USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS : no HE2:sc= -4.4 K(o=-6.9,f=-6!) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -2.51! K(o=-6.9!,f=-9.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.242 (180deg=-1.41!) USER MOD Single : A 9 ASN : amide:sc= -0.605 K(o=-0.6,f=-2.9!) 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= -1.15 K(o=-1.2,f=0.49) USER MOD Single : A 16 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.078 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00943 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.0322 (180deg=-0.275) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 167:sc= 1.15 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 179:sc= 0 (180deg=-0.000197) USER MOD Single : A 43 THR OG1 : rot 140:sc= -0.981 USER MOD Single : A 44 THR OG1 : rot 146:sc= 0.906 USER MOD Single : A 46 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.24) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.217 USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.237 (180deg=-1.06) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc=-0.00417 (180deg=-0.197) USER MOD Single : A 59 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-2.6!) USER MOD Single : A 61 HIS : no HE2:sc= -1.57! C(o=-1.6!,f=-5.3!) USER MOD Single : A 62 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-1.8!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.827 9.361 -6.281 1.00 1.00 N ATOM 2 CA MET A 1 56.942 7.887 -6.461 1.00 1.00 C ATOM 3 C MET A 1 55.602 7.327 -6.928 1.00 1.00 C ATOM 4 O MET A 1 55.265 7.401 -8.110 1.00 1.00 O ATOM 5 CB MET A 1 57.344 7.242 -5.133 1.00 1.00 C ATOM 6 CG MET A 1 56.668 7.987 -3.980 1.00 1.00 C ATOM 7 SD MET A 1 56.325 6.829 -2.631 1.00 1.00 S ATOM 8 CE MET A 1 56.395 8.029 -1.279 1.00 1.00 C ATOM 0 H1 MET A 1 57.515 9.679 -5.569 1.00 1.00 H new ATOM 0 H2 MET A 1 57.019 9.837 -7.185 1.00 1.00 H new ATOM 0 H3 MET A 1 55.866 9.598 -5.963 1.00 1.00 H new ATOM 0 HA MET A 1 57.702 7.666 -7.210 1.00 1.00 H new ATOM 0 HB2 MET A 1 57.052 6.192 -5.123 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.427 7.272 -5.015 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.311 8.793 -3.627 1.00 1.00 H new ATOM 0 HG3 MET A 1 55.741 8.446 -4.324 1.00 1.00 H new ATOM 0 HE1 MET A 1 56.208 7.522 -0.332 1.00 1.00 H new ATOM 0 HE2 MET A 1 57.382 8.492 -1.254 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.638 8.797 -1.435 1.00 1.00 H new ATOM 20 N GLU A 2 54.842 6.768 -5.992 1.00 1.00 N ATOM 21 CA GLU A 2 53.540 6.200 -6.319 1.00 1.00 C ATOM 22 C GLU A 2 52.520 7.306 -6.568 1.00 1.00 C ATOM 23 O GLU A 2 52.463 8.290 -5.829 1.00 1.00 O ATOM 24 CB GLU A 2 53.058 5.306 -5.175 1.00 1.00 C ATOM 25 CG GLU A 2 54.164 4.319 -4.797 1.00 1.00 C ATOM 26 CD GLU A 2 53.559 2.954 -4.480 1.00 1.00 C ATOM 27 OE1 GLU A 2 52.594 2.915 -3.735 1.00 1.00 O ATOM 28 OE2 GLU A 2 54.071 1.970 -4.987 1.00 1.00 O ATOM 0 H GLU A 2 55.103 6.696 -5.008 1.00 1.00 H new ATOM 0 HA GLU A 2 53.642 5.605 -7.226 1.00 1.00 H new ATOM 0 HB2 GLU A 2 52.789 5.915 -4.312 1.00 1.00 H new ATOM 0 HB3 GLU A 2 52.161 4.765 -5.475 1.00 1.00 H new ATOM 0 HG2 GLU A 2 54.878 4.228 -5.616 1.00 1.00 H new ATOM 0 HG3 GLU A 2 54.715 4.691 -3.934 1.00 1.00 H new ATOM 35 N GLU A 3 51.713 7.137 -7.611 1.00 1.00 N ATOM 36 CA GLU A 3 50.698 8.127 -7.948 1.00 1.00 C ATOM 37 C GLU A 3 49.804 7.616 -9.073 1.00 1.00 C ATOM 38 O GLU A 3 50.168 7.681 -10.247 1.00 1.00 O ATOM 39 CB GLU A 3 51.364 9.435 -8.378 1.00 1.00 C ATOM 40 CG GLU A 3 50.380 10.593 -8.199 1.00 1.00 C ATOM 41 CD GLU A 3 50.294 10.981 -6.727 1.00 1.00 C ATOM 42 OE1 GLU A 3 51.183 11.677 -6.265 1.00 1.00 O ATOM 43 OE2 GLU A 3 49.340 10.577 -6.082 1.00 1.00 O ATOM 0 H GLU A 3 51.742 6.329 -8.233 1.00 1.00 H new ATOM 0 HA GLU A 3 50.086 8.306 -7.064 1.00 1.00 H new ATOM 0 HB2 GLU A 3 52.261 9.611 -7.784 1.00 1.00 H new ATOM 0 HB3 GLU A 3 51.679 9.370 -9.419 1.00 1.00 H new ATOM 0 HG2 GLU A 3 50.702 11.450 -8.791 1.00 1.00 H new ATOM 0 HG3 GLU A 3 49.395 10.304 -8.566 1.00 1.00 H new ATOM 50 N GLY A 4 48.632 7.106 -8.706 1.00 1.00 N ATOM 51 CA GLY A 4 47.693 6.587 -9.693 1.00 1.00 C ATOM 52 C GLY A 4 46.530 5.872 -9.014 1.00 1.00 C ATOM 53 O GLY A 4 45.377 6.016 -9.423 1.00 1.00 O ATOM 0 H GLY A 4 48.312 7.041 -7.740 1.00 1.00 H new ATOM 0 HA2 GLY A 4 47.314 7.405 -10.306 1.00 1.00 H new ATOM 0 HA3 GLY A 4 48.207 5.898 -10.363 1.00 1.00 H new ATOM 57 N GLY A 5 46.839 5.102 -7.977 1.00 1.00 N ATOM 58 CA GLY A 5 45.811 4.368 -7.248 1.00 1.00 C ATOM 59 C GLY A 5 45.484 5.055 -5.927 1.00 1.00 C ATOM 60 O GLY A 5 45.121 4.401 -4.949 1.00 1.00 O ATOM 0 H GLY A 5 47.787 4.970 -7.624 1.00 1.00 H new ATOM 0 HA2 GLY A 5 44.910 4.295 -7.857 1.00 1.00 H new ATOM 0 HA3 GLY A 5 46.151 3.350 -7.058 1.00 1.00 H new ATOM 64 N ASP A 6 45.616 6.377 -5.905 1.00 1.00 N ATOM 65 CA ASP A 6 45.332 7.143 -4.697 1.00 1.00 C ATOM 66 C ASP A 6 46.119 6.588 -3.514 1.00 1.00 C ATOM 67 O ASP A 6 45.592 6.467 -2.407 1.00 1.00 O ATOM 68 CB ASP A 6 43.836 7.092 -4.385 1.00 1.00 C ATOM 69 CG ASP A 6 43.393 8.397 -3.732 1.00 1.00 C ATOM 70 OD1 ASP A 6 43.037 9.309 -4.459 1.00 1.00 O ATOM 71 OD2 ASP A 6 43.417 8.464 -2.514 1.00 1.00 O ATOM 0 H ASP A 6 45.915 6.937 -6.703 1.00 1.00 H new ATOM 0 HA ASP A 6 45.632 8.177 -4.867 1.00 1.00 H new ATOM 0 HB2 ASP A 6 43.271 6.925 -5.302 1.00 1.00 H new ATOM 0 HB3 ASP A 6 43.623 6.254 -3.722 1.00 1.00 H new ATOM 76 N PHE A 7 47.382 6.251 -3.755 1.00 1.00 N ATOM 77 CA PHE A 7 48.232 5.709 -2.702 1.00 1.00 C ATOM 78 C PHE A 7 47.522 4.575 -1.971 1.00 1.00 C ATOM 79 O PHE A 7 47.400 4.592 -0.746 1.00 1.00 O ATOM 80 CB PHE A 7 48.596 6.811 -1.705 1.00 1.00 C ATOM 81 CG PHE A 7 49.763 6.361 -0.860 1.00 1.00 C ATOM 82 CD1 PHE A 7 51.051 6.327 -1.406 1.00 1.00 C ATOM 83 CD2 PHE A 7 49.558 5.976 0.471 1.00 1.00 C ATOM 84 CE1 PHE A 7 52.134 5.910 -0.622 1.00 1.00 C ATOM 85 CE2 PHE A 7 50.639 5.558 1.254 1.00 1.00 C ATOM 86 CZ PHE A 7 51.927 5.525 0.708 1.00 1.00 C ATOM 0 H PHE A 7 47.837 6.343 -4.663 1.00 1.00 H new ATOM 0 HA PHE A 7 49.141 5.319 -3.160 1.00 1.00 H new ATOM 0 HB2 PHE A 7 48.851 7.728 -2.237 1.00 1.00 H new ATOM 0 HB3 PHE A 7 47.740 7.039 -1.070 1.00 1.00 H new ATOM 0 HD1 PHE A 7 51.210 6.622 -2.433 1.00 1.00 H new ATOM 0 HD2 PHE A 7 48.564 6.002 0.893 1.00 1.00 H new ATOM 0 HE1 PHE A 7 53.128 5.885 -1.043 1.00 1.00 H new ATOM 0 HE2 PHE A 7 50.480 5.261 2.280 1.00 1.00 H new ATOM 0 HZ PHE A 7 52.762 5.202 1.313 1.00 1.00 H new ATOM 96 N ASP A 8 47.056 3.588 -2.730 1.00 1.00 N ATOM 97 CA ASP A 8 46.360 2.449 -2.143 1.00 1.00 C ATOM 98 C ASP A 8 46.466 1.230 -3.054 1.00 1.00 C ATOM 99 O ASP A 8 45.458 0.616 -3.404 1.00 1.00 O ATOM 100 CB ASP A 8 44.887 2.795 -1.921 1.00 1.00 C ATOM 101 CG ASP A 8 44.160 1.609 -1.298 1.00 1.00 C ATOM 102 OD1 ASP A 8 44.832 0.739 -0.770 1.00 1.00 O ATOM 103 OD2 ASP A 8 42.942 1.588 -1.360 1.00 1.00 O ATOM 0 H ASP A 8 47.147 3.554 -3.745 1.00 1.00 H new ATOM 0 HA ASP A 8 46.826 2.216 -1.186 1.00 1.00 H new ATOM 0 HB2 ASP A 8 44.804 3.666 -1.270 1.00 1.00 H new ATOM 0 HB3 ASP A 8 44.420 3.060 -2.870 1.00 1.00 H new ATOM 108 N ASN A 9 47.692 0.884 -3.431 1.00 1.00 N ATOM 109 CA ASN A 9 47.922 -0.265 -4.298 1.00 1.00 C ATOM 110 C ASN A 9 47.006 -0.212 -5.516 1.00 1.00 C ATOM 111 O ASN A 9 46.186 0.696 -5.650 1.00 1.00 O ATOM 112 CB ASN A 9 47.670 -1.555 -3.519 1.00 1.00 C ATOM 113 CG ASN A 9 48.697 -2.612 -3.914 1.00 1.00 C ATOM 114 OD1 ASN A 9 48.359 -3.587 -4.586 1.00 1.00 O ATOM 115 ND2 ASN A 9 49.938 -2.476 -3.534 1.00 1.00 N ATOM 0 H ASN A 9 48.538 1.380 -3.151 1.00 1.00 H new ATOM 0 HA ASN A 9 48.956 -0.241 -4.641 1.00 1.00 H new ATOM 0 HB2 ASN A 9 47.730 -1.360 -2.448 1.00 1.00 H new ATOM 0 HB3 ASN A 9 46.663 -1.921 -3.721 1.00 1.00 H new ATOM 0 HD21 ASN A 9 50.631 -3.178 -3.794 1.00 1.00 H new ATOM 0 HD22 ASN A 9 50.215 -1.667 -2.977 1.00 1.00 H new ATOM 122 N TYR A 10 47.152 -1.191 -6.405 1.00 1.00 N ATOM 123 CA TYR A 10 46.330 -1.242 -7.608 1.00 1.00 C ATOM 124 C TYR A 10 44.863 -1.018 -7.258 1.00 1.00 C ATOM 125 O TYR A 10 44.131 -1.966 -6.975 1.00 1.00 O ATOM 126 CB TYR A 10 46.491 -2.600 -8.295 1.00 1.00 C ATOM 127 CG TYR A 10 46.068 -2.486 -9.740 1.00 1.00 C ATOM 128 CD1 TYR A 10 46.940 -1.927 -10.682 1.00 1.00 C ATOM 129 CD2 TYR A 10 44.805 -2.939 -10.137 1.00 1.00 C ATOM 130 CE1 TYR A 10 46.547 -1.822 -12.022 1.00 1.00 C ATOM 131 CE2 TYR A 10 44.412 -2.835 -11.477 1.00 1.00 C ATOM 132 CZ TYR A 10 45.284 -2.275 -12.419 1.00 1.00 C ATOM 133 OH TYR A 10 44.897 -2.171 -13.739 1.00 1.00 O ATOM 0 H TYR A 10 47.825 -1.952 -6.316 1.00 1.00 H new ATOM 0 HA TYR A 10 46.658 -0.453 -8.285 1.00 1.00 H new ATOM 0 HB2 TYR A 10 47.528 -2.930 -8.233 1.00 1.00 H new ATOM 0 HB3 TYR A 10 45.887 -3.351 -7.786 1.00 1.00 H new ATOM 0 HD1 TYR A 10 47.915 -1.577 -10.376 1.00 1.00 H new ATOM 0 HD2 TYR A 10 44.133 -3.369 -9.409 1.00 1.00 H new ATOM 0 HE1 TYR A 10 47.219 -1.391 -12.749 1.00 1.00 H new ATOM 0 HE2 TYR A 10 43.438 -3.186 -11.784 1.00 1.00 H new ATOM 0 HH TYR A 10 43.992 -2.533 -13.844 1.00 1.00 H new ATOM 143 N TYR A 11 44.443 0.243 -7.272 1.00 1.00 N ATOM 144 CA TYR A 11 43.062 0.577 -6.948 1.00 1.00 C ATOM 145 C TYR A 11 42.606 -0.205 -5.722 1.00 1.00 C ATOM 146 O TYR A 11 41.473 -0.684 -5.663 1.00 1.00 O ATOM 147 CB TYR A 11 42.151 0.254 -8.134 1.00 1.00 C ATOM 148 CG TYR A 11 42.337 1.295 -9.211 1.00 1.00 C ATOM 149 CD1 TYR A 11 43.467 1.256 -10.036 1.00 1.00 C ATOM 150 CD2 TYR A 11 41.379 2.302 -9.383 1.00 1.00 C ATOM 151 CE1 TYR A 11 43.640 2.222 -11.034 1.00 1.00 C ATOM 152 CE2 TYR A 11 41.552 3.268 -10.381 1.00 1.00 C ATOM 153 CZ TYR A 11 42.681 3.228 -11.207 1.00 1.00 C ATOM 154 OH TYR A 11 42.851 4.181 -12.191 1.00 1.00 O ATOM 0 H TYR A 11 45.033 1.043 -7.502 1.00 1.00 H new ATOM 0 HA TYR A 11 43.003 1.644 -6.732 1.00 1.00 H new ATOM 0 HB2 TYR A 11 42.384 -0.736 -8.526 1.00 1.00 H new ATOM 0 HB3 TYR A 11 41.110 0.232 -7.811 1.00 1.00 H new ATOM 0 HD1 TYR A 11 44.206 0.480 -9.902 1.00 1.00 H new ATOM 0 HD2 TYR A 11 40.507 2.333 -8.746 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.512 2.192 -11.670 1.00 1.00 H new ATOM 0 HE2 TYR A 11 40.814 4.045 -10.514 1.00 1.00 H new ATOM 0 HH TYR A 11 42.095 4.804 -12.177 1.00 1.00 H new ATOM 164 N GLY A 12 43.499 -0.331 -4.747 1.00 1.00 N ATOM 165 CA GLY A 12 43.184 -1.059 -3.523 1.00 1.00 C ATOM 166 C GLY A 12 42.473 -2.369 -3.841 1.00 1.00 C ATOM 167 O GLY A 12 41.430 -2.675 -3.263 1.00 1.00 O ATOM 0 H GLY A 12 44.441 0.059 -4.779 1.00 1.00 H new ATOM 0 HA2 GLY A 12 44.101 -1.262 -2.969 1.00 1.00 H new ATOM 0 HA3 GLY A 12 42.553 -0.444 -2.881 1.00 1.00 H new ATOM 171 N ALA A 13 43.045 -3.136 -4.766 1.00 1.00 N ATOM 172 CA ALA A 13 42.462 -4.415 -5.160 1.00 1.00 C ATOM 173 C ALA A 13 43.500 -5.528 -5.069 1.00 1.00 C ATOM 174 O ALA A 13 43.161 -6.687 -4.828 1.00 1.00 O ATOM 175 CB ALA A 13 41.934 -4.325 -6.594 1.00 1.00 C ATOM 0 H ALA A 13 43.908 -2.895 -5.254 1.00 1.00 H new ATOM 0 HA ALA A 13 41.640 -4.644 -4.481 1.00 1.00 H new ATOM 0 HB1 ALA A 13 41.500 -5.282 -6.883 1.00 1.00 H new ATOM 0 HB2 ALA A 13 41.171 -3.548 -6.653 1.00 1.00 H new ATOM 0 HB3 ALA A 13 42.754 -4.080 -7.269 1.00 1.00 H new ATOM 181 N ASP A 14 44.765 -5.170 -5.263 1.00 1.00 N ATOM 182 CA ASP A 14 45.844 -6.149 -5.200 1.00 1.00 C ATOM 183 C ASP A 14 46.377 -6.267 -3.775 1.00 1.00 C ATOM 184 O ASP A 14 46.881 -7.315 -3.376 1.00 1.00 O ATOM 185 CB ASP A 14 46.980 -5.735 -6.138 1.00 1.00 C ATOM 186 CG ASP A 14 46.746 -6.318 -7.529 1.00 1.00 C ATOM 187 OD1 ASP A 14 45.613 -6.662 -7.823 1.00 1.00 O ATOM 188 OD2 ASP A 14 47.704 -6.411 -8.278 1.00 1.00 O ATOM 0 H ASP A 14 45.067 -4.217 -5.464 1.00 1.00 H new ATOM 0 HA ASP A 14 45.450 -7.117 -5.511 1.00 1.00 H new ATOM 0 HB2 ASP A 14 47.038 -4.648 -6.195 1.00 1.00 H new ATOM 0 HB3 ASP A 14 47.934 -6.085 -5.744 1.00 1.00 H new ATOM 193 N ASN A 15 46.259 -5.184 -3.014 1.00 1.00 N ATOM 194 CA ASN A 15 46.732 -5.177 -1.635 1.00 1.00 C ATOM 195 C ASN A 15 46.121 -6.335 -0.853 1.00 1.00 C ATOM 196 O ASN A 15 46.682 -6.789 0.143 1.00 1.00 O ATOM 197 CB ASN A 15 46.363 -3.853 -0.963 1.00 1.00 C ATOM 198 CG ASN A 15 47.393 -3.506 0.107 1.00 1.00 C ATOM 199 OD1 ASN A 15 47.631 -4.295 1.021 1.00 1.00 O ATOM 200 ND2 ASN A 15 48.022 -2.364 0.048 1.00 1.00 N ATOM 0 H ASN A 15 45.843 -4.306 -3.326 1.00 1.00 H new ATOM 0 HA ASN A 15 47.816 -5.291 -1.642 1.00 1.00 H new ATOM 0 HB2 ASN A 15 46.318 -3.058 -1.707 1.00 1.00 H new ATOM 0 HB3 ASN A 15 45.372 -3.927 -0.515 1.00 1.00 H new ATOM 0 HD21 ASN A 15 48.712 -2.124 0.760 1.00 1.00 H new ATOM 0 HD22 ASN A 15 47.824 -1.711 -0.710 1.00 1.00 H new ATOM 207 N GLN A 16 44.966 -6.806 -1.313 1.00 1.00 N ATOM 208 CA GLN A 16 44.286 -7.913 -0.649 1.00 1.00 C ATOM 209 C GLN A 16 44.523 -9.218 -1.402 1.00 1.00 C ATOM 210 O GLN A 16 44.291 -10.303 -0.870 1.00 1.00 O ATOM 211 CB GLN A 16 42.784 -7.631 -0.570 1.00 1.00 C ATOM 212 CG GLN A 16 42.142 -7.902 -1.932 1.00 1.00 C ATOM 213 CD GLN A 16 41.714 -9.363 -2.025 1.00 1.00 C ATOM 214 OE1 GLN A 16 41.095 -9.889 -1.100 1.00 1.00 O ATOM 215 NE2 GLN A 16 42.010 -10.053 -3.092 1.00 1.00 N ATOM 0 H GLN A 16 44.485 -6.442 -2.136 1.00 1.00 H new ATOM 0 HA GLN A 16 44.690 -8.011 0.358 1.00 1.00 H new ATOM 0 HB2 GLN A 16 42.325 -8.260 0.192 1.00 1.00 H new ATOM 0 HB3 GLN A 16 42.612 -6.596 -0.275 1.00 1.00 H new ATOM 0 HG2 GLN A 16 41.278 -7.252 -2.072 1.00 1.00 H new ATOM 0 HG3 GLN A 16 42.848 -7.670 -2.729 1.00 1.00 H new ATOM 0 HE21 GLN A 16 42.523 -9.615 -3.857 1.00 1.00 H new ATOM 0 HE22 GLN A 16 41.728 -11.031 -3.161 1.00 1.00 H new ATOM 224 N SER A 17 44.984 -9.104 -2.642 1.00 1.00 N ATOM 225 CA SER A 17 45.249 -10.282 -3.459 1.00 1.00 C ATOM 226 C SER A 17 46.624 -10.858 -3.139 1.00 1.00 C ATOM 227 O SER A 17 46.807 -12.076 -3.113 1.00 1.00 O ATOM 228 CB SER A 17 45.180 -9.915 -4.942 1.00 1.00 C ATOM 229 OG SER A 17 45.044 -11.101 -5.713 1.00 1.00 O ATOM 0 H SER A 17 45.181 -8.215 -3.101 1.00 1.00 H new ATOM 0 HA SER A 17 44.492 -11.034 -3.235 1.00 1.00 H new ATOM 0 HB2 SER A 17 44.336 -9.250 -5.125 1.00 1.00 H new ATOM 0 HB3 SER A 17 46.080 -9.377 -5.238 1.00 1.00 H new ATOM 0 HG SER A 17 44.998 -10.869 -6.664 1.00 1.00 H new ATOM 235 N GLU A 18 47.589 -9.977 -2.897 1.00 1.00 N ATOM 236 CA GLU A 18 48.945 -10.410 -2.580 1.00 1.00 C ATOM 237 C GLU A 18 48.939 -11.347 -1.376 1.00 1.00 C ATOM 238 O GLU A 18 49.235 -12.534 -1.501 1.00 1.00 O ATOM 239 CB GLU A 18 49.824 -9.194 -2.279 1.00 1.00 C ATOM 240 CG GLU A 18 50.105 -8.434 -3.576 1.00 1.00 C ATOM 241 CD GLU A 18 50.989 -7.224 -3.291 1.00 1.00 C ATOM 242 OE1 GLU A 18 50.602 -6.415 -2.464 1.00 1.00 O ATOM 243 OE2 GLU A 18 52.040 -7.125 -3.904 1.00 1.00 O ATOM 0 H GLU A 18 47.459 -8.965 -2.914 1.00 1.00 H new