USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 491 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 49 THR OG1 : rot 95:sc= 1.32 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.04 K(o=2.4,f=-3.7) USER MOD Single : A 1 LYS N :NH3+ -158:sc= 1.28 (180deg=0.784) USER MOD Single : A 1 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.775) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00225 X(o=-0.0022,f=-0.27) USER MOD Single : A 10 THR OG1 : rot 46:sc= 0.101 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.17 K(o=0.17,f=-2.5!) USER MOD Single : A 24 TYR OH : rot 4:sc= 1.22 USER MOD Single : A 33 TYR OH : rot -5:sc= 1.1 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.0484 USER MOD Single : A 35 GLN : amide:sc= 0.826 K(o=0.83,f=-5.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 62 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.972 30.708 30.399 1.00 0.00 N ATOM 2 CA LYS A 1 12.921 31.452 31.256 1.00 0.00 C ATOM 3 C LYS A 1 13.942 32.205 30.397 1.00 0.00 C ATOM 4 O LYS A 1 14.391 31.674 29.386 1.00 0.00 O ATOM 5 CB LYS A 1 13.592 30.505 32.270 1.00 0.00 C ATOM 6 CG LYS A 1 14.019 31.256 33.537 1.00 0.00 C ATOM 7 CD LYS A 1 14.763 30.358 34.539 1.00 0.00 C ATOM 8 CE LYS A 1 15.002 31.162 35.824 1.00 0.00 C ATOM 9 NZ LYS A 1 15.910 30.480 36.776 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.098 30.520 30.931 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.749 31.274 29.556 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.401 29.807 30.107 1.00 0.00 H new ATOM 0 HA LYS A 1 12.372 32.198 31.831 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.901 29.704 32.535 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.463 30.036 31.812 1.00 0.00 H new ATOM 0 HG2 LYS A 1 14.661 32.092 33.259 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.137 31.677 34.019 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.178 29.464 34.754 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.712 30.025 34.118 1.00 0.00 H new ATOM 0 HE2 LYS A 1 15.421 32.134 35.565 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.046 31.347 36.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.288 31.173 37.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.385 29.745 37.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.696 30.042 36.254 1.00 0.00 H new ATOM 25 N GLU A 2 14.303 33.435 30.764 1.00 0.00 N ATOM 26 CA GLU A 2 15.415 34.191 30.152 1.00 0.00 C ATOM 27 C GLU A 2 16.771 33.878 30.827 1.00 0.00 C ATOM 28 O GLU A 2 16.795 33.238 31.881 1.00 0.00 O ATOM 29 CB GLU A 2 15.116 35.702 30.207 1.00 0.00 C ATOM 30 CG GLU A 2 13.920 36.151 29.349 1.00 0.00 C ATOM 31 CD GLU A 2 12.548 35.844 29.960 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.281 36.180 31.133 1.00 0.00 O ATOM 33 OE2 GLU A 2 11.679 35.266 29.263 1.00 0.00 O1- ATOM 0 H GLU A 2 13.828 33.949 31.506 1.00 0.00 H new ATOM 0 HA GLU A 2 15.497 33.878 29.111 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.929 35.984 31.243 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.003 36.246 29.883 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.995 37.225 29.177 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.986 35.667 28.375 1.00 0.00 H new ATOM 40 N GLY A 3 17.893 34.349 30.268 1.00 0.00 N ATOM 41 CA GLY A 3 19.234 34.193 30.850 1.00 0.00 C ATOM 42 C GLY A 3 20.346 34.937 30.091 1.00 0.00 C ATOM 43 O GLY A 3 20.088 35.563 29.069 1.00 0.00 O ATOM 0 H GLY A 3 17.895 34.858 29.384 