYR A 21 44.205 5.111 0.925 1.00 1.00 C ATOM 287 OH TYR A 21 43.887 5.082 -0.418 1.00 1.00 O ATOM 0 H TYR A 21 43.971 4.123 7.659 1.00 1.00 H new ATOM 0 HA TYR A 21 43.801 3.596 5.471 1.00 1.00 H new ATOM 0 HB2 TYR A 21 44.668 6.013 5.612 1.00 1.00 H new ATOM 0 HB3 TYR A 21 46.264 5.387 5.248 1.00 1.00 H new ATOM 0 HD1 TYR A 21 42.728 5.317 3.984 1.00 1.00 H new ATOM 0 HD2 TYR A 21 46.900 5.014 3.001 1.00 1.00 H new ATOM 0 HE1 TYR A 21 42.156 5.263 1.572 1.00 1.00 H new ATOM 0 HE2 TYR A 21 46.328 4.963 0.590 1.00 1.00 H new ATOM 0 HH TYR A 21 44.709 5.012 -0.947 1.00 1.00 H new ATOM 297 N THR A 22 46.087 1.831 6.139 1.00 1.00 N ATOM 298 CA THR A 22 46.986 0.742 5.780 1.00 1.00 C ATOM 299 C THR A 22 46.928 -0.370 6.823 1.00 1.00 C ATOM 300 O THR A 22 47.048 -1.549 6.492 1.00 1.00 O ATOM 301 CB THR A 22 48.419 1.267 5.669 1.00 1.00 C ATOM 302 OG1 THR A 22 48.460 2.330 4.728 1.00 1.00 O ATOM 303 CG2 THR A 22 49.344 0.139 5.209 1.00 1.00 C ATOM 0 H THR A 22 45.740 1.798 7.098 1.00 1.00 H new ATOM 0 HA THR A 22 46.670 0.337 4.819 1.00 1.00 H new ATOM 0 HB THR A 22 48.750 1.630 6.642 1.00 1.00 H new ATOM 0 HG1 THR A 22 47.713 2.240 4.100 1.00 1.00 H new ATOM 0 HG21 THR A 22 50.364 0.514 5.130 1.00 1.00 H new ATOM 0 HG22 THR A 22 49.312 -0.676 5.932 1.00 1.00 H new ATOM 0 HG23 THR A 22 49.016 -0.227 4.236 1.00 1.00 H new ATOM 311 N ASP A 23 46.742 0.017 8.083 1.00 1.00 N ATOM 312 CA ASP A 23 46.666 -0.950 9.174 1.00 1.00 C ATOM 313 C ASP A 23 45.265 -0.969 9.773 1.00 1.00 C ATOM 314 O ASP A 23 45.071 -1.395 10.912 1.00 1.00 O ATOM 315 CB ASP A 23 47.684 -0.593 10.259 1.00 1.00 C ATOM 316 CG ASP A 23 49.078 -1.040 9.832 1.00 1.00 C ATOM 317 OD1 ASP A 23 49.360 -0.980 8.647 1.00 1.00 O ATOM 318 OD2 ASP A 23 49.842 -1.437 10.696 1.00 1.00 O ATOM 0 H ASP A 23 46.642 0.990 8.373 1.00 1.00 H new ATOM 0 HA ASP A 23 46.892 -1.939 8.776 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.676 0.482 10.437 1.00 1.00 H new ATOM 0 HB3 ASP A 23 47.411 -1.074 11.198 1.00 1.00 H new ATOM 323 N TRP A 24 44.291 -0.504 8.999 1.00 1.00 N ATOM 324 CA TRP A 24 42.909 -0.471 9.461 1.00 1.00 C ATOM 325 C TRP A 24 42.556 -1.761 10.200 1.00 1.00 C ATOM 326 O TRP A 24 42.776 -1.873 11.406 1.00 1.00 O ATOM 327 CB TRP A 24 41.960 -0.270 8.272 1.00 1.00 C ATOM 328 CG TRP A 24 42.597 -0.779 7.014 1.00 1.00 C ATOM 329 CD1 TRP A 24 43.375 -1.883 6.920 1.00 1.00 C ATOM 330 CD2 TRP A 24 42.519 -0.219 5.671 1.00 1.00 C ATOM 331 NE1 TRP A 24 43.778 -2.034 5.606 1.00 1.00 N ATOM 332 CE2 TRP A 24 43.277 -1.034 4.798 1.00 1.00 C ATOM 333 CE3 TRP A 24 41.870 0.907 5.132 1.00 1.00 C ATOM 334 CZ2 TRP A 24 43.387 -0.743 3.437 1.00 1.00 C ATOM 335 CZ3 TRP A 24 41.979 1.203 3.763 1.00 1.00 C ATOM 336 CH2 TRP A 24 42.736 0.379 2.918 1.00 1.00 C ATOM 0 H TRP A 24 44.432 -0.147 8.054 1.00 1.00 H new ATOM 0 HA TRP A 24 42.797 0.365 10.152 1.00 1.00 H new ATOM 0 HB2 TRP A 24 41.022 -0.795 8.452 1.00 1.00 H new ATOM 0 HB3 TRP A 24 41.718 0.787 8.164 1.00 1.00 H new ATOM 0 HD1 TRP A 24 43.638 -2.538 7.737 1.00 1.00 H new ATOM 0 HE1 TRP A 24 44.374 -2.793 5.274 1.00 1.00 H new ATOM 0 HE3 TRP A 24 41.284 1.548 5.775 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 43.971 -1.381 2.790 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 41.477 2.070 3.359 1.00 1.00 H new ATOM 0 HH2 TRP A 24 42.816 0.612 1.866 1.00 1.00 H new ATOM 347 N LYS A 25 42.009 -2.730 9.472 1.00 1.00 N ATOM 348 CA LYS A 25 41.631 -4.005 10.072 1.00 1.00 C ATOM 349 C LYS A 25 42.857 -4.892 10.264 1.00 1.00 C ATOM 350 O LYS A 25 42.769 -5.970 10.852 1.00 1.00 O ATOM 351 CB LYS A 25 40.617 -4.720 9.177 1.00 1.00 C ATOM 352 CG LYS A 25 41.161 -4.801 7.749 1.00 1.00 C ATOM 353 CD LYS A 25 41.231 -6.263 7.311 1.00 1.00 C ATOM 354 CE LYS A 25 41.854 -6.351 5.916 1.00 1.00 C ATOM 355 NZ LYS A 25 43.059 -7.226 5.963 1.00 1.00 N ATOM 0 H LYS A 25 41.819 -2.658 8.473 1.00 1.00 H new ATOM 0 HA LYS A 25 41.183 -3.809 11.046 1.00 1.00 H new ATOM 0 HB2 LYS A 25 40.421 -5.722 9.560 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.668 -4.184 9.186 1.00 1.00 H new ATOM 0 HG2 LYS A 25 40.519 -4.238 7.072 1.00 1.00 H new ATOM 0 HG3 LYS A 25 42.151 -4.348 7.700 1.00 1.00 H new ATOM 0 HD2 LYS A 25 41.824 -6.838 8.022 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.232 -6.699 7.302 1.00 1.00 H new ATOM 0 HE2 LYS A 25 41.129 -6.751 5.207 1.00 1.00 H new ATOM 0 HE3 LYS A 25 42.128 -5.356 5.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 43.482 -7.285 5.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 43.752 -6.826 6.