ATOM 0 HA GLU A 18 49.347 -10.945 -3.441 1.00 1.00 H new ATOM 0 HB2 GLU A 18 49.326 -8.540 -1.563 1.00 1.00 H new ATOM 0 HB3 GLU A 18 50.761 -9.513 -1.822 1.00 1.00 H new ATOM 0 HG2 GLU A 18 50.595 -9.092 -4.294 1.00 1.00 H new ATOM 0 HG3 GLU A 18 49.167 -8.111 -4.028 1.00 1.00 H new ATOM 250 N CYS A 19 48.602 -10.804 -0.212 1.00 1.00 N ATOM 251 CA CYS A 19 48.562 -11.602 1.009 1.00 1.00 C ATOM 252 C CYS A 19 47.921 -12.960 0.740 1.00 1.00 C ATOM 253 O CYS A 19 48.243 -13.950 1.398 1.00 1.00 O ATOM 254 CB CYS A 19 47.766 -10.866 2.088 1.00 1.00 C ATOM 255 SG CYS A 19 48.505 -9.237 2.377 1.00 1.00 S ATOM 0 H CYS A 19 48.354 -9.822 -0.087 1.00 1.00 H new ATOM 0 HA CYS A 19 49.585 -11.756 1.354 1.00 1.00 H new ATOM 0 HB2 CYS A 19 46.727 -10.756 1.777 1.00 1.00 H new ATOM 0 HB3 CYS A 19 47.763 -11.445 3.012 1.00 1.00 H new ATOM 0 HG CYS A 19 47.828 -8.610 3.292 1.00 1.00 H new ATOM 261 N GLU A 20 47.013 -12.999 -0.229 1.00 1.00 N ATOM 262 CA GLU A 20 46.333 -14.242 -0.576 1.00 1.00 C ATOM 263 C GLU A 20 47.083 -14.971 -1.688 1.00 1.00 C ATOM 264 O GLU A 20 47.016 -16.194 -1.795 1.00 1.00 O ATOM 265 CB GLU A 20 44.904 -13.945 -1.032 1.00 1.00 C ATOM 266 CG GLU A 20 44.178 -13.145 0.050 1.00 1.00 C ATOM 267 CD GLU A 20 43.960 -14.015 1.283 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.149 -14.924 1.207 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.607 -13.761 2.286 1.00 1.00 O ATOM 0 H GLU A 20 46.732 -12.191 -0.785 1.00 1.00 H new ATOM 0 HA GLU A 20 46.307 -14.879 0.308 1.00 1.00 H new ATOM 0 HB2 GLU A 20 44.919 -13.383 -1.966 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.373 -14.876 -1.228 1.00 1.00 H new ATOM 0 HG2 GLU A 20 44.761 -12.263 0.315 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.220 -12.791 -0.329 1.00 1.00 H new ATOM 276 N TYR A 21 47.796 -14.209 -2.512 1.00 1.00 N ATOM 277 CA TYR A 21 48.554 -14.794 -3.612 1.00 1.00 C ATOM 278 C TYR A 21 49.432 -15.936 -3.110 1.00 1.00 C ATOM 279 O TYR A 21 49.711 -16.884 -3.843 1.00 1.00 O ATOM 280 CB TYR A 21 49.430 -13.724 -4.267 1.00 1.00 C ATOM 281 CG TYR A 21 50.202 -14.337 -5.412 1.00 1.00 C ATOM 282 CD1 TYR A 21 51.372 -15.062 -5.158 1.00 1.00 C ATOM 283 CD2 TYR A 21 49.748 -14.178 -6.727 1.00 1.00 C ATOM 284 CE1 TYR A 21 52.088 -15.630 -6.218 1.00 1.00 C ATOM 285 CE2 TYR A 21 50.464 -14.746 -7.787 1.00 1.00 C ATOM 286 CZ TYR A 21 51.635 -15.472 -7.533 1.00 1.00 C ATOM 287 OH TYR A 21 52.340 -16.030 -8.579 1.00 1.00 O ATOM 0 H TYR A 21 47.865 -13.194 -2.440 1.00 1.00 H new ATOM 0 HA TYR A 21 47.851 -15.188 -4.346 1.00 1.00 H new ATOM 0 HB2 TYR A 21 48.811 -12.904 -4.630 1.00 1.00 H new ATOM 0 HB3 TYR A 21 50.118 -13.304 -3.534 1.00 1.00 H new ATOM 0 HD1 TYR A 21 51.722 -15.183 -4.144 1.00 1.00 H new ATOM 0 HD2 TYR A 21 48.846 -13.617 -6.923 1.00 1.00 H new ATOM 0 HE1 TYR A 21 52.990 -16.190 -6.021 1.00 1.00 H new ATOM 0 HE2 TYR A 21 50.114 -14.625 -8.801 1.00 1.00 H new ATOM 0 HH TYR A 21 51.888 -15.826 -9.424 1.00 1.00 H new ATOM 297 N THR A 22 49.863 -15.837 -1.858 1.00 1.00 N ATOM 298 CA THR A 22 50.710 -16.868 -1.268 1.00 1.00 C ATOM 299 C THR A 22 49.864 -18.037 -0.774 1.00 1.00 C ATOM 300 O THR A 22 50.380 -19.129 -0.528 1.00 1.00 O ATOM 301 CB THR A 22 51.509 -16.284 -0.100 1.00 1.00 C ATOM 302 OG1 THR A 22 50.631 -15.576 0.764 1.00 1.00 O ATOM 303 CG2 THR A 22 52.577 -15.331 -0.637 1.00 1.00 C ATOM 0 H THR A 22 49.642 -15.060 -1.235 1.00 1.00 H new ATOM 0 HA THR A 22 51.398 -17.229 -2.033 1.00 1.00 H new ATOM 0 HB THR A 22 51.990 -17.091 0.452 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.140 -15.203 1.513 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.145 -14.916 0.195 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.250 -15.875 -1.300 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.098 -14.522 -1.189 1.00 1.00 H new ATOM 311 N ASP A 23 48.564 -17.803 -0.630 1.00 1.00 N ATOM 312 CA ASP A 23 47.657 -18.845 -0.164 1.00 1.00 C ATOM 313 C ASP A 23 46.940 -19.498 -1.342 1.00 1.00 C ATOM 314 O ASP A 23 46.971 -20.719 -1.500 1.00 1.00 O ATOM 315 CB ASP A 23 46.626 -18.250 0.797 1.00 1.00 C ATOM 316 CG ASP A 23 45.317 -19.026 0.701 1.00 1.00 C ATOM 317 OD1 ASP A 23 44.600 -18.825 -0.266 1.00 1.00 O ATOM 318 OD2 ASP A 23 45.049 -19.811 1.596 1.00 1.00 O ATOM 0 H ASP A 23 48.117 -16.908 -0.828 1.00 1.00 H new ATOM 0 HA ASP A 23 48.242 -19.603 0.356 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.005 -18.285 1.818 1.00 1.00 H new ATOM 0 HB3 ASP A 23 46.455 -17.201 0.556 1.00 1.00 H new ATOM 323 N TRP A 24 46.295 -18.678 -2.164 1.00 1.00 N ATOM 324 CA TRP A 24 45.573 -19.187 -3.325 1.00 1.00 C ATOM 325 C TRP A 24 46.407 -20.230 -4.061 1.00 1.00 C ATOM 326 O TRP A 24 45.894 -21.268 -4.480 1.00 1.00 O ATOM 327 CB TRP A 24 45.237 -18.038 -4.276 1.00 1.00 C ATOM 328 CG TRP A 24 45.402 -18.496 -5.690 1.00 1.00 C ATOM 329 CD1 TRP A 24 44.475 -19.181 -6.397 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.543 -18.316 -6.576 1.00 1.00 C ATOM 331 NE1 TRP A 24 44.974 -19.433 -7.663 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.246 -18.920 -7.821 1.00 1.00 C ATOM 333 CE3 TRP A 24 47.797 -17.695 -6.423 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.159 -18.908 -8.876 1.00 1.00 C ATOM 335 CZ3 TRP A 24 48.717 -17.681 -7.484 1.00 1.00 C ATOM 336 CH2 TRP A 24 48.399 -18.286 -8.708 1.00 1.00 C ATOM 0 H TRP A 24 46.257 -17.665 -2.050 1.00 1.00 H new ATOM 0 HA TRP A 24 44.651 -19.654 -2.979 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.214 -17.701 -4.109 1.00 1.00 H new ATOM 0 HB3 TRP A 24 45.889 -17.187 -4.080 1.00 1.00 H new ATOM 0 HD1 TRP A 24 43.504 -19.482 -6.033 1.00 1.00 H new ATOM 0 HE1 TRP A 24 44.465 -19.936 -8.390 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.053 -17.227 -5.484 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.909 -19.376 -9.816 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 49.676 -17.201 -7.356 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.111 -18.271 -9.520 1.00 1.00 H new ATOM 347 N LYS A 25 47.697 -19.947 -4.215 1.00 1.00 N ATOM 348 CA LYS A 25 48.594 -20.868 -4.904 1.00 1.00 C ATOM 349 C LYS A 25 48.427 -22.286 -4.365 1.00 1.00 C ATOM 350 O LYS A 25 48.595 -23.261 -5.097 1.00 1.00 O ATOM 351 CB LYS A 25 50.045 -20.419 -4.721 1.00 1.00 C ATOM 352 CG LYS A 25 50.939 -21.158 -5.717 1.00 1.00 C ATOM 353 CD LYS A 25 52.380 -20.661 -5.579 1.00 1.00 C ATOM 354 CE LYS A 25 53.268 -21.801 -5.078 1.00 1.00 C ATOM 355 NZ LYS A 25 53.368 -22.852 -6.129 1.00 1.00 N ATOM 0 H LYS A 25 48.142 -19.094 -3.875 1.00 1.00 H new ATOM 0 HA LYS A 25 48.343 -20.863 -5.965 1.00 1.00 H new ATOM 0 HB2 LYS A 25 50.125 -19.343 -4.874 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.373 -20.622 -3.702 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.895 -22.232 -5.534 1.00 1.00 H new ATOM 0 HG3 LYS A 25 50.582 -20.993 -6.734 1.00 1.00 H new ATOM 0 HD2 LYS A 25 52.744 -20.298 -6.540 1.00 1.00 H new ATOM 0 HD3 LYS A 25 52.421 -19.822 -4.885 1.00 1.00 H new ATOM 0 HE2 LYS A 25 54.260 -21.422 -4.832 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.853 -22.225 -4.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 54.250 -23.388 -6.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 52.556 -23.498 -6.