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.213 34.548 31.880 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.481 33.132 30.884 1.00 0.00 H new ATOM 47 N TYR A 4 21.603 34.838 30.541 1.00 0.00 N ATOM 48 CA TYR A 4 22.757 35.508 29.903 1.00 0.00 C ATOM 49 C TYR A 4 23.806 34.481 29.460 1.00 0.00 C ATOM 50 O TYR A 4 24.168 33.613 30.258 1.00 0.00 O ATOM 51 CB TYR A 4 23.335 36.554 30.871 1.00 0.00 C ATOM 52 CG TYR A 4 24.460 37.418 30.318 1.00 0.00 C ATOM 53 CD1 TYR A 4 24.192 38.343 29.289 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.752 37.364 30.882 1.00 0.00 C ATOM 55 CE1 TYR A 4 25.193 39.237 28.861 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.756 38.257 30.451 1.00 0.00 C ATOM 57 CZ TYR A 4 26.471 39.215 29.453 1.00 0.00 C ATOM 58 OH TYR A 4 27.408 40.127 29.073 1.00 0.00 O ATOM 0 H TYR A 4 21.856 34.289 31.363 1.00 0.00 H new ATOM 0 HA TYR A 4 22.430 36.025 29.001 1.00 0.00 H new ATOM 0 HB2 TYR A 4 22.526 37.208 31.195 1.00 0.00 H new ATOM 0 HB3 TYR A 4 23.702 36.037 31.758 1.00 0.00 H new ATOM 0 HD1 TYR A 4 23.216 38.367 28.827 1.00 0.00 H new ATOM 0 HD2 TYR A 4 25.974 36.635 31.648 1.00 0.00 H new ATOM 0 HE1 TYR A 4 24.979 39.944 28.073 1.00 0.00 H new ATOM 0 HE2 TYR A 4 27.744 38.208 30.885 1.00 0.00 H new ATOM 0 HH TYR A 4 28.235 39.976 29.577 1.00 0.00 H new ATOM 68 N LEU A 5 24.271 34.540 28.203 1.00 0.00 N ATOM 69 CA LEU A 5 25.157 33.509 27.648 1.00 0.00 C ATOM 70 C LEU A 5 26.558 33.564 28.279 1.00 0.00 C ATOM 71 O LEU A 5 27.294 34.541 28.122 1.00 0.00 O ATOM 72 CB LEU A 5 25.202 33.594 26.107 1.00 0.00 C ATOM 73 CG LEU A 5 26.057 32.496 25.439 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.584 31.085 25.779 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.023 32.616 23.919 1.00 0.00 C ATOM 0 H LEU A 5 24.047 35.292 27.552 1.00 0.00 H new ATOM 0 HA LEU A 5 24.743 32.534 27.906 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.185 33.532 25.721 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.594 34.570 25.819 1.00 0.00 H new ATOM 0 HG LEU A 5 27.064 32.649 25.827 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.224 30.357 25.280 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.634 30.934 26.857 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.556 30.955 25.442 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.635 31.829 23.478 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.996 32.516 23.569 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.415 33.589 23.622 1.00 0.00 H new ATOM 87 N VAL A 6 26.924 32.480 28.959 1.00 0.00 N ATOM 88 CA VAL A 6 28.233 32.235 29.580 1.00 0.00 C ATOM 89 C VAL A 6 28.464 30.720 29.701 1.00 0.00 C ATOM 90 O VAL A 6 27.512 29.958 29.894 1.00 0.00 O ATOM 91 CB VAL A 6 28.331 32.975 30.936 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.400 32.412 32.018 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.763 32.963 31.474 1.00 0.00 C ATOM 0 H VAL A 6 26.281 31.701 29.102 1.00 0.00 H new ATOM 0 HA VAL A 6 29.030 32.636 28.954 1.00 0.00 H new ATOM 0 HB VAL A 6 28.013 33.995 30.720 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.526 32.982 32.939 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.365 32.487 31.683 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.647 31.366 32.202 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.798 33.491 32.427 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.089 31.933 31.