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 42.785 -8.178 6.280 1.00 1.00 H new ATOM 369 N SER A 26 44.000 -4.431 9.767 1.00 1.00 N ATOM 370 CA SER A 26 45.237 -5.193 9.891 1.00 1.00 C ATOM 371 C SER A 26 45.797 -5.078 11.304 1.00 1.00 C ATOM 372 O SER A 26 46.263 -6.061 11.880 1.00 1.00 O ATOM 373 CB SER A 26 46.270 -4.679 8.888 1.00 1.00 C ATOM 374 OG SER A 26 47.361 -4.101 9.592 1.00 1.00 O ATOM 0 H SER A 26 44.096 -3.541 9.278 1.00 1.00 H new ATOM 0 HA SER A 26 45.019 -6.240 9.683 1.00 1.00 H new ATOM 0 HB2 SER A 26 46.621 -5.497 8.258 1.00 1.00 H new ATOM 0 HB3 SER A 26 45.816 -3.940 8.227 1.00 1.00 H new ATOM 0 HG SER A 26 48.026 -3.772 8.952 1.00 1.00 H new ATOM 380 N SER A 27 45.748 -3.870 11.858 1.00 1.00 N ATOM 381 CA SER A 27 46.253 -3.638 13.206 1.00 1.00 C ATOM 382 C SER A 27 45.704 -2.329 13.765 1.00 1.00 C ATOM 383 O SER A 27 46.298 -1.726 14.659 1.00 1.00 O ATOM 384 CB SER A 27 47.780 -3.587 13.189 1.00 1.00 C ATOM 385 OG SER A 27 48.293 -4.908 13.078 1.00 1.00 O ATOM 0 H SER A 27 45.367 -3.043 11.398 1.00 1.00 H new ATOM 0 HA SER A 27 45.924 -4.459 13.844 1.00 1.00 H new ATOM 0 HB2 SER A 27 48.126 -2.979 12.353 1.00 1.00 H new ATOM 0 HB3 SER A 27 48.150 -3.116 14.100 1.00 1.00 H new ATOM 0 HG SER A 27 47.550 -5.541 12.993 1.00 1.00 H new ATOM 391 N GLY A 28 44.566 -1.895 13.231 1.00 1.00 N ATOM 392 CA GLY A 28 43.946 -0.655 13.684 1.00 1.00 C ATOM 393 C GLY A 28 42.819 -0.938 14.671 1.00 1.00 C ATOM 394 O GLY A 28 42.374 -0.046 15.393 1.00 1.00 O ATOM 0 H GLY A 28 44.058 -2.379 12.490 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.696 -0.020 14.155 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.555 -0.105 12.828 1.00 1.00 H new ATOM 398 N ALA A 29 42.361 -2.186 14.698 1.00 1.00 N ATOM 399 CA ALA A 29 41.284 -2.575 15.601 1.00 1.00 C ATOM 400 C ALA A 29 41.800 -2.685 17.033 1.00 1.00 C ATOM 401 O ALA A 29 41.036 -2.963 17.957 1.00 1.00 O ATOM 402 CB ALA A 29 40.696 -3.918 15.164 1.00 1.00 C ATOM 0 H ALA A 29 42.716 -2.940 14.110 1.00 1.00 H new ATOM 0 HA ALA A 29 40.509 -1.810 15.564 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.892 -4.202 15.843 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.301 -3.830 14.152 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.475 -4.680 15.185 1.00 1.00 H new ATOM 408 N LEU A 30 43.099 -2.464 17.207 1.00 1.00 N ATOM 409 CA LEU A 30 43.707 -2.539 18.531 1.00 1.00 C ATOM 410 C LEU A 30 43.965 -1.140 19.082 1.00 1.00 C ATOM 411 O LEU A 30 45.107 -0.691 19.139 1.00 1.00 O ATOM 412 CB LEU A 30 45.026 -3.312 18.456 1.00 1.00 C ATOM 413 CG LEU A 30 44.819 -4.598 17.655 1.00 1.00 C ATOM 414 CD1 LEU A 30 46.133 -5.380 17.594 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.748 -5.454 18.335 1.00 1.00 C ATOM 0 H LEU A 30 43.747 -2.233 16.454 1.00 1.00 H new ATOM 0 HA LEU A 30 43.019 -3.058 19.198 1.00 1.00 H new ATOM 0 HB2 LEU A 30 45.794 -2.698 17.985 1.00 1.00 H new ATOM 0 HB3 LEU A 30 45.378 -3.549 19.460 1.00 1.00 H new ATOM 0 HG LEU A 30 44.498 -4.348 16.644 1.00 1.00 H new ATOM 0 HD11 LEU A 30 45.985 -6.297 17.023 1.00 1.00 H new ATOM 0 HD12 LEU A 30 46.897 -4.771 17.111 1.00 1.00 H new ATOM 0 HD13 LEU A 30 46.455 -5.630 18.605 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.599 -6.371 17.765 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.069 -5.703 19.346 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.811 -4.898 18.379 1.00 1.00 H new ATOM 427 N ILE A 31 42.889 -0.465 19.485 1.00 1.00 N ATOM 428 CA ILE A 31 42.973 0.890 20.042 1.00 1.00 C ATOM 429 C ILE A 31 41.574 1.497 20.162 1.00 1.00 C ATOM 430 O ILE A 31 41.265 2.155 21.155 1.00 1.00 O ATOM 431 CB ILE A 31 43.889 1.799 19.181 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.177 2.118 19.964 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.188 3.122 18.803 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.877 3.053 21.143 1.00 1.00 C ATOM 0 H ILE A 31 41.940 -0.836 19.436 1.00 1.00 H new ATOM 0 HA ILE A 31 43.416 0.821 21.036 1.00 1.00 H new ATOM 0 HB ILE A 31 44.123 1.262 18.262 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.624 1.194 20.331 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.906 2.583 19.301 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.861 3.731 18.200 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.285 2.905 18.232 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.922 3.665 19.710 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.800 3.266 21.683 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.452 3.985 20.770 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.166 2.574 21.816 1.00 1.00 H new ATOM 446 N PRO A 32 40.727 1.299 19.177 1.00 1.00 N ATOM 447 CA PRO A 32 39.341 1.854 19.192 1.00 1.00 C ATOM 448 C PRO A 32 38.489 1.235 20.296 1.00 1.00 C ATOM 449 O PRO A 32 37.330 1.606 20.482 1.00 1.00 O ATOM 450 CB PRO A 32 38.776 1.505 17.805 1.00 1.00 C ATOM 451 CG PRO A 32 39.950 1.094 16.977 1.00 1.00 C ATOM 452 CD PRO A 32 40.981 0.535 17.948 1.00 1.00 C ATOM 0 HA PRO A 32 39.338 2.925 19.393 1.00 1.00 H new ATOM 0 HB2 PRO A 32 38.044 0.700 17.872 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.267 2.362 17.363 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.663 0.344 16.240 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.354 1.943 16.426 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.849 -0.536 18.104 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.998 0.681 17.585 1.00 1.00 H new ATOM 460 N ALA A 33 39.074 0.291 21.028 1.00 1.00 N ATOM 461 CA