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 53.367 -22.405 -7.068 1.00 1.00 H new ATOM 369 N SER A 26 48.095 -22.391 -3.082 1.00 1.00 N ATOM 370 CA SER A 26 47.909 -23.696 -2.457 1.00 1.00 C ATOM 371 C SER A 26 46.424 -24.017 -2.315 1.00 1.00 C ATOM 372 O SER A 26 45.996 -25.141 -2.574 1.00 1.00 O ATOM 373 CB SER A 26 48.569 -23.711 -1.078 1.00 1.00 C ATOM 374 OG SER A 26 49.944 -24.047 -1.219 1.00 1.00 O ATOM 0 H SER A 26 47.950 -21.596 -2.460 1.00 1.00 H new ATOM 0 HA SER A 26 48.373 -24.451 -3.092 1.00 1.00 H new ATOM 0 HB2 SER A 26 48.468 -22.735 -0.603 1.00 1.00 H new ATOM 0 HB3 SER A 26 48.071 -24.433 -0.431 1.00 1.00 H new ATOM 0 HG SER A 26 50.371 -24.056 -0.337 1.00 1.00 H new ATOM 380 N SER A 27 45.645 -23.022 -1.904 1.00 1.00 N ATOM 381 CA SER A 27 44.210 -23.212 -1.732 1.00 1.00 C ATOM 382 C SER A 27 43.462 -22.827 -3.004 1.00 1.00 C ATOM 383 O SER A 27 42.316 -22.379 -2.948 1.00 1.00 O ATOM 384 CB SER A 27 43.708 -22.363 -0.565 1.00 1.00 C ATOM 385 OG SER A 27 44.794 -22.068 0.303 1.00 1.00 O ATOM 0 H SER A 27 45.980 -22.084 -1.686 1.00 1.00 H new ATOM 0 HA SER A 27 44.024 -24.265 -1.521 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.264 -21.440 -0.937 1.00 1.00 H new ATOM 0 HB3 SER A 27 42.928 -22.896 -0.022 1.00 1.00 H new ATOM 0 HG SER A 27 44.531 -21.360 0.928 1.00 1.00 H new ATOM 391 N GLY A 28 44.119 -23.005 -4.145 1.00 1.00 N ATOM 392 CA GLY A 28 43.513 -22.675 -5.431 1.00 1.00 C ATOM 393 C GLY A 28 43.635 -23.843 -6.403 1.00 1.00 C ATOM 394 O GLY A 28 43.624 -23.654 -7.619 1.00 1.00 O ATOM 0 H GLY A 28 45.068 -23.375 -4.206 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.462 -22.423 -5.289 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.998 -21.794 -5.851 1.00 1.00 H new ATOM 398 N ALA A 29 43.753 -25.050 -5.855 1.00 1.00 N ATOM 399 CA ALA A 29 43.879 -26.246 -6.682 1.00 1.00 C ATOM 400 C ALA A 29 42.960 -27.350 -6.170 1.00 1.00 C ATOM 401 O ALA A 29 43.133 -28.520 -6.512 1.00 1.00 O ATOM 402 CB ALA A 29 45.327 -26.737 -6.670 1.00 1.00 C ATOM 0 H ALA A 29 43.764 -25.225 -4.850 1.00 1.00 H new ATOM 0 HA ALA A 29 43.590 -25.993 -7.702 1.00 1.00 H new ATOM 0 HB1 ALA A 29 45.414 -27.630 -7.289 1.00 1.00 H new ATOM 0 HB2 ALA A 29 45.979 -25.957 -7.064 1.00 1.00 H new ATOM 0 HB3 ALA A 29 45.622 -26.974 -5.648 1.00 1.00 H new ATOM 408 N LEU A 30 41.983 -26.974 -5.352 1.00 1.00 N ATOM 409 CA LEU A 30 41.045 -27.946 -4.804 1.00 1.00 C ATOM 410 C LEU A 30 39.665 -27.322 -4.616 1.00 1.00 C ATOM 411 O LEU A 30 38.645 -27.977 -4.822 1.00 1.00 O ATOM 412 CB LEU A 30 41.559 -28.473 -3.462 1.00 1.00 C ATOM 413 CG LEU A 30 42.126 -27.316 -2.639 1.00 1.00 C ATOM 414 CD1 LEU A 30 41.694 -27.468 -1.179 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.655 -27.335 -2.721 1.00 1.00 C ATOM 0 H LEU A 30 41.821 -26.012 -5.056 1.00 1.00 H new ATOM 0 HA LEU A 30 40.960 -28.773 -5.509 1.00 1.00 H new ATOM 0 HB2 LEU A 30 40.750 -28.958 -2.916 1.00 1.00 H new ATOM 0 HB3 LEU A 30 42.329 -29.227 -3.627 1.00 1.00 H new ATOM 0 HG LEU A 30 41.751 -26.372 -3.033 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.098 -26.643 -0.592 1.00 1.00 H new ATOM 0 HD12 LEU A 30 40.606 -27.457 -1.119 1.00 1.00 H new ATOM 0 HD13 LEU A 30 42.070 -28.412 -0.785 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.061 -26.511 -2.135 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.029 -28.280 -2.326 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.965 -27.228 -3.761 1.00 1.00 H new ATOM 427 N ILE A 31 39.641 -26.050 -4.226 1.00 1.00 N ATOM 428 CA ILE A 31 38.377 -25.353 -4.019 1.00 1.00 C ATOM 429 C ILE A 31 37.685 -25.037 -5.349 1.00 1.00 C ATOM 430 O ILE A 31 36.456 -25.071 -5.428 1.00 1.00 O ATOM 431 CB ILE A 31 38.612 -24.057 -3.241 1.00 1.00 C ATOM 432 CG1 ILE A 31 39.756 -24.258 -2.245 1.00 1.00 C ATOM 433 CG2 ILE A 31 37.339 -23.681 -2.482 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.757 -23.113 -1.232 1.00 1.00 C ATOM 0 H ILE A 31 40.473 -25.487 -4.049 1.00 1.00 H new ATOM 0 HA ILE A 31 37.726 -26.012 -3.445 1.00 1.00 H new ATOM 0 HB ILE A 31 38.872 -23.259 -3.937 1.00 1.00 H new ATOM 0 HG12 ILE A 31 39.641 -25.212 -1.731 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.709 -24.292 -2.772 1.00 1.00 H new ATOM 0 HG21 ILE A 31 37.505 -22.758 -1.927 1.00 1.00 H new ATOM 0 HG22 ILE A 31 36.523 -23.537 -3.190 1.00 1.00 H new ATOM 0 HG23 ILE A 31 37.080 -24.480 -1.787 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.572 -23.256 -0.522 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.892 -22.166 -1.754 1.00 1.00 H new ATOM 0 HD13 ILE A 31 38.808 -23.100 -0.697 1.00 1.00 H new ATOM 446 N PRO A 32 38.428 -24.727 -6.388 1.00 1.00 N ATOM 447 CA PRO A 32 37.833 -24.401 -7.719 1.00 1.00 C ATOM 448 C PRO A 32 37.010 -25.558 -8.277 1.00 1.00 C ATOM 449 O PRO A 32 36.063 -25.349 -9.036 1.00 1.00 O ATOM 450 CB PRO A 32 39.041 -24.111 -8.618 1.00 1.00 C ATOM 451 CG PRO A 32 40.187 -23.862 -7.693 1.00 1.00 C ATOM 452 CD PRO A 32 39.896 -24.653 -6.423 1.00 1.00 C ATOM 0 HA PRO A 32 37.143 -23.560 -7.654 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.248 -24.953 -9.279 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.856 -23.245 -9.254 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.126 -24.183 -8.143 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.285 -22.799 -7.474 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.346 -25.645 -6.457 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.293 -24.153 -5.540 1.00 1.00 H new ATOM 460 N ALA A 33 37.378 -26.777 -7.897 1.00 1.00 N ATOM 461 CA ALA A 33 36.666 -27.959 -8.368 1.00 1.00 C ATOM 462 C ALA A 33 35.190 -27.883 -7.994 1.00 1.00 C ATOM 463 O ALA A 33 34.328 -27.723 -8.859 1.00 1.00 O ATOM 464 CB ALA A 33 37.285 -29.219 -7.761 1.00 1.00 C ATOM 0 H ALA A 33 38.158 -26.972 -7.270 1.00 1.00 H new ATOM 0 HA ALA A 33 36.751 -28.000 -9.454 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.747 -30.097 -8.118 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.332 -29.289 -8.057 1.00 1.00 H new ATOM 0 HB3 ALA A 33 37.218 -29.170 -6.674 1.00 1.00 H new ATOM 470 N ILE A 34 34.904 -27.996 -6.701 1.00 1.00 N ATOM 471 CA ILE A 34 33.526 -27.935 -6.228 1.00 1.00 C ATOM 472 C ILE A 34 32.847 -26.676 -6.754 1.00 1.00 C ATOM 473 O ILE A 34 31.699 -26.715 -7.194 1.00 1.00 O ATOM 474 CB ILE A 34 33.499 -27.943 -4.697 1.00 1.00 C ATOM 475 CG1 ILE A 34 33.545 -29.393 -4.197 1.00 1.00 C ATOM 476 CG2 ILE A 34 32.223 -27.260 -4.190 1.00 1.00 C ATOM 477 CD1 ILE A 34 32.127 -29.966 -4.107 1.00 1.00 C ATOM 0 H ILE A 34 35.601 -28.129 -5.968 1.00 1.00 H new ATOM 0 HA ILE A 34 32.987 -28.807 -6.598 1.00 1.00 H new ATOM 0 HB ILE A 34 34.364 -27.398 -4.318 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.148 -30.000 -4.873 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.024 -29.433 -3.219 1.00 1.00 H new ATOM 0 HG21 ILE A 34 32.213 -27.271 -3.100 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.197 -26.229 -4.543 1.00 1.00 H new ATOM 0 HG23 ILE A 34 31.350 -27.794 -4.566 1.00 1.00 H new ATOM 0 HD11 ILE A 34 32.172 -30.995 -3.751 1.00 1.00 H new ATOM 0 HD12 ILE A 34 31.536 -29.368 -3.413 1.00 1.00 H new ATOM 0 HD13 ILE A 34 31.662 -29.943 -5.093 1.00 1.00 H new ATOM 489 N TYR A 35 33.568 -25.563 -6.706 1.00 1.00 N ATOM 490 CA TYR A 35 33.030 -24.297 -7.183 1.00 1.00 C ATOM 491 C TYR A 35 32.591 -24.421 -8.637 1.00 1.00 C ATOM 492 O TYR A 35 31.411 -24.280 -8.955 1.00 1.00 O ATOM 493 CB TYR A 35 34.090 -23.202 -7.059 1.00 1.00 C ATOM 494 CG TYR A 35 33.682 -22.231 -5.979 1.00 1.00 C ATOM 495 CD1 TYR A 35 32.848 -21.150 -6.290 1.00 1.00 C ATOM 496 CD2 TYR A 35 34.132 -22.413 -4.667 1.00 1.00 C ATOM 497 CE1 TYR A 35 32.465 -20.251 -5.287 1.00 1.00 C ATOM 498 CE2 TYR A 35 33.749 -21.515 -3.664 1.00 1.00 C ATOM 499 CZ TYR A 35 32.916 -20.434 -3.974 1.00 1.00 C ATOM 500 OH TYR A 35 32.538 -19.548 -2.985 1.00 1.00 O ATOM 0 H TYR A 35 34.520 -25.511 -6.344 1.00 1.00 H new ATOM 0 HA TYR A 35 32.165 -24.035 -6.574 1.00 1.00 H new ATOM 0 HB2 TYR A 35 35.058 -23.643 -6.821 1.00 1.00 H new ATOM 0 HB3 TYR A 35 34.203 -22.680 -8.009 1.00 1.00 H new ATOM 0 HD1 TYR A 35 32.500 -21.010 -7.303 1.00 1.00 H new ATOM 0 HD2 TYR A 35 34.775 -23.247 -4.428 1.00 1.00 H new ATOM 0 HE1 TYR A 35 31.822 -19.417 -5.526 1.00 1.00 H new ATOM 0 HE2 TYR A 35 34.096 -21.656 -2.651 1.00 1.00 H new ATOM 0 HH TYR A 35 32.937 -19.820 -2.132 1.00 1.00 H new ATOM 510 N MET A 36 33.552 -24.689 -9.514 1.00 1.00 N ATOM 511 CA MET A 36 33.256 -24.831 -10.934 1.00 1.00 C ATOM 512 C MET A 36 32.000 -25.670 -11.137 1.00 1.00 C ATOM 513 O MET A 36 31.030 -25.214 -11.744 1.00 1.00 O ATOM 514 CB MET A 36 34.437 -25.491 -11.648 1.00 1.00 C ATOM 515 CG MET A 36 35.395 -24.410 -12.158 1.00 1.00 C ATOM 516 SD MET A 36 35.633 -23.153 -10.877 1.00 1.00 S ATOM 517 CE MET A 36 35.081 -21.731 -11.853 1.00 1.00 C ATOM 0 H MET A 36 34.535 -24.811 -9.269 1.00 1.00 H new ATOM 0 HA MET A 36 33.087 -23.839 -11.354 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.959 -26.162 -10.966 1.00 1.00 H new ATOM 0 HB3 MET A 36 34.080 -26.097 -12.480 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.353 -24.856 -12.426 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.993 -23.951 -13.061 1.00 1.00 H new ATOM 0 HE1 MET A 36 35.128 -20.830 -11.242 1.00 1.00 H new ATOM 0 HE2 MET A 36 35.727 -21.614 -12.723 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.055 -21.892 -12.183 1.00 1.00 H new ATOM 527 N LEU A 37 32.020 -26.893 -10.621 1.00 1.00 N ATOM 528 CA LEU A 37 30.872 -27.782 -10.751 1.00 1.00 C ATOM 529 C LEU A 37 29.598 -27.057 -10.336 1.00 1.00 C ATOM 530 O LEU A 37 28.566 -27.166 -10.998 1.00 1.00 O ATOM 531 CB LEU A 37 31.076 -29.024 -9.873 1.00 1.00 C ATOM 532 CG LEU A 37 29.876 -29.972 -10.000 1.00 1.00 C ATOM 533 CD1 LEU A 37 29.727 -30.429 -11.453 1.00 1.00 C ATOM 534 CD2 LEU A 37 30.105 -31.195 -9.109 1.00 1.00 C ATOM 0 H LEU A 37 32.811 -27.289 -10.113 1.00 1.00 H new ATOM 0 HA LEU A 37 30.778 -28.090 -11.792 1.00 1.00 H new ATOM 0 HB2 LEU A 37 31.989 -29.541 -10.169 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.203 -28.725 -8.833 1.00 1.00 H new ATOM 0 HG LEU A 37 28.970 -29.451 -9.691 1.00 1.00 H new ATOM 0 HD11 LEU A 37 28.874 -31.102 -11.537 1.00 1.00 H new ATOM 0 HD12 LEU A 37 29.569 -29.561 -12.093 1.00 1.00 H new ATOM 0 HD13 LEU A 37 30.632 -30.950 -11.765 1.00 1.00 H new ATOM 0 HD21 LEU A 37 29.255 -31.872 -9.195 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.013 -31.710 -9.424 1.00 1.00 H new ATOM 0 HD23 LEU A 37 30.210 -30.875 -8.072 1.00 1.00 H new ATOM 546 N VAL A 38 29.676 -26.322 -9.233 1.00 1.00 N ATOM 547 CA VAL A 38 28.519 -25.589 -8.735 1.00 1.00 C ATOM 548 C VAL A 38 28.415 -24.221 -9.403 1.00 1.00 C ATOM 549 O VAL A 38 27.501 -23.448 -9.113 1.00 1.00 O ATOM 550 CB VAL A 38 28.624 -25.413 -7.220 1.00 1.00 C ATOM 551 CG1 VAL A 38 27.455 -24.562 -6.721 1.00 1.00 C ATOM 552 CG2 VAL A 38 28.579 -26.786 -6.544 1.00 1.00 C ATOM 0 H VAL A 38 30.521 -26.218 -8.671 1.00 1.00 H new ATOM 0 HA VAL A 38 27.623 -26.163 -8.973 1.00 1.00 H new ATOM 0 HB VAL A 38 29.563 -24.917 -6.977 1.00 1.00 H new ATOM 0 HG11 VAL A 38 27.531 -24.437 -5.641 1.00 1.00 H new ATOM 0 HG12 VAL A 38 27.485 -23.584 -7.202 1.00 1.00 H new ATOM 0 HG13 VAL A 38 26.515 -25.057 -6.964 1.00 1.00 H new ATOM 0 HG21 VAL A 38 28.654 -26.662 -5.464 1.00 1.00 H new ATOM 0 HG22 VAL A 38 27.639 -27.281 -6.788 1.00 1.00 H new ATOM 0 HG23 VAL A 38 29.412 -27.393 -6.898 1.00 1.00 H new ATOM 562 N PHE A 39 29.350 -23.926 -10.300 1.00 1.00 N ATOM 563 CA PHE A 39 29.340 -22.646 -10.999 1.00 1.00 C ATOM 564 C PHE A 39 28.709 -22.798 -12.378 1.00 1.00 C ATOM 565 O PHE A 39 28.072 -21.874 -12.884 1.00 1.00 O ATOM 566 CB PHE A 39 30.765 -22.113 -11.150 1.00 1.00 C ATOM 567 CG PHE A 39 30.722 -20.621 -11.391 1.00 1.00 C ATOM 568 CD1 PHE A 39 30.271 -19.764 -10.381 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.133 -20.099 -12.622 1.00 1.00 C ATOM 570 CE1 PHE A 39 30.231 -18.381 -10.603 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.093 -18.717 -12.845 1.00 1.00 C ATOM 572 CZ PHE A 39 30.642 -17.858 -11.835 1.00 1.00 C ATOM 0 H PHE A 39 30.116 -24.548 -10.558 1.00 1.00 H new ATOM 0 HA PHE A 39 28.752 -21.941 -10.411 1.00 1.00 H new ATOM 0 HB2 PHE A 39 31.343 -22.331 -10.252 1.00 1.00 H new ATOM 0 HB3 PHE A 39 31.265 -22.612 -11.980 1.00 1.00 H new ATOM 0 HD1 PHE A 39 29.954 -20.168 -9.431 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.481 -20.762 -13.400 1.00 1.00 H new ATOM 0 HE1 PHE A 39 29.883 -17.719 -9.824 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.410 -18.314 -13.795 1.00 1.00 H new ATOM 0 HZ PHE A 39 30.611 -16.792 -12.006 1.00 1.00 H new ATOM 582 N LEU A 40 28.890 -23.967 -12.983 1.00 1.00 N ATOM 583 CA LEU A 40 28.332 -24.221 -14.305 1.00 1.00 C ATOM 584 C LEU A 40 26.928 -24.806 -14.194 1.00 1.00 C ATOM 585 O LEU A 40 26.118 -24.663 -15.108 1.00 1.00 O ATOM 586 CB LEU A 40 29.232 -25.181 -15.090 1.00 1.00 C ATOM 587 CG LEU A 40 29.422 -26.485 -14.306 1.00 1.00 C ATOM 588 CD1 LEU A 40 28.520 -27.576 -14.890 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.882 -26.931 -14.414 1.00 1.00 C ATOM 0 H LEU A 40 29.413 -24.746 -12.584 1.00 1.00 H new ATOM 0 HA LEU A 40 28.276 -23.271 -14.837 1.00 1.00 H new ATOM 0 HB2 LEU A 40 28.789 -25.394 -16.063 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.200 -24.715 -15.276 1.00 1.00 H new ATOM 0 HG LEU A 40 29.161 -26.319 -13.261 1.00 1.00 H new ATOM 0 HD11 LEU A 40 28.658 -28.501 -14.330 1.00 1.00 H new ATOM 0 HD12 LEU A 40 27.478 -27.262 -14.821 1.00 1.00 H new ATOM 0 HD13 LEU A 40 28.780 -27.742 -15.935 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.021 -27.858 -13.858 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.136 -27.095 -15.461 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.530 -26.159 -14.000 1.00 1.00 H new ATOM 601 N LEU A 41 26.649 -25.463 -13.071 1.00 1.00 N ATOM 602 CA LEU A 41 25.337 -26.065 -12.853 1.00 1.00 C ATOM 603 C LEU A 41 24.536 -25.236 -11.854 1.00 1.00 C ATOM 604 O LEU A 41 23.307 -25.182 -11.922 1.00 1.00 O ATOM 605 CB LEU A 41 25.508 -27.520 -12.373 1.00 1.00 C ATOM 606 CG LEU A 41 25.342 -27.645 -10.845 1.00 1.00 C ATOM 607 CD1 LEU A 41 23.859 -27.587 -10.446 1.00 1.00 C ATOM 608 CD2 LEU A 41 25.913 -28.990 -10.390 1.00 1.00 C ATOM 0 H LEU A 41 27.308 -25.591 -12.303 1.00 1.00 H new ATOM 0 HA LEU A 41 24.781 -26.079 -13.790 1.00 1.00 H new ATOM 0 HB2 LEU A 41 24.775 -28.155 -12.871 1.00 1.00 H new ATOM 0 HB3 LEU A 41 26.494 -27.884 -12.662 1.00 1.00 H new ATOM 0 HG LEU A 41 25.870 -26.817 -10.372 1.00 1.00 H new ATOM 0 HD11 LEU A 41 23.770 -27.677 -9.363 1.00 1.00 H new ATOM 0 HD12 LEU A 41 23.433 -26.637 -10.767 1.00 1.00 H new ATOM 0 HD13 LEU A 