ALA A 33 38.360 -0.371 22.114 1.00 1.00 C ATOM 462 C ALA A 33 38.610 0.351 23.434 1.00 1.00 C ATOM 463 O ALA A 33 37.790 0.294 24.350 1.00 1.00 O ATOM 464 CB ALA A 33 38.820 -1.826 22.230 1.00 1.00 C ATOM 0 H ALA A 33 40.032 -0.030 20.890 1.00 1.00 H new ATOM 0 HA ALA A 33 37.293 -0.345 21.894 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.282 -2.314 23.043 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.615 -2.348 21.295 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.890 -1.854 22.434 1.00 1.00 H new ATOM 470 N ILE A 34 39.750 1.030 23.523 1.00 1.00 N ATOM 471 CA ILE A 34 40.099 1.762 24.735 1.00 1.00 C ATOM 472 C ILE A 34 39.674 3.222 24.616 1.00 1.00 C ATOM 473 O ILE A 34 39.753 3.982 25.581 1.00 1.00 O ATOM 474 CB ILE A 34 41.607 1.685 24.975 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.999 0.242 25.298 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.984 2.589 26.150 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.506 0.065 25.102 1.00 1.00 C ATOM 0 H ILE A 34 40.443 1.088 22.776 1.00 1.00 H new ATOM 0 HA ILE A 34 39.575 1.309 25.577 1.00 1.00 H new ATOM 0 HB ILE A 34 42.134 2.014 24.079 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.725 0.001 26.325 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.454 -0.447 24.652 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.059 2.534 26.321 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.705 3.618 25.922 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.457 2.260 27.046 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.785 -0.963 25.332 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.767 0.289 24.068 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.041 0.743 25.766 1.00 1.00 H new ATOM 489 N TYR A 35 39.225 3.607 23.426 1.00 1.00 N ATOM 490 CA TYR A 35 38.792 4.979 23.190 1.00 1.00 C ATOM 491 C TYR A 35 37.322 5.149 23.560 1.00 1.00 C ATOM 492 O TYR A 35 36.964 6.047 24.322 1.00 1.00 O ATOM 493 CB TYR A 35 38.993 5.343 21.717 1.00 1.00 C ATOM 494 CG TYR A 35 39.960 6.497 21.610 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.338 6.268 21.718 1.00 1.00 C ATOM 496 CD2 TYR A 35 39.481 7.796 21.403 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.235 7.338 21.618 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.378 8.866 21.302 1.00 1.00 C ATOM 499 CZ TYR A 35 41.755 8.637 21.410 1.00 1.00 C ATOM 500 OH TYR A 35 42.639 9.691 21.311 1.00 1.00 O ATOM 0 H TYR A 35 39.152 2.993 22.615 1.00 1.00 H new ATOM 0 HA TYR A 35 39.391 5.641 23.815 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.375 4.483 21.168 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.038 5.612 21.264 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.708 5.266 21.878 1.00 1.00 H new ATOM 0 HD2 TYR A 35 38.419 7.973 21.321 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.297 7.162 21.701 1.00 1.00 H new ATOM 0 HE2 TYR A 35 40.008 9.868 21.141 1.00 1.00 H new ATOM 0 HH TYR A 35 42.141 10.523 21.166 1.00 1.00 H new ATOM 510 N MET A 36 36.474 4.283 23.014 1.00 1.00 N ATOM 511 CA MET A 36 35.044 4.349 23.293 1.00 1.00 C ATOM 512 C MET A 36 34.749 3.849 24.703 1.00 1.00 C ATOM 513 O MET A 36 33.597 3.834 25.137 1.00 1.00 O ATOM 514 CB MET A 36 34.274 3.505 22.277 1.00 1.00 C ATOM 515 CG MET A 36 34.511 4.057 20.870 1.00 1.00 C ATOM 516 SD MET A 36 32.920 4.406 20.082 1.00 1.00 S ATOM 517 CE MET A 36 32.829 6.158 20.521 1.00 1.00 C ATOM 0 H MET A 36 36.750 3.533 22.380 1.00 1.00 H new ATOM 0 HA MET A 36 34.726 5.389 23.216 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.599 2.466 22.331 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.209 3.518 22.510 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.111 4.966 20.921 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.073 3.337 20.275 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.907 6.584 20.127 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.842 6.262 21.606 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.683 6.685 20.095 1.00 1.00 H new ATOM 527 N LEU A 37 35.795 3.446 25.414 1.00 1.00 N ATOM 528 CA LEU A 37 35.634 2.951 26.777 1.00 1.00 C ATOM 529 C LEU A 37 35.843 4.083 27.776 1.00 1.00 C ATOM 530 O LEU A 37 35.878 3.858 28.987 1.00 1.00 O ATOM 531 CB LEU A 37 36.643 1.830 27.051 1.00 1.00 C ATOM 532 CG LEU A 37 35.949 0.465 26.966 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.964 0.304 28.129 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.192 0.356 25.640 1.00 1.00 C ATOM 0 H LEU A 37 36.757 3.451 25.074 1.00 1.00 H new ATOM 0 HA LEU A 37 34.623 2.560 26.889 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.457 1.878 26.328 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.085 1.961 28.039 1.00 1.00 H new ATOM 0 HG LEU A 37 36.703 -0.320 27.023 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.476 -0.668 28.060 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.502 0.374 29.074 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.212 1.092 28.081 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.699 -0.615 25.581 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.444 1.147 25.582 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.893 0.458 24.811 1.00 1.00 H new ATOM 546 N VAL A 38 35.981 5.300 27.259 1.00 1.00 N ATOM 547 CA VAL A 38 36.186 6.466 28.111 1.00 1.00 C ATOM 548 C VAL A 38 35.303 7.622 27.654 1.00 1.00 C ATOM 549 O VAL A 38 34.991 8.523 28.432 1.00 1.00 O ATOM 550 CB VAL A 38 37.653 6.893 28.065 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.904 7.972 29.119 1.00 1.00 C ATOM 552 CG2 VAL A 38 38.544 5.683 28.356 1.00 1.00 C ATOM 0 H VAL A 38 35.955 5.504 26.260 1.00 1.00 H new ATOM 0 HA VAL A 38 35.917 6.200 29.133 1.00 1.00 H new ATOM 0 HB VAL A 38 37.885 7.289 27.076 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.950 8.276 29.086 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.269 8.834 28.916 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.672 7.576 30.108 1.00 1.00 H new ATOM 0 HG21 VAL A 38 39.591 5.986 28.324 1.00 1.00 H new ATOM 0 HG22 VAL A 38 38.311 5.289 29.345 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.366 4.912 27.607 1.00 1.00 H new ATOM 562 N PHE A 39 34.903 7.589 26.385 1.00 1.00 N ATOM 563 CA PHE A 39 34.056 8.642 25.836 1.00 1.00 C ATOM 564 C PHE A 39 32.644 8.544 26.405 1.00 1.00 C ATOM 565 O PHE A 39 31.868 9.497 26.329 1.00 1.00 O ATOM 566 CB PHE A 39 34.003 8.527 24.311 1.00 1.00 C ATOM 567 CG PHE A 39 34.412 9.843 23.694 1.00 1.00 C ATOM 568 CD1 PHE A 39 35.763 10.203 23.644 1.00 1.00 C ATOM 569 CD2 PHE A 39 33.439 10.701 23.169 1.00 1.00 C ATOM 570 CE1 PHE A 39 36.142 11.423 23.071 1.00 1.00 C ATOM 571 CE2 PHE A 39 33.817 11.922 22.595 1.00 1.00 C ATOM 572 CZ PHE A 39 35.169 12.282 22.547 1.00 1.00 C ATOM 0 H PHE A 39 35.149 6.852 25.724 1.00 1.00 H new ATOM 0 HA PHE A 39 34.481 9.607 26.113 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.667 7.732 23.972 1.00 1.00 H new ATOM 0 HB3 PHE A 39 32.996 8.260 23.990 1.00 1.00 H new ATOM 0 HD1 PHE A 39 36.514 9.540 24.047 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.396 10.422 23.206 1.00 1.00 H new ATOM 0 HE1 PHE A 39 37.185 11.701 23.033 1.00 1.00 H new ATOM 0 HE2 PHE A 39 33.066 12.585 22.190 1.00 1.00 H new ATOM 0 HZ PHE A 39 35.461 13.223 22.105 1.00 1.00 H new ATOM 582 N LEU A 40 32.321 7.384 26.973 1.00 1.00 N ATOM 583 CA LEU A 40 31.000 7.162 27.555 1.00 1.00 C ATOM 584 C LEU A 40 31.108 6.966 29.063 1.00 1.00 C ATOM 585 O LEU A 40 30.233 7.388 29.819 1.00 1.00 O ATOM 586 CB LEU A 40 30.342 5.929 26.927 1.00 1.00 C ATOM 587 CG LEU A 40 31.371 5.145 26.107 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.791 3.780 25.735 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.710 5.916 24.827 1.00 1.00 C ATOM 0 H LEU A 40 32.953 6.587 27.042 1.00 1.00 H new ATOM 0 HA LEU A 40 30.387 8.040 27.352 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.925 5.292 27.707 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.513 6.235 26.289 1.00 1.00 H new ATOM 0 HG LEU A 40 32.276 5.012 26.700 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.522 3.221 25.151 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.552 3.227 26.643 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.885 3.918 25.145 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.442 5.354 24.247 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.806 6.053 24.234 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.124 6.890 25.088 1.00 1.00 H new ATOM 601 N LEU A 41 32.188 6.322 29.495 1.00 1.00 N ATOM 602 CA LEU A 41 32.401 6.073 30.916 1.00 1.00 C ATOM 603 C LEU A 41 33.055 7.284 31.577 1.00 1.00 C ATOM 604 O LEU A 41 33.774 7.151 32.567 1.00 1.00 O ATOM 605 CB LEU A 41 33.293 4.840 31.101 1.00 1.00 C ATOM 606 CG LEU A 41 32.462 3.562 30.920 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.476 3.391 32.084 1.00 1.00 C ATOM 608 CD2 LEU A 41 31.681 3.649 29.607 1.00 1.00 C ATOM 0 H LEU A 41 32.924 5.965 28.886 1.00 1.00 H new ATOM 0 HA LEU A 41 31.434 5.894 31.387 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.109 4.859 30.379 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.745 4.853 32.093 1.00 1.00 H new ATOM 0 HG LEU A 41 33.135 2.705 30.900 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.896 2.480 31.938 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.028 3.324 33.022 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.803 4.248 32.120 1.00 1.00 H new ATOM 0 HD21 LEU A 41 31.089 2.743 29.475 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.019 4.514 29.634 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.378 3.752 28.775 1.00 1.00 H new ATOM 620 N GLY A 42 32.800 8.464 31.020 1.00 1.00 N ATOM 621 CA GLY A 42 33.367 9.694 31.561 1.00 1.00 C ATOM 622 C GLY A 42 32.314 10.795 31.633 1.00 1.00 C ATOM 623 O GLY A 42 32.332 11.626 32.542 1.00 1.00 O ATOM 0 H GLY A 42 32.208 8.594 30.199 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.770 9.506 32.556 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.198 10.021 30.936 1.00 1.00 H new ATOM 