41 23.321 -28.406 -10.924 1.00 1.00 H new ATOM 0 HD21 LEU A 41 25.800 -29.087 -9.310 1.00 1.00 H new ATOM 0 HD22 LEU A 41 25.376 -29.799 -10.885 1.00 1.00 H new ATOM 0 HD23 LEU A 41 26.970 -29.043 -10.650 1.00 1.00 H new ATOM 620 N GLY A 42 25.237 -24.588 -10.931 1.00 1.00 N ATOM 621 CA GLY A 42 24.576 -23.765 -9.925 1.00 1.00 C ATOM 622 C GLY A 42 24.406 -22.329 -10.412 1.00 1.00 C ATOM 623 O GLY A 42 23.864 -21.485 -9.696 1.00 1.00 O ATOM 0 H GLY A 42 26.254 -24.616 -10.858 1.00 1.00 H new ATOM 0 HA2 GLY A 42 23.600 -24.189 -9.688 1.00 1.00 H new ATOM 0 HA3 GLY A 42 25.159 -23.773 -9.004 1.00 1.00 H new ATOM 627 N THR A 43 24.871 -22.054 -11.629 1.00 1.00 N ATOM 628 CA THR A 43 24.760 -20.712 -12.194 1.00 1.00 C ATOM 629 C THR A 43 24.257 -20.768 -13.633 1.00 1.00 C ATOM 630 O THR A 43 24.400 -19.804 -14.385 1.00 1.00 O ATOM 631 CB THR A 43 26.120 -20.013 -12.155 1.00 1.00 C ATOM 632 OG1 THR A 43 26.950 -20.650 -11.195 1.00 1.00 O ATOM 633 CG2 THR A 43 25.929 -18.544 -11.773 1.00 1.00 C ATOM 0 H THR A 43 25.324 -22.736 -12.238 1.00 1.00 H new ATOM 0 HA THR A 43 24.044 -20.150 -11.595 1.00 1.00 H new ATOM 0 HB THR A 43 26.589 -20.073 -13.137 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.863 -20.718 -11.545 1.00 1.00 H new ATOM 0 HG21 THR A 43 26.898 -18.046 -11.745 1.00 1.00 H new ATOM 0 HG22 THR A 43 25.292 -18.056 -12.510 1.00 1.00 H new ATOM 0 HG23 THR A 43 25.461 -18.481 -10.791 1.00 1.00 H new ATOM 641 N THR A 44 23.667 -21.901 -14.008 1.00 1.00 N ATOM 642 CA THR A 44 23.142 -22.072 -15.359 1.00 1.00 C ATOM 643 C THR A 44 21.701 -22.566 -15.315 1.00 1.00 C ATOM 644 O THR A 44 20.844 -22.076 -16.050 1.00 1.00 O ATOM 645 CB THR A 44 24.003 -23.075 -16.131 1.00 1.00 C ATOM 646 OG1 THR A 44 25.359 -22.653 -16.101 1.00 1.00 O ATOM 647 CG2 THR A 44 23.523 -23.153 -17.580 1.00 1.00 C ATOM 0 H THR A 44 23.541 -22.709 -13.399 1.00 1.00 H new ATOM 0 HA THR A 44 23.168 -21.106 -15.863 1.00 1.00 H new ATOM 0 HB THR A 44 23.918 -24.059 -15.670 1.00 1.00 H new ATOM 0 HG1 THR A 44 25.945 -23.438 -16.080 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.137 -23.867 -18.129 1.00 1.00 H new ATOM 0 HG22 THR A 44 22.482 -23.477 -17.602 1.00 1.00 H new ATOM 0 HG23 THR A 44 23.607 -22.171 -18.045 1.00 1.00 H new ATOM 655 N GLY A 45 21.439 -23.539 -14.448 1.00 1.00 N ATOM 656 CA GLY A 45 20.097 -24.092 -14.316 1.00 1.00 C ATOM 657 C GLY A 45 19.411 -23.559 -13.063 1.00 1.00 C ATOM 658 O GLY A 45 18.258 -23.890 -12.787 1.00 1.00 O ATOM 0 H GLY A 45 22.134 -23.958 -13.830 1.00 1.00 H new ATOM 0 HA2 GLY A 45 19.506 -23.837 -15.196 1.00 1.00 H new ATOM 0 HA3 GLY A 45 20.150 -25.180 -14.272 1.00 1.00 H new ATOM 662 N ASN A 46 20.128 -22.734 -12.307 1.00 1.00 N ATOM 663 CA ASN A 46 19.579 -22.161 -11.085 1.00 1.00 C ATOM 664 C ASN A 46 19.083 -20.740 -11.332 1.00 1.00 C ATOM 665 O ASN A 46 17.967 -20.386 -10.950 1.00 1.00 O ATOM 666 CB ASN A 46 20.645 -22.146 -9.989 1.00 1.00 C ATOM 667 CG ASN A 46 20.644 -23.476 -9.243 1.00 1.00 C ATOM 668 OD1 ASN A 46 20.109 -23.570 -8.139 1.00 1.00 O ATOM 669 ND2 ASN A 46 21.217 -24.518 -9.785 1.00 1.00 N ATOM 0 H ASN A 46 21.084 -22.449 -12.518 1.00 1.00 H new ATOM 0 HA ASN A 46 18.738 -22.777 -10.766 1.00 1.00 H new ATOM 0 HB2 ASN A 46 21.627 -21.966 -10.427 1.00 1.00 H new ATOM 0 HB3 ASN A 46 20.452 -21.329 -9.293 1.00 1.00 H new ATOM 0 HD21 ASN A 46 21.221 -25.411 -9.293 1.00 1.00 H new ATOM 0 HD22 ASN A 46 21.660 -24.438 -10.700 1.00 1.00 H new ATOM 676 N GLY A 47 19.918 -19.931 -11.974 1.00 1.00 N ATOM 677 CA GLY A 47 19.554 -18.549 -12.268 1.00 1.00 C ATOM 678 C GLY A 47 18.427 -18.489 -13.292 1.00 1.00 C ATOM 679 O GLY A 47 17.416 -17.820 -13.079 1.00 1.00 O ATOM 0 H GLY A 47 20.845 -20.205 -12.299 1.00 1.00 H new ATOM 0 HA2 GLY A 47 19.245 -18.047 -11.351 1.00 1.00 H new ATOM 0 HA3 GLY A 47 20.424 -18.012 -12.647 1.00 1.00 H new ATOM 683 N LEU A 48 18.607 -19.192 -14.405 1.00 1.00 N ATOM 684 CA LEU A 48 17.598 -19.211 -15.459 1.00 1.00 C ATOM 685 C LEU A 48 16.230 -19.558 -14.876 1.00 1.00 C ATOM 686 O LEU A 48 15.241 -18.879 -15.146 1.00 1.00 O ATOM 687 CB LEU A 48 17.982 -20.240 -16.529 1.00 1.00 C ATOM 688 CG LEU A 48 17.004 -20.165 -17.710 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.107 -18.798 -18.397 1.00 1.00 C ATOM 690 CD2 LEU A 48 17.348 -21.263 -18.720 1.00 1.00 C ATOM 0 H LEU A 48 19.436 -19.753 -14.601 1.00 1.00 H new ATOM 0 HA LEU A 48 17.547 -18.221 -15.913 1.00 1.00 H new ATOM 0 HB2 LEU A 48 18.998 -20.053 -16.876 1.00 1.00 H new ATOM 0 HB3 LEU A 48 17.971 -21.242 -16.101 1.00 1.00 H new ATOM 0 HG LEU A 48 15.988 -20.302 -17.340 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.409 -18.757 -19.233 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.863 -18.012 -17.682 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.122 -18.651 -18.765 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.656 -21.214 -19.561 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.367 -21.120 -19.080 1.00 1.00 H new ATOM 0 HD23 LEU A 48 17.266 -22.238 -18.239 1.00 1.00 H new ATOM 702 N VAL A 49 16.184 -20.620 -14.080 1.00 1.00 N ATOM 703 CA VAL A 49 14.932 -21.048 -13.466 1.00 1.00 C ATOM 704 C VAL A 49 14.359 -19.941 -12.588 1.00 1.00 C ATOM 705 O VAL A 49 13.352 -19.322 -12.931 1.00 1.00 O ATOM 706 CB VAL A 49 15.166 -22.302 -12.622 1.00 1.00 C ATOM 707 CG1 VAL A 49 14.013 -22.473 -11.631 1.00 1.00 C ATOM 708 CG2 VAL A 49 15.237 -23.526 -13.537 1.00 1.00 C ATOM 0 H VAL A 49 16.992 -21.197 -13.846 1.00 1.00 H new ATOM 0 HA VAL A 49 14.219 -21.272 -14.259 1.00 1.00 H new ATOM 0 HB VAL A 49 16.103 -22.202 -12.075 1.00 1.00 H new ATOM 0 HG11 VAL A 49 14.180 -23.367 -11.030 1.00 1.00 H new ATOM 0 HG12 VAL A 49 13.961 -21.601 -10.979 1.00 1.00 H new ATOM 0 HG13 VAL A 49 13.075 -22.573 -12.178 1.00 1.00 H new ATOM 0 HG21 VAL A 49 15.404 -24.420 -12.936 1.00 1.00 H new ATOM 0 HG22 VAL A 49 14.300 -23.626 -14.084 1.00 1.00 H new ATOM 0 HG23 VAL A 49 16.058 -23.405 -14.243 1.00 1.00 H new ATOM 718 N LEU A 50 15.008 -19.696 -11.454 1.00 1.00 N ATOM 719 CA LEU A 50 14.553 -18.659 -10.534 1.00 1.00 C ATOM 720 C LEU A 50 14.126 -17.412 -11.302 1.00 1.00 C ATOM 721 O LEU A 50 13.233 -16.682 -10.871 1.00 1.00 O ATOM 722 CB LEU A 50 15.674 -18.301 -9.557 1.00 1.00 C ATOM 723 CG LEU A 50 15.715 -19.331 -8.427 1.00 1.00 C ATOM 724 CD1 LEU A 50 17.142 -19.439 -7.886 1.00 1.00 C ATOM 725 CD2 LEU A 50 14.776 -18.890 -7.302 1.00 1.00 C ATOM 0 H LEU A 50 15.844 -20.197 -11.152 1.00 1.00 H new ATOM 0 HA LEU A 50 13.696 -19.041 -9.979 1.00 1.00 H new ATOM 0 HB2 LEU A 50 16.631 -18.279 -10.078 1.00 1.00 H new ATOM 0 HB3 LEU A 50 15.510 -17.304 -9.149 1.00 1.00 H new ATOM 0 HG LEU A 50 15.397 -20.301 -8.808 1.00 1.00 H new ATOM 0 HD11 LEU A 50 17.171 -20.173 -7.081 1.00 1.00 H new ATOM 0 HD12 LEU A 50 17.812 -19.752 -8.687 1.00 1.00 H new ATOM 0 HD13 LEU A 50 17.461 -18.469 -7.505 1.00 1.00 H new ATOM 0 HD21 LEU A 50 14.804 -19.623 -6.496 1.00 1.00 H new ATOM 0 HD22 LEU A 50 15.095 -17.920 -6.921 1.00 1.00 H new ATOM 0 HD23 LEU A 50 13.759 -18.812 -7.686 1.00 1.00 H new ATOM 737 N TRP A 51 14.769 -17.174 -12.440 1.00 1.00 N ATOM 738 CA TRP A 51 14.445 -16.011 -13.259 1.00 1.00 C ATOM 739 C TRP A 51 13.156 -16.249 -14.039 1.00 1.00 C ATOM 740 O TRP A 51 12.242 -15.425 -14.012 1.00 1.00 O ATOM 741 CB TRP A 51 15.588 -15.724 -14.234 1.00 1.00 C ATOM 742 CG TRP A 51 15.178 -14.636 -15.173 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.361 -13.313 -14.956 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.522 -14.751 -16.469 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.858 -12.609 -16.037 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.331 -13.452 -16.995 1.00 1.00 C ATOM 747 CE3 TRP A 51 14.079 -15.847 -17.231 1.00 1.00 C ATOM 748 CZ2 TRP A 51 13.721 -13.246 -18.233 1.00 1.00 C ATOM 749 CZ3 TRP A 51 13.464 -15.643 -18.478 1.00 1.00 C ATOM 750 CH2 TRP A 51 13.286 -14.345 -18.977 1.00 1.00 C ATOM 0 H TRP A 51 15.511 -17.765 -12.814 1.00 1.00 H new ATOM 0 HA TRP A 51 14.306 -15.153 -12.601 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.483 -15.428 -13.686 1.00 1.00 H new ATOM 0 HB3 TRP A 51 15.840 -16.626 -14.792 1.00 1.00 H new ATOM 0 HD1 TRP A 51 15.824 -12.877 -14.083 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.875 -11.592 -16.116 1.00 1.00 H new ATOM 0 HE3 TRP A 51 14.212 -16.851 -16.856 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 13.586 -12.244 -18.613 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 13.127 -16.491 -19.055 1.00 1.00 H new ATOM 0 HH2 TRP A 51 12.813 -14.195 -19.936 1.00 1.00 H new ATOM 761 N THR A 52 13.090 -17.381 -14.732 1.00 1.00 N ATOM 762 CA THR A 52 11.907 -17.717 -15.515 1.00 1.00 C ATOM 763 C THR A 52 10.676 -17.794 -14.618 1.00 1.00 C ATOM 764 O THR A 52 9.620 -17.255 -14.949 1.00 1.00 O ATOM 765 CB THR A 52 12.111 -19.059 -16.221 1.00 1.00 C ATOM 766 OG1 THR A 52 13.072 -18.906 -17.257 1.00 1.00 O ATOM 767 CG2 THR A 52 10.785 -19.531 -16.819 1.00 1.00 C ATOM 0 H THR A 52 13.836 -18.076 -14.768 1.00 1.00 H new ATOM 0 HA THR A 52 11.753 -16.936 -16.259 1.00 1.00 H new ATOM 0 HB THR A 52 12.465 -19.797 -15.502 1.00 1.00 H new ATOM 0 HG1 THR A 52 13.970 -18.859 -16.866 1.00 1.00 H new ATOM 0 HG21 THR A 52 10.932 -20.487 -17.321 1.00 1.00 H new ATOM 0 HG22 THR A 52 10.049 -19.649 -16.024 1.00 1.00 H new ATOM 0 HG23 THR A 52 10.428 -18.794 -17.538 1.00 1.00 H new ATOM 775 N VAL A 53 10.820 -18.468 -13.481 1.00 1.00 N ATOM 776 CA VAL A 53 9.714 -18.610 -12.543 1.00 1.00 C ATOM 777 C VAL A 53 9.271 -17.246 -12.026 1.00 1.00 C ATOM 778 O VAL A 53 8.089 -16.909 -12.073 1.00 1.00 O ATOM 779 CB VAL A 53 10.136 -19.492 -11.367 1.00 1.00 C ATOM 780 CG1 VAL A 53 9.133 -19.334 -10.224 1.00 1.00 C ATOM 781 CG2 VAL A 53 10.170 -20.955 -11.816 1.00 1.00 C ATOM 0 H VAL A 53 11.686 -18.921 -13.189 1.00 1.00 H new ATOM 0 HA VAL A 53 8.878 -19.077 -13.064 1.00 1.00 H new ATOM 0 HB VAL A 53 11.126 -19.192 -11.024 1.00 1.00 H new ATOM 0 HG11 VAL A 53 9.434 -19.963 -9.386 1.00 1.00 H new ATOM 0 HG12 VAL A 53 9.106 -18.292 -9.905 1.00 1.00 H new ATOM 0 HG13 VAL A 53 8.142 -19.634 -10.565 1.00 1.00 H new ATOM 0 HG21 VAL A 53 10.471 -21.586 -10.979 1.00 1.00 H new ATOM 0 HG22 VAL A 53 9.179 -21.254 -12.158 1.00 1.00 H new ATOM 0 HG23 VAL A 53 10.885 -21.069 -12.631 1.00 1.00 H new ATOM 791 N PHE A 54 10.226 -16.464 -11.535 1.00 1.00 N ATOM 792 CA PHE A 54 9.918 -15.138 -11.013 1.00 1.00 C ATOM 793 C PHE A 54 9.079 -14.348 -12.013 1.00 1.00 C ATOM 794 O PHE A 54 8.550 -13.285 -11.688 1.00 1.00 O ATOM 795 CB PHE A 54 11.214 -14.380 -10.719 1.00 1.00 C ATOM 796 CG PHE A 54 11.621 -14.616 -9.284 1.00 1.00 C ATOM 797 CD1 PHE A 54 11.568 -15.907 -8.746 1.00 1.00 C ATOM 798 CD2 PHE A 54 12.051 -13.545 -8.493 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.945 -16.126 -7.416 1.00 1.00 C ATOM 800 CE2 PHE A 54 12.429 -13.764 -7.163 1.00 1.00 C ATOM 801 CZ PHE A 54 12.375 -15.055 -6.623 1.00 1.00 C ATOM 0 H PHE A 54 11.212 -16.722 -11.488 1.00 1.00 H new ATOM 0 HA PHE A 54 9.347 -15.254 -10.092 1.00 1.00 H new ATOM 0 HB2 PHE A 54 12.004 -14.714 -11.392 1.00 1.00 H new ATOM 0 HB3 PHE A 54 11.073 -13.314 -10.898 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.236 -16.734 -9.357 1.00 1.00 H new ATOM 0 HD2 PHE A 54 12.091 -12.549 -8.909 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.904 -17.122 -7.001 1.00 1.00 H new ATOM 0 HE2 PHE A 54 12.762 -12.937 -6.553 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.665 -15.224 -5.596 1.00 1.00 H new ATOM 811 N ARG A 55 8.964 -14.875 -13.230 1.00 1.00 N ATOM 812 CA ARG A 55 8.189 -14.211 -14.274 1.00 1.00 C ATOM 813 C ARG A 55 6.886 -14.961 -14.542 1.00 1.00 C ATOM 814 O ARG A 55 5.952 -14.408 -15.122 1.00 1.00 O ATOM 815 CB ARG A 55 9.009 -14.136 -15.563 1.00 1.00 C ATOM 816 CG ARG A 55 9.852 -12.859 -15.560 1.00 1.00 C ATOM 817 CD ARG A 55 11.082 -13.058 -16.446 1.00 1.00 C ATOM 818 NE ARG A 55 10.776 -13.982 -17.533 1.00 1.00 N ATOM 819 CZ ARG A 55 10.195 -13.559 -18.650 1.00 1.00 C ATOM 820 NH1 ARG A 55 9.888 -12.299 -18.790 1.00 1.00 N ATOM 821 NH2 ARG A 55 9.930 -14.405 -19.609 1.00 1.00 N ATOM 0 H ARG A 55 9.395 -15.754 -13.516 1.00 1.00 H new ATOM 0 HA ARG A 55 7.949 -13.204 -13.934 1.00 1.00 H new ATOM 0 HB2 ARG A 55 9.655 -15.010 -15.647 1.00 1.00 H new ATOM 0 HB3 ARG A 55 8.347 -14.145 -16.429 1.00 1.00 H new ATOM 0 HG2 ARG A 55 9.260 -12.019 -15.924 1.00 1.00 H new ATOM 0 HG3 ARG A 55 10.159 -12.615 -14.543 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.405 -12.100 -16.853 1.00 1.00 H new ATOM 0 HD3 ARG A 55 11.909 -13.446 -15.851 1.00 1.00 H new ATOM 0 HE ARG A 55 11.012 -14.969 -17.433 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.094 -11.638 -18.041 1.00 1.00 H new ATOM 0 HH12 ARG A 55 9.442 -11.975 -19.648 1.00 1.00 H new ATOM 0 HH21 ARG A 55 10.169 -15.391 -19.500 1.00 1.00 H new ATOM 0 HH22 ARG A 55 9.484 -14.080 -20.467 1.00 1.00 H new ATOM 835 N LYS A 56 6.831 -16.220 -14.118 1.00 1.00 N ATOM 836 CA LYS A 56 5.635 -17.032 -14.323 1.00 1.00 C ATOM 837 C LYS A 56 4.801 -17.083 -13.045 1.00 1.00 C ATOM 838 O LYS A 56 3.582 -17.249 -13.093 1.00 1.00 O ATOM 839 CB LYS A 56 6.034 -18.450 -14.769 1.00 1.00 C ATOM 840 CG LYS A 56 5.934 -19.444 -13.603 1.00 1.00 C ATOM 841 CD LYS A 56 6.580 -20.771 -14.011 1.00 1.00 C ATOM 842 CE LYS A 56 5.617 -21.920 -13.708 1.00 1.00 C ATOM 843 NZ LYS A 56 4.346 -21.715 -14.459 1.00 1.00 N ATOM 0 H LYS A 56 7.592 -16.697 -13.635 1.00 1.00 H new ATOM 0 HA LYS A 56 5.029 -16.578 -15.107 1.00 1.00 H new ATOM 0 HB2 LYS A 56 5.387 -18.774 -15.584 1.00 1.00 H new ATOM 0 HB3 LYS A 56 7.053 -18.440 -15.156 1.00 1.00 H new ATOM 0 HG2 LYS A 56 6.432 -19.040 -12.722 1.00 1.00 H new ATOM 0 HG3 LYS A 56 4.890 -19.602 -13.334 1.00 1.00 H new ATOM 0 HD2 LYS A 56 6.825 -20.758 -15.073 1.00 1.00 H new ATOM 0 HD3 LYS A 56 7.516 -20.914 -13.470 1.00 1.00 H new ATOM 0 HE2 LYS A 56 6.069 -22.871 -13.990 1.00 1.00 H new ATOM 0 HE3 LYS A 56 5.416 -21.967 -12.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 3.922 -22.638 -14.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 3.685 -21.162 -13.