627 N THR A 43 31.396 10.792 30.672 1.00 1.00 N ATOM 628 CA THR A 43 30.338 11.797 30.638 1.00 1.00 C ATOM 629 C THR A 43 29.234 11.446 31.630 1.00 1.00 C ATOM 630 O THR A 43 29.379 11.656 32.834 1.00 1.00 O ATOM 631 CB THR A 43 29.750 11.888 29.228 1.00 1.00 C ATOM 632 OG1 THR A 43 28.458 12.473 29.293 1.00 1.00 O ATOM 633 CG2 THR A 43 29.648 10.486 28.624 1.00 1.00 C ATOM 0 H THR A 43 31.362 10.112 29.913 1.00 1.00 H new ATOM 0 HA THR A 43 30.767 12.760 30.915 1.00 1.00 H new ATOM 0 HB THR A 43 30.397 12.504 28.603 1.00 1.00 H new ATOM 0 HG1 THR A 43 28.081 12.534 28.391 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.229 10.552 27.620 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.640 10.038 28.574 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.002 9.868 29.247 1.00 1.00 H new ATOM 641 N THR A 44 28.133 10.908 31.116 1.00 1.00 N ATOM 642 CA THR A 44 27.010 10.532 31.967 1.00 1.00 C ATOM 643 C THR A 44 27.503 9.805 33.214 1.00 1.00 C ATOM 644 O THR A 44 27.718 10.418 34.259 1.00 1.00 O ATOM 645 CB THR A 44 26.048 9.628 31.194 1.00 1.00 C ATOM 646 OG1 THR A 44 26.741 8.466 30.759 1.00 1.00 O ATOM 647 CG2 THR A 44 25.500 10.382 29.980 1.00 1.00 C ATOM 0 H THR A 44 27.995 10.724 30.122 1.00 1.00 H new ATOM 0 HA THR A 44 26.489 11.440 32.271 1.00 1.00 H new ATOM 0 HB THR A 44 25.221 9.338 31.842 1.00 1.00 H new ATOM 0 HG1 THR A 44 26.126 7.884 30.265 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.815 9.737 29.430 1.00 1.00 H new ATOM 0 HG22 THR A 44 24.970 11.274 30.314 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.325 10.673 29.330 1.00 1.00 H new ATOM 655 N GLY A 45 27.679 8.492 33.096 1.00 1.00 N ATOM 656 CA GLY A 45 28.147 7.691 34.221 1.00 1.00 C ATOM 657 C GLY A 45 28.228 6.216 33.843 1.00 1.00 C ATOM 658 O GLY A 45 29.316 5.647 33.753 1.00 1.00 O ATOM 0 H GLY A 45 27.506 7.964 32.240 1.00 1.00 H new ATOM 0 HA2 GLY A 45 29.128 8.043 34.540 1.00 1.00 H new ATOM 0 HA3 GLY A 45 27.472 7.817 35.068 1.00 1.00 H new ATOM 662 N ASN A 46 27.070 5.601 33.624 1.00 1.00 N ATOM 663 CA ASN A 46 27.022 4.191 33.255 1.00 1.00 C ATOM 664 C ASN A 46 27.817 3.351 34.250 1.00 1.00 C ATOM 665 O ASN A 46 29.047 3.329 34.214 1.00 1.00 O ATOM 666 CB ASN A 46 27.593 3.998 31.849 1.00 1.00 C ATOM 667 CG ASN A 46 26.461 3.937 30.831 1.00 1.00 C ATOM 668 OD1 ASN A 46 25.874 2.875 30.616 1.00 1.00 O ATOM 669 ND2 ASN A 46 26.114 5.018 30.187 1.00 1.00 N ATOM 0 H ASN A 46 26.158 6.053 33.695 1.00 1.00 H new ATOM 0 HA ASN A 46 25.982 3.866 33.271 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.268 4.819 31.606 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.179 3.080 31.809 1.00 1.00 H new ATOM 0 HD21 ASN A 46 25.356 4.984 29.505 1.00 1.00 H new ATOM 0 HD22 ASN A 46 26.601 5.896 30.366 1.00 1.00 H new ATOM 676 N GLY A 47 27.106 2.662 35.136 1.00 1.00 N ATOM 677 CA GLY A 47 27.757 1.823 36.137 1.00 1.00 C ATOM 678 C GLY A 47 27.808 2.528 37.488 1.00 1.00 C ATOM 679 O GLY A 47 27.623 1.903 38.532 1.00 1.00 O ATOM 0 H GLY A 47 26.087 2.667 35.182 1.00 1.00 H new ATOM 0 HA2 GLY A 47 27.218 0.881 36.234 1.00 1.00 H new ATOM 0 HA3 GLY A 47 28.768 1.579 35.811 1.00 1.00 H new ATOM 683 N LEU A 48 28.061 3.833 37.459 1.00 1.00 N ATOM 684 CA LEU A 48 28.135 4.613 38.690 1.00 1.00 C ATOM 685 C LEU A 48 26.766 5.186 39.043 1.00 1.00 C ATOM 686 O LEU A 48 26.327 5.106 40.190 1.00 1.00 O ATOM 687 CB LEU A 48 29.141 5.754 38.524 1.00 1.00 C ATOM 688 CG LEU A 48 30.171 5.694 39.653 1.00 1.00 C ATOM 689 CD1 LEU A 48 31.192 6.820 39.473 1.00 1.00 C ATOM 690 CD2 LEU A 48 29.462 5.860 40.999 1.00 1.00 C ATOM 0 H LEU A 48 28.217 4.369 36.605 1.00 1.00 H new ATOM 0 HA LEU A 48 28.460 3.956 39.497 1.00 1.00 H new ATOM 0 HB2 LEU A 48 29.640 5.676 37.558 1.00 1.00 H new ATOM 0 HB3 LEU A 48 28.624 6.714 38.539 1.00 1.00 H new ATOM 0 HG LEU A 48 30.683 4.732 39.627 1.00 1.00 H new ATOM 0 HD11 LEU A 48 31.926 6.777 40.278 1.00 1.00 H new ATOM 0 HD12 LEU A 48 31.697 6.703 38.514 1.00 1.00 H new ATOM 0 HD13 LEU A 48 30.681 7.782 39.499 1.00 1.00 H new ATOM 0 HD21 LEU A 48 30.195 5.817 41.804 1.00 1.00 H new ATOM 0 HD22 LEU A 48 28.951 6.822 41.025 1.00 1.00 H new ATOM 0 HD23 LEU A 48 28.734 5.059 41.128 1.00 1.00 H new ATOM 702 N VAL A 49 26.098 5.763 38.050 1.00 1.00 N ATOM 703 CA VAL A 49 24.778 6.346 38.268 1.00 1.00 C ATOM 704 C VAL A 49 23.889 5.382 39.046 1.00 1.00 C ATOM 705 O VAL A 49 22.959 5.800 39.737 1.00 1.00 O ATOM 706 CB VAL A 49 24.125 6.676 36.925 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.662 7.060 37.150 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.865 7.845 36.273 1.00 1.00 C ATOM 0 H VAL A 49 26.445 5.840 37.094 1.00 1.00 H new ATOM 0 HA VAL A 49 24.896 7.261 38.848 1.00 1.00 H new ATOM 0 HB VAL A 49 24.175 5.805 36.272 1.00 1.00 H new ATOM 0 HG11 VAL A 49 22.196 7.295 36.193 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.135 6.227 37.615 1.00 1.00 H new ATOM 0 HG13 VAL A 49 22.611 7.932 37.802 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.400 8.081 35.316 1.00 1.00 H new ATOM 0 HG22 VAL A 49 24.815 8.717 36.925 1.00 1.00 H new ATOM 0 HG23 VAL A 49 25.908 7.571 36.113 1.00 1.00 H new ATOM 718 N LEU A 50 24.179 4.091 38.930 1.00 1.00 N ATOM 719 CA LEU A 50 23.398 3.076 39.627 1.00 1.00 C ATOM 720 C LEU A 50 23.806 2.999 41.095 1.00 1.00 C ATOM 721 O LEU A 50 22.957 2.947 41.984 1.00 1.00 O ATOM 722 CB LEU A 50 23.605 1.712 38.966 1.00 1.00 C ATOM 723 CG LEU A 50 23.688 1.888 37.449 1.00 1.00 C ATOM 724 CD1 LEU A 50 23.732 0.514 36.777 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.457 2.654 36.958 1.00 1.00 C ATOM 0 H LEU A 50 24.944 3.724 38.364 1.00 1.00 H new ATOM 0 HA LEU A 50 22.345 3.352 39.568 1.00 1.00 H new ATOM 0 HB2 LEU A 50 24.519 1.250 39.340 1.00 1.00 H new ATOM 0 HB3 LEU A 50 22.782 1.044 39.221 1.00 1.00 H new ATOM 0 HG LEU A 50 24.590 2.445 37.197 1.00 1.00 H new ATOM 0 HD11 LEU A 50 23.791 0.639 35.696 1.00 1.00 H new ATOM 0 HD12 LEU A 50 24.607 -0.034 37.127 1.00 1.00 H new ATOM 0 HD13 LEU A 50 22.830 -0.043 37.029 1.00 1.00 H new ATOM 0 HD21 LEU A 50 22.514 2.780 35.877 1.00 1.00 H new ATOM 0 HD22 LEU A 50 21.556 2.095 37.211 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.423 3.633 37.436 1.00 1.00 H new ATOM 737 N TRP A 51 25.113 2.994 41.341 1.00 1.00 N ATOM 738 CA TRP A 51 25.622 2.924 42.706 1.00 1.00 C ATOM 739 C TRP A 51 24.812 3.829 43.627 1.00 1.00 C ATOM 740 O TRP A 51 24.554 3.487 44.781 1.00 1.00 O ATOM 741 CB TRP A 51 27.093 3.347 42.737 1.00 1.00 C ATOM 742 CG TRP A 51 27.268 4.468 43.711 1.00 1.00 C ATOM 743 CD1 TRP A 51 26.954 5.761 43.472 1.00 1.00 C ATOM 744 CD2 TRP A 51 27.792 4.418 45.069 1.00 1.00 C ATOM 745 NE1 TRP A 51 27.251 6.509 44.597 1.00 1.00 N ATOM 746 CE2 TRP A 51 27.770 5.725 45.609 1.00 1.00 C ATOM 747 CE3 TRP A 51 28.279 3.375 45.879 1.00 1.00 C ATOM 748 CZ2 TRP A 51 28.217 5.990 46.904 1.00 1.00 C ATOM 749 CZ3 TRP A 51 28.729 3.638 47.183 1.00 1.00 C ATOM 750 CH2 TRP A 51 28.698 4.942 47.695 1.00 1.00 C ATOM 0 H TRP A 51 25.833 3.037 40.620 1.00 1.00 H new ATOM 0 HA TRP A 51 25.532 1.895 43.055 1.00 1.00 H new ATOM 0 HB2 TRP A 51 27.720 2.502 43.022 1.00 1.00 H new ATOM 0 HB3 TRP A 51 27.413 3.661 41.744 1.00 1.00 H new ATOM 0 HD1 TRP A 51 26.539 6.147 42.553 1.00 1.00 H new ATOM 0 HE1 TRP A 51 27.105 7.516 44.670 1.00 1.00 H new ATOM 0 HE3 TRP A 51 28.307 2.366 45.495 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 28.192 6.997 47.293 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 29.101 2.830 47.795 1.00 1.00 H new ATOM 0 HH2 TRP A 51 29.045 5.137 48.699 1.00 1.00 H new ATOM 761 N THR A 52 24.411 4.986 43.110 1.00 1.00 N ATOM 762 CA THR A 52 23.629 5.933 43.895 1.00 1.00 C ATOM 763 C THR A 52 22.254 5.356 44.216 1.00 1.00 C ATOM 764 O THR A 52 21.859 5.277 45.379 1.00 1.00 O ATOM 765 CB THR A 52 23.467 7.244 43.124 1.00 1.00 C ATOM 766 OG1 THR A 52 24.699 7.953 43.133 1.00 1.00 O ATOM 767 CG2 THR A 52 22.381 8.097 43.783 1.00 1.00 C ATOM 0 H THR A 52 24.613 5.289 42.157 1.00 1.00 H new ATOM 0 HA THR A 52 24.157 6.125 44.829 1.00 1.00 H new ATOM 0 HB THR A 52 23.180 7.026 42.095 1.00 1.00 H new ATOM 0 HG1 THR A 52 25.436 7.326 43.286 1.00 1.00 H new ATOM 0 HG21 THR A 52 22.267 9.031 43.232 1.00 1.00 H new ATOM 0 HG22 THR A 52 21.436 7.553 43.775 1.00 1.00 H new ATOM 0 HG23 THR A 52 22.665 8.316 44.812 1.00 1.00 H new ATOM 775 N VAL A 53 21.530 4.953 43.178 1.00 1.00 N ATOM 776 CA VAL A 53 20.200 4.384 43.361 1.00 1.00 C ATOM 777 C VAL A 53 20.244 3.235 44.364 1.00 1.00 C ATOM 778 O VAL A 53 19.217 2.840 44.916 1.00 1.00 O ATOM 779 CB VAL A 53 19.659 3.877 42.023 1.00 1.00 C ATOM 780 CG1 VAL A 53 18.217 3.400 42.203 1.00 1.00 C ATOM 781 CG2 VAL A 53 19.697 5.011 40.997 1.00 1.00 C ATOM 0 H VAL A 53 21.839 5.009 42.207 1.00 1.00 H new ATOM 0 HA VAL A 53 19.541 5.163 43.746 1.00 1.00 H new ATOM 0 HB VAL A 53 20.274 3.048 41.673 1.00 1.00 H new ATOM 0 HG11 VAL A 53 17.832 3.039 41.250 1.00 1.00 H new ATOM 0 HG12 VAL A 53 18.189 2.593 42.935 1.00 1.00 H new ATOM 0 HG13 VAL A 53 17.601 4.228 42.553 1.00 1.00 H new ATOM 0 HG21 VAL A 53 19.312 4.651 40.043 1.00 1.00 H new ATOM 0 HG22 VAL A 53 19.082 5.840 41.348 1.00 1.00 H new ATOM 0 HG23 VAL A 53 20.725 5.351 40.868 1.00 1.00 H new ATOM 791 N PHE A 54 21.440 2.703 44.592 1.00 1.00 N ATOM 792 CA PHE A 54 21.608 1.599 45.530 1.00 1.00 C ATOM 793 C PHE A 54 22.094 2.115 46.881 1.00 1.00 C ATOM 794 O PHE A 54 22.698 1.373 47.657 1.00 1.00 O ATOM 795 CB PHE A 54 22.612 0.588 44.975 1.00 1.00 C ATOM 796 CG PHE A 54 22.013 -0.796 45.025 1.00 1.00 C ATOM 797 CD1 PHE A 54 21.892 -1.463 46.250 1.00 1.00 C ATOM 798 CD2 PHE A 54 21.579 -1.415 43.846 1.00 1.00 C ATOM 799 CE1 PHE A 54 21.336 -2.748 46.296 1.00 1.00 C ATOM 800 CE2 PHE A 54 21.024 -2.699 43.892 1.00 1.00 C ATOM 801 CZ PHE A 54 20.903 -3.365 45.118 1.00 1.00 C ATOM 0 H PHE A 54 22.301 3.015 44.144 1.00 1.00 H new ATOM 0 HA PHE A 54 20.642 1.112 45.665 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.874 0.846 43.949 1.00 1.00 H new ATOM 0 HB3 PHE A 54 23.534 0.618 45.556 1.00 1.00 H new ATOM 0 HD1 PHE A 54 22.227 -0.987 