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 4.543 -21.202 -15.342 1.00 1.00 H new ATOM 857 N LYS A 57 5.468 -16.939 -11.906 1.00 1.00 N ATOM 858 CA LYS A 57 4.785 -16.970 -10.618 1.00 1.00 C ATOM 859 C LYS A 57 4.623 -15.556 -10.069 1.00 1.00 C ATOM 860 O LYS A 57 3.708 -15.283 -9.292 1.00 1.00 O ATOM 861 CB LYS A 57 5.585 -17.822 -9.630 1.00 1.00 C ATOM 862 CG LYS A 57 5.210 -17.440 -8.196 1.00 1.00 C ATOM 863 CD LYS A 57 5.614 -18.568 -7.245 1.00 1.00 C ATOM 864 CE LYS A 57 5.226 -18.193 -5.814 1.00 1.00 C ATOM 865 NZ LYS A 57 6.122 -17.107 -5.325 1.00 1.00 N ATOM 0 H LYS A 57 6.477 -16.800 -11.848 1.00 1.00 H new ATOM 0 HA LYS A 57 3.796 -17.407 -10.755 1.00 1.00 H new ATOM 0 HB2 LYS A 57 5.382 -18.879 -9.800 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.653 -17.673 -9.789 1.00 1.00 H new ATOM 0 HG2 LYS A 57 5.710 -16.514 -7.912 1.00 1.00 H new ATOM 0 HG3 LYS A 57 4.138 -17.257 -8.126 1.00 1.00 H new ATOM 0 HD2 LYS A 57 5.122 -19.496 -7.535 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.688 -18.744 -7.308 1.00 1.00 H new ATOM 0 HE2 LYS A 57 4.187 -17.864 -5.782 1.00 1.00 H new ATOM 0 HE3 LYS A 57 5.305 -19.065 -5.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 6.037 -17.025 -4.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 7.107 -17.331 -5.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 5.849 -16.206 -5.767 1.00 1.00 H new ATOM 879 N GLY A 58 5.516 -14.662 -10.480 1.00 1.00 N ATOM 880 CA GLY A 58 5.462 -13.278 -10.025 1.00 1.00 C ATOM 881 C GLY A 58 4.403 -12.495 -10.792 1.00 1.00 C ATOM 882 O GLY A 58 3.819 -11.545 -10.270 1.00 1.00 O ATOM 0 H GLY A 58 6.281 -14.869 -11.123 1.00 1.00 H new ATOM 0 HA2 GLY A 58 5.239 -13.250 -8.958 1.00 1.00 H new ATOM 0 HA3 GLY A 58 6.436 -12.808 -10.160 1.00 1.00 H new ATOM 886 N HIS A 59 4.161 -12.901 -12.034 1.00 1.00 N ATOM 887 CA HIS A 59 3.170 -12.230 -12.865 1.00 1.00 C ATOM 888 C HIS A 59 1.793 -12.287 -12.211 1.00 1.00 C ATOM 889 O HIS A 59 0.871 -11.583 -12.621 1.00 1.00 O ATOM 890 CB HIS A 59 3.110 -12.892 -14.244 1.00 1.00 C ATOM 891 CG HIS A 59 1.754 -13.512 -14.444 1.00 1.00 C ATOM 892 ND1 HIS A 59 0.690 -12.803 -14.979 1.00 1.00 N ATOM 893 CD2 HIS A 59 1.274 -14.772 -14.185 1.00 1.00 C ATOM 894 CE1 HIS A 59 -0.368 -13.634 -15.026 1.00 1.00 C ATOM 895 NE2 HIS A 59 -0.067 -14.846 -14.555 1.00 1.00 N ATOM 0 H HIS A 59 4.634 -13.685 -12.484 1.00 1.00 H new ATOM 0 HA HIS A 59 3.464 -11.186 -12.975 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.302 -12.154 -15.022 1.00 1.00 H new ATOM 0 HB3 HIS A 59 3.886 -13.653 -14.328 1.00 1.00 H new ATOM 0 HD2 HIS A 59 1.848 -15.582 -13.760 1.00 1.00 H new ATOM 0 HE1 HIS A 59 -1.342 -13.354 -15.399 1.00 1.00 H new ATOM 0 HE2 HIS A 59 -0.686 -15.653 -14.482 1.00 1.00 H new ATOM 903 N HIS A 60 1.663 -13.130 -11.192 1.00 1.00 N ATOM 904 CA HIS A 60 0.395 -13.271 -10.488 1.00 1.00 C ATOM 905 C HIS A 60 0.626 -13.392 -8.986 1.00 1.00 C ATOM 906 O HIS A 60 0.867 -14.484 -8.471 1.00 1.00 O ATOM 907 CB HIS A 60 -0.348 -14.509 -10.994 1.00 1.00 C ATOM 908 CG HIS A 60 -1.604 -14.705 -10.190 1.00 1.00 C ATOM 909 ND1 HIS A 60 -2.167 -15.957 -9.993 1.00 1.00 N ATOM 910 CD2 HIS A 60 -2.418 -13.819 -9.527 1.00 1.00 C ATOM 911 CE1 HIS A 60 -3.270 -15.791 -9.239 1.00 1.00 C ATOM 912 NE2 HIS A 60 -3.468 -14.507 -8.927 1.00 1.00 N ATOM 0 H HIS A 60 2.415 -13.722 -10.838 1.00 1.00 H new ATOM 0 HA HIS A 60 -0.207 -12.383 -10.680 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -0.594 -14.392 -12.049 1.00 1.00 H new ATOM 0 HB3 HIS A 60 0.290 -15.388 -10.911 1.00 1.00 H new ATOM 0 HD1 HIS A 60 -1.811 -16.842 -10.354 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -2.266 -12.751 -9.479 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -3.916 -16.597 -8.925 1.00 1.00 H new ATOM 920 N HIS A 61 0.551 -12.264 -8.287 1.00 1.00 N ATOM 921 CA HIS A 61 0.754 -12.257 -6.842 1.00 1.00 C ATOM 922 C HIS A 61 -0.569 -12.473 -6.114 1.00 1.00 C ATOM 923 O HIS A 61 -0.833 -11.847 -5.089 1.00 1.00 O ATOM 924 CB HIS A 61 1.365 -10.924 -6.408 1.00 1.00 C ATOM 925 CG HIS A 61 0.370 -9.819 -6.632 1.00 1.00 C ATOM 926 ND1 HIS A 61 -0.606 -9.503 -5.700 1.00 1.00 N ATOM 927 CD2 HIS A 61 0.187 -8.947 -7.675 1.00 1.00 C ATOM 928 CE1 HIS A 61 -1.326 -8.481 -6.196 1.00 1.00 C ATOM 929 NE2 HIS A 61 -0.884 -8.102 -7.398 1.00 1.00 N ATOM 0 H HIS A 61 0.353 -11.350 -8.693 1.00 1.00 H new ATOM 0 HA HIS A 61 1.434 -13.069 -6.585 1.00 1.00 H new ATOM 0 HB2 HIS A 61 1.647 -10.966 -5.356 1.00 1.00 H new ATOM 0 HB3 HIS A 61 2.276 -10.728 -6.974 1.00 1.00 H new ATOM 0 HD1 HIS A 61 -0.752 -9.962 -4.801 1.00 1.00 H new ATOM 0 HD2 HIS A 61 0.784 -8.920 -8.575 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -2.160 -8.023 -5.685 1.00 1.00 H new ATOM 937 N HIS A 62 -1.395 -13.366 -6.651 1.00 1.00 N ATOM 938 CA HIS A 62 -2.688 -13.657 -6.044 1.00 1.00 C ATOM 939 C HIS A 62 -3.632 -12.471 -6.200 1.00 1.00 C ATOM 940 O HIS A 62 -3.274 -11.334 -5.893 1.00 1.00 O ATOM 941 CB HIS A 62 -2.508 -13.976 -4.558 1.00 1.00 C ATOM 942 CG HIS A 62 -1.188 -14.664 -4.348 1.00 1.00 C ATOM 943 ND1 HIS A 62 -0.983 -15.992 -4.693 1.00 1.00 N ATOM 944 CD2 HIS A 62 0.005 -14.225 -3.829 1.00 1.00 C ATOM 945 CE1 HIS A 62 0.289 -16.301 -4.381 1.00 1.00 C ATOM 946 NE2 HIS A 62 0.936 -15.259 -3.852 1.00 1.00 N ATOM 0 H HIS A 62 -1.194 -13.897 -7.499 1.00 1.00 H new ATOM 0 HA HIS A 62 -3.120 -14.520 -6.551 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -2.549 -13.059 -3.971 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -3.321 -14.613 -4.211 1.00 1.00 H new ATOM 0 HD2 HIS A 62 0.192 -13.228 -3.459 1.00 1.00 H new ATOM 0 HE1 HIS A 62 0.733 -17.273 -4.539 1.00 1.00 H new ATOM 0 HE2 HIS A 62 1.904 -15.228 -3.533 1.00 1.00 H new ATOM 954 N HIS A 63 -4.842 -12.742 -6.680 1.00 1.00 N ATOM 955 CA HIS A 63 -5.829 -11.691 -6.873 1.00 1.00 C ATOM 956 C HIS A 63 -5.229 -10.545 -7.676 1.00 1.00 C ATOM 957 O HIS A 63 -5.212 -9.398 -7.227 1.00 1.00 O ATOM 958 CB HIS A 63 -6.310 -11.180 -5.516 1.00 1.00 C ATOM 959 CG HIS A 63 -7.682 -10.581 -5.661 1.00 1.00 C ATOM 960 ND1 HIS A 63 -7.891 -9.210 -5.689 1.00 1.00 N ATOM 961 CD2 HIS A 63 -8.924 -11.151 -5.786 1.00 1.00 C ATOM 962 CE1 HIS A 63 -9.213 -9.004 -5.826 1.00 1.00 C ATOM 963 NE2 HIS A 63 -9.890 -10.153 -5.892 1.00 1.00 N ATOM 0 H HIS A 63 -5.159 -13.676 -6.940 1.00 1.00 H new ATOM 0 HA HIS A 63 -6.676 -12.099 -7.425 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -6.333 -11.998 -4.795 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -5.615 -10.434 -5.130 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -9.122 -12.213 -5.800 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -9.671 -8.027 -5.877 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -10.897 -10.274 -5.997 1.00 1.00 H new ATOM 971 N HIS A 64 -4.733 -10.866 -8.865 1.00 1.00 N ATOM 972 CA HIS A 64 -4.125 -9.862 -9.727 1.00 1.00 C ATOM 973 C HIS A 64 -4.932 -8.568 -9.696 1.00 1.00 C ATOM 974 O HIS A 64 -6.141 -8.650 -9.563 1.00 1.00 O ATOM 975 CB HIS A 64 -4.046 -10.384 -11.163 1.00 1.00 C ATOM 976 CG HIS A 64 -4.865 -11.639 -11.286 1.00 1.00 C ATOM 977 ND1 HIS A 64 -4.285 -12.886 -11.460 1.00 1.00 N ATOM 978 CD2 HIS A 64 -6.220 -11.857 -11.263 1.00 1.00 C ATOM 979 CE1 HIS A 64 -5.279 -13.790 -11.535 1.00 1.00 C ATOM 980 NE2 HIS A 64 -6.479 -13.215 -11.420 1.00 1.00 N ATOM 981 OXT HIS A 64 -4.327 -7.514 -9.808 1.00 1.00 O ATOM 0 H HIS A 64 -4.740 -11.810 -9.252 1.00 1.00 H new ATOM 0 HA HIS A 64 -3.119 -9.657 -9.360 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -4.413 -9.628 -11.857 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -3.009 -10.586 -11.431 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -6.971 -11.091 -11.141 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -5.125 -14.850 -11.671 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -7.390 -13.673 -11.442 1.00 1.00 H new TER 989 HIS A 64