47.160 1.00 1.00 H new ATOM 0 HD2 PHE A 54 21.673 -0.901 42.901 1.00 1.00 H new ATOM 0 HE1 PHE A 54 21.242 -3.262 47.241 1.00 1.00 H new ATOM 0 HE2 PHE A 54 20.689 -3.176 42.983 1.00 1.00 H new ATOM 0 HZ PHE A 54 20.475 -4.356 45.154 1.00 1.00 H new ATOM 811 N ARG A 55 21.825 3.388 47.153 1.00 1.00 N ATOM 812 CA ARG A 55 22.239 3.999 48.413 1.00 1.00 C ATOM 813 C ARG A 55 21.077 4.756 49.048 1.00 1.00 C ATOM 814 O ARG A 55 20.974 4.841 50.272 1.00 1.00 O ATOM 815 CB ARG A 55 23.404 4.961 48.169 1.00 1.00 C ATOM 816 CG ARG A 55 24.686 4.161 47.927 1.00 1.00 C ATOM 817 CD ARG A 55 25.543 4.175 49.195 1.00 1.00 C ATOM 818 NE ARG A 55 24.797 3.611 50.314 1.00 1.00 N ATOM 819 CZ ARG A 55 25.136 3.876 51.570 1.00 1.00 C ATOM 820 NH1 ARG A 55 26.155 4.652 51.822 1.00 1.00 N ATOM 821 NH2 ARG A 55 24.450 3.362 52.554 1.00 1.00 N ATOM 0 H ARG A 55 21.325 4.014 46.522 1.00 1.00 H new ATOM 0 HA ARG A 55 22.557 3.208 49.092 1.00 1.00 H new ATOM 0 HB2 ARG A 55 23.191 5.596 47.309 1.00 1.00 H new ATOM 0 HB3 ARG A 55 23.531 5.620 49.028 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.441 3.135 47.652 1.00 1.00 H new ATOM 0 HG3 ARG A 55 25.243 4.590 47.094 1.00 1.00 H new ATOM 0 HD2 ARG A 55 26.456 3.602 49.032 1.00 1.00 H new ATOM 0 HD3 ARG A 55 25.845 5.196 49.428 1.00 1.00 H new ATOM 0 HE ARG A 55 24.000 3.002 50.128 1.00 1.00 H new ATOM 0 HH11 ARG A 55 26.691 5.055 51.054 1.00 1.00 H new ATOM 0 HH12 ARG A 55 26.415 4.855 52.787 1.00 1.00 H new ATOM 0 HH21 ARG A 55 23.653 2.756 52.358 1.00 1.00 H new ATOM 0 HH22 ARG A 55 24.711 3.566 53.519 1.00 1.00 H new ATOM 835 N LYS A 56 20.204 5.304 48.210 1.00 1.00 N ATOM 836 CA LYS A 56 19.052 6.050 48.703 1.00 1.00 C ATOM 837 C LYS A 56 17.909 5.100 49.044 1.00 1.00 C ATOM 838 O LYS A 56 17.095 5.384 49.923 1.00 1.00 O ATOM 839 CB LYS A 56 18.580 7.059 47.649 1.00 1.00 C ATOM 840 CG LYS A 56 19.772 7.572 46.826 1.00 1.00 C ATOM 841 CD LYS A 56 20.807 8.239 47.742 1.00 1.00 C ATOM 842 CE LYS A 56 20.171 9.427 48.468 1.00 1.00 C ATOM 843 NZ LYS A 56 19.616 8.974 49.775 1.00 1.00 N ATOM 0 H LYS A 56 20.271 5.247 47.194 1.00 1.00 H new ATOM 0 HA LYS A 56 19.352 6.585 49.604 1.00 1.00 H new ATOM 0 HB2 LYS A 56 17.849 6.591 46.990 1.00 1.00 H new ATOM 0 HB3 LYS A 56 18.079 7.896 48.136 1.00 1.00 H new ATOM 0 HG2 LYS A 56 20.233 6.744 46.287 1.00 1.00 H new ATOM 0 HG3 LYS A 56 19.426 8.285 46.078 1.00 1.00 H new ATOM 0 HD2 LYS A 56 21.183 7.517 48.467 1.00 1.00 H new ATOM 0 HD3 LYS A 56 21.662 8.575 47.155 1.00 1.00 H new ATOM 0 HE2 LYS A 56 20.914 10.209 48.628 1.00 1.00 H new ATOM 0 HE3 LYS A 56 19.380 9.860 47.856 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 19.496 9.794 50.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 18.694 8.517 49.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 20.270 8.294 50.213 1.00 1.00 H new ATOM 857 N LYS A 57 17.854 3.971 48.344 1.00 1.00 N ATOM 858 CA LYS A 57 16.806 2.987 48.583 1.00 1.00 C ATOM 859 C LYS A 57 17.269 1.949 49.603 1.00 1.00 C ATOM 860 O LYS A 57 17.014 0.755 49.449 1.00 1.00 O ATOM 861 CB LYS A 57 16.436 2.290 47.273 1.00 1.00 C ATOM 862 CG LYS A 57 15.576 3.230 46.424 1.00 1.00 C ATOM 863 CD LYS A 57 15.822 2.953 44.939 1.00 1.00 C ATOM 864 CE LYS A 57 15.442 1.506 44.619 1.00 1.00 C ATOM 865 NZ LYS A 57 14.047 1.247 45.074 1.00 1.00 N ATOM 0 H LYS A 57 18.518 3.717 47.612 1.00 1.00 H new ATOM 0 HA LYS A 57 15.931 3.503 48.978 1.00 1.00 H new ATOM 0 HB2 LYS A 57 17.338 2.013 46.728 1.00 1.00 H new ATOM 0 HB3 LYS A 57 15.892 1.368 47.479 1.00 1.00 H new ATOM 0 HG2 LYS A 57 14.522 3.087 46.661 1.00 1.00 H new ATOM 0 HG3 LYS A 57 15.817 4.268 46.655 1.00 1.00 H new ATOM 0 HD2 LYS A 57 15.234 3.638 44.328 1.00 1.00 H new ATOM 0 HD3 LYS A 57 16.870 3.127 44.694 1.00 1.00 H new ATOM 0 HE2 LYS A 57 15.526 1.325 43.547 1.00 1.00 H new ATOM 0 HE3 LYS A 57 16.130 0.820 45.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 13.668 0.416 44.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 14.043 1.069 46.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 13.454 2.075 44.865 1.00 1.00 H new ATOM 879 N GLY A 58 17.952 2.416 50.643 1.00 1.00 N ATOM 880 CA GLY A 58 18.448 1.520 51.681 1.00 1.00 C ATOM 881 C GLY A 58 17.337 1.156 52.661 1.00 1.00 C ATOM 882 O GLY A 58 17.291 0.038 53.176 1.00 1.00 O ATOM 0 H GLY A 58 18.173 3.401 50.789 1.00 1.00 H new ATOM 0 HA2 GLY A 58 18.848 0.614 51.225 1.00 1.00 H new ATOM 0 HA3 GLY A 58 19.269 1.996 52.216 1.00 1.00 H new ATOM 886 N HIS A 59 16.443 2.106 52.915 1.00 1.00 N ATOM 887 CA HIS A 59 15.337 1.874 53.835 1.00 1.00 C ATOM 888 C HIS A 59 14.069 2.559 53.333 1.00 1.00 C ATOM 889 O HIS A 59 13.068 1.902 53.047 1.00 1.00 O ATOM 890 CB HIS A 59 15.690 2.407 55.224 1.00 1.00 C ATOM 891 CG HIS A 59 16.488 1.374 55.971 1.00 1.00 C ATOM 892 ND1 HIS A 59 15.886 0.367 56.709 1.00 1.00 N ATOM 893 CD2 HIS A 59 17.841 1.176 56.102 1.00 1.00 C ATOM 894 CE1 HIS A 59 16.866 -0.383 57.247 1.00 1.00 C ATOM 895 NE2 HIS A 59 18.076 0.067 56.909 1.00 1.00 N ATOM 0 H HIS A 59 16.462 3.037 52.500 1.00 1.00 H new ATOM 0 HA HIS A 59 15.159 0.800 53.893 1.00 1.00 H new ATOM 0 HB2 HIS A 59 16.263 3.330 55.136 1.00 1.00 H new ATOM 0 HB3 HIS A 59 14.781 2.647 55.775 1.00 1.00 H new ATOM 0 HD2 HIS A 59 18.606 1.788 55.648 1.00 1.00 H new ATOM 0 HE1 HIS A 59 16.694 -1.244 57.876 1.00 1.00 H new ATOM 0 HE2 HIS A 59 18.979 -0.319 57.183 1.00 1.00 H new ATOM 903 N HIS A 60 14.119 3.882 53.230 1.00 1.00 N ATOM 904 CA HIS A 60 12.968 4.647 52.762 1.00 1.00 C ATOM 905 C HIS A 60 11.683 4.118 53.391 1.00 1.00 C ATOM 906 O HIS A 60 10.650 4.020 52.728 1.00 1.00 O ATOM 907 CB HIS A 60 12.866 4.558 51.238 1.00 1.00 C ATOM 908 CG HIS A 60 11.932 5.624 50.735 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.805 5.326 49.986 1.00 1.00 N ATOM 910 CD2 HIS A 60 11.944 6.991 50.868 1.00 1.00 C ATOM 911 CE1 HIS A 60 10.190 6.488 49.698 1.00 1.00 C ATOM 912 NE2 HIS A 60 10.843 7.534 50.212 1.00 1.00 N ATOM 0 H HIS A 60 14.938 4.445 53.462 1.00 1.00 H new ATOM 0 HA HIS A 60 13.103 5.688 53.057 1.00 1.00 H new ATOM 0 HB2 HIS A 60 13.852 4.682 50.789 1.00 1.00 H new ATOM 0 HB3 HIS A 60 12.503 3.573 50.944 1.00 1.00 H new ATOM 0 HD2 HIS A 60 12.693 7.558 51.400 1.00 1.00 H new ATOM 0 HE1 HIS A 60 9.280 6.565 49.122 1.00 1.00 H new ATOM 0 HE2 HIS A 60 10.589 8.519 50.139 1.00 1.00 H new ATOM 920 N HIS A 61 11.755 3.780 54.675 1.00 1.00 N ATOM 921 CA HIS A 61 10.591 3.262 55.384 1.00 1.00 C ATOM 922 C HIS A 61 9.904 4.375 56.170 1.00 1.00 C ATOM 923 O HIS A 61 8.849 4.869 55.773 1.00 1.00 O ATOM 924 CB HIS A 61 11.015 2.147 56.340 1.00 1.00 C ATOM 925 CG HIS A 61 11.558 0.988 55.551 1.00 1.00 C ATOM 926 ND1 HIS A 61 10.894 0.467 54.451 1.00 1.00 N ATOM 927 CD2 HIS A 61 12.700 0.239 55.687 1.00 1.00 C ATOM 928 CE1 HIS A 61 11.635 -0.550 53.974 1.00 1.00 C ATOM 929 NE2 HIS A 61 12.746 -0.732 54.691 1.00 1.00 N ATOM 0 H HIS A 61 12.600 3.855 55.241 1.00 1.00 H new ATOM 0 HA HIS A 61 9.890 2.864 54.651 1.00 1.00 H new ATOM 0 HB2 HIS A 61 11.772 2.516 57.032 1.00 1.00 H new ATOM 0 HB3 HIS A 61 10.164 1.825 56.940 1.00 1.00 H new ATOM 0 HD2 HIS A 61 13.450 0.382 56.451 1.00 1.00 H new ATOM 0 HE1 HIS A 61 11.364 -1.146 53.115 1.00 1.00 H new ATOM 0 HE2 HIS A 61 13.472 -1.432 54.541 1.00 1.00 H new ATOM 937 N HIS A 62 10.510 4.764 57.287 1.00 1.00 N ATOM 938 CA HIS A 62 9.948 5.820 58.121 1.00 1.00 C ATOM 939 C HIS A 62 9.763 7.101 57.313 1.00 1.00 C ATOM 940 O HIS A 62 10.231 7.203 56.179 1.00 1.00 O ATOM 941 CB HIS A 62 10.871 6.094 59.310 1.00 1.00 C ATOM 942 CG HIS A 62 10.050 6.527 60.494 1.00 1.00 C ATOM 943 ND1 HIS A 62 9.715 7.854 60.714 1.00 1.00 N ATOM 944 CD2 HIS A 62 9.490 5.822 61.529 1.00 1.00 C ATOM 945 CE1 HIS A 62 8.985 7.906 61.843 1.00 1.00 C ATOM 946 NE2 HIS A 62 8.818 6.695 62.380 1.00 1.00 N ATOM 0 H HIS A 62 11.383 4.367 57.634 1.00 1.00 H new ATOM 0 HA HIS A 62 8.975 5.490 58.485 1.00 1.00 H new ATOM 0 HB2 HIS A 62 11.439 5.197 59.557 1.00 1.00 H new ATOM 0 HB3 HIS A 62 11.593 6.869 59.052 1.00 1.00 H new ATOM 0 HD2 HIS A 62 9.560 4.753 61.663 1.00 1.00 H new ATOM 0 HE1 HIS A 62 8.583 8.816 62.263 1.00 1.00 H new ATOM 0 HE2 HIS A 62 8.308 6.460 63.231 1.00 1.00 H new ATOM 954 N HIS A 63 9.079 8.074 57.904 1.00 1.00 N ATOM 955 CA HIS A 63 8.839 9.343 57.232 1.00 1.00 C ATOM 956 C HIS A 63 8.390 10.404 58.231 1.00 1.00 C ATOM 957 O HIS A 63 7.401 10.224 58.941 1.00 1.00 O ATOM 958 CB HIS A 63 7.766 9.167 56.156 1.00 1.00 C ATOM 959 CG HIS A 63 7.101 10.489 55.889 1.00 1.00 C ATOM 960 ND1 HIS A 63 7.776 11.554 55.312 1.00 1.00 N ATOM 961 CD2 HIS A 63 5.822 10.935 56.116 1.00 1.00 C ATOM 962 CE1 HIS A 63 6.908 12.577 55.212 1.00 1.00 C ATOM 963 NE2 HIS A 63 5.702 12.253 55.687 1.00 1.00 N ATOM 0 H HIS A 63 8.683 8.008 58.842 1.00 1.00 H new ATOM 0 HA HIS A 63 9.770 9.669 56.769 1.00 1.00 H new ATOM 0 HB2 HIS A 63 8.214 8.782 55.240 1.00 1.00 H new ATOM 0 HB3 HIS A 63 7.027 8.435 56.481 1.00 1.00 H new ATOM 0 HD2 HIS A 63 5.029 10.351 56.560 1.00 1.00 H new ATOM 0 HE1 HIS A 63 7.156 13.543 54.798 1.00 1.00 H new ATOM 0 HE2 HIS A 63 4.872 12.845 55.727 1.00 1.00 H new ATOM 971 N HIS A 64 9.126 11.511 58.282 1.00 1.00 N ATOM 972 CA HIS A 64 8.795 12.594 59.200 1.00 1.00 C ATOM 973 C HIS A 64 7.335 13.006 59.039 1.00 1.00 C ATOM 974 O HIS A 64 6.520 12.545 59.822 1.00 1.00 O ATOM 975 CB HIS A 64 9.698 13.799 58.933 1.00 1.00 C ATOM 976 CG HIS A 64 9.667 14.723 60.119 1.00 1.00 C ATOM 977 ND1 HIS A 64 10.609 15.723 60.303 1.00 1.00 N ATOM 978 CD2 HIS A 64 8.813 14.811 61.191 1.00 1.00 C ATOM 979 CE1 HIS A 64 10.303 16.364 61.446 1.00 1.00 C ATOM 980 NE2 HIS A 64 9.217 15.848 62.028 1.00 1.00 N ATOM 981 OXT HIS A 64 7.053 13.774 58.135 1.00 1.00 O ATOM 0 H HIS A 64 9.949 11.680 57.703 1.00 1.00 H new ATOM 0 HA HIS A 64 8.951 12.241 60.219 1.00 1.00 H new ATOM 0 HB2 HIS A 64 10.719 13.467 58.744 1.00 1.00 H new ATOM 0 HB3 HIS A 64 9.364 14.326 58.039 1.00 1.00 H new ATOM 0 HD2 HIS A 64 7.958 14.173 61.359 1.00 1.00 H new ATOM 0 HE1 HIS A 64 10.867 17.195 61.844 1.00 1.00 H new ATOM 0 HE2 HIS A 64 8.778 16.149 62.898 1.00 1.00 H new TER 989 HIS A 64