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.424 33.457 30.761 1.00 0.00 H new ATOM 103 N ASP A 7 29.707 30.256 29.562 1.00 0.00 N ATOM 104 CA ASP A 7 30.053 28.847 29.794 1.00 0.00 C ATOM 105 C ASP A 7 30.168 28.581 31.300 1.00 0.00 C ATOM 106 O ASP A 7 31.097 29.042 31.961 1.00 0.00 O ATOM 107 CB ASP A 7 31.331 28.473 29.029 1.00 0.00 C ATOM 108 CG ASP A 7 31.924 27.098 29.387 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.053 26.822 28.917 1.00 0.00 O ATOM 110 OD2 ASP A 7 31.265 26.268 30.064 1.00 0.00 O1- ATOM 0 H ASP A 7 30.498 30.838 29.288 1.00 0.00 H new ATOM 0 HA ASP A 7 29.259 28.207 29.409 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.116 28.492 27.961 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.085 29.237 29.216 1.00 0.00 H new ATOM 115 N TYR A 8 29.225 27.812 31.840 1.00 0.00 N ATOM 116 CA TYR A 8 29.121 27.555 33.282 1.00 0.00 C ATOM 117 C TYR A 8 30.366 26.888 33.907 1.00 0.00 C ATOM 118 O TYR A 8 30.621 27.070 35.104 1.00 0.00 O ATOM 119 CB TYR A 8 27.838 26.755 33.566 1.00 0.00 C ATOM 120 CG TYR A 8 27.622 25.479 32.765 1.00 0.00 C ATOM 121 CD1 TYR A 8 28.379 24.323 33.040 1.00 0.00 C ATOM 122 CD2 TYR A 8 26.620 25.431 31.774 1.00 0.00 C ATOM 123 CE1 TYR A 8 28.153 23.138 32.312 1.00 0.00 C ATOM 124 CE2 TYR A 8 26.383 24.244 31.054 1.00 0.00 C ATOM 125 CZ TYR A 8 27.148 23.088 31.323 1.00 0.00 C ATOM 126 OH TYR A 8 26.922 21.929 30.646 1.00 0.00 O ATOM 0 H TYR A 8 28.505 27.345 31.289 1.00 0.00 H new ATOM 0 HA TYR A 8 29.067 28.527 33.773 1.00 0.00 H new ATOM 0 HB2 TYR A 8 27.830 26.495 34.624 1.00 0.00 H new ATOM 0 HB3 TYR A 8 26.985 27.411 33.392 1.00 0.00 H new ATOM 0 HD1 TYR A 8 29.135 24.345 33.811 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.030 26.311 31.566 1.00 0.00 H new ATOM 0 HE1 TYR A 8 28.753 22.262 32.512 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.615 24.218 30.295 1.00 0.00 H new ATOM 0 HH TYR A 8 26.196 22.063 30.001 1.00 0.00 H new ATOM 136 N HIS A 9 31.161 26.131 33.138 1.00 0.00 N ATOM 137 CA HIS A 9 32.367 25.461 33.648 1.00 0.00 C ATOM 138 C HIS A 9 33.551 26.429 33.760 1.00 0.00 C ATOM 139 O HIS A 9 34.216 26.483 34.798 1.00 0.00 O ATOM 140 CB HIS A 9 32.696 24.246 32.769 1.00 0.00 C ATOM 141 CG HIS A 9 33.838 23.429 33.316 1.00 0.00 C ATOM 142 ND1 HIS A 9 35.184 23.583 32.972 1.00 0.00 N ATOM 143 CD2 HIS A 9 33.742 22.524 34.332 1.00 0.00 C ATOM 144 CE1 HIS A 9 35.863 22.762 33.790 1.00 0.00 C ATOM 145 NE2 HIS A 9 35.024 22.113 34.617 1.00 0.00 N ATOM 0 H HIS A 9 30.987 25.966 32.147 1.00 0.00 H new ATOM 0 HA HIS A 9 32.168 25.108 34.660 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.812 23.615 32.682 1.00 0.00 H new ATOM 0 HB3 HIS A 9 32.946 24.586 31.764 1.00 0.00 H new ATOM 0 HD2 HIS A 9 32.836 22.194 34.818 1.00 0.00 H new ATOM 0 HE1 HIS A 9 36.936 22.640 33.784 1.00 0.00 H new ATOM 0 HE2 HIS A 9 35.291 21.435 35.331 1.00 0.00 H new ATOM 153 N THR A 10 33.751 27.259 32.736 1.00 0.00 N ATOM 154 CA THR A 10 34.793 28.298 32.638 1.00 0.00 C ATOM 155 C THR A 10 34.206 29.487 31.887 1.00 0.00 C ATOM 156 O THR A 10 34.060 29.434 30.669 1.00 0.00 O ATOM 157 CB THR A 10 36.051 27.777 31.921 1.00 0.00 C ATOM 158 OG1 THR A 10 35.722 27.009 30.776 1.00 0.00 O ATOM 159 CG2 THR A 10 36.889 26.896 32.846 1.00 0.00 C ATOM 0 H THR A 10 33.162 27.228 31.904 1.00 0.00 H new ATOM 0 HA THR A 10 35.101 28.593 33.641 1.00 0.00 H new ATOM 0 HB THR A 10 36.618 28.659 31.623 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.036 27.476 30.255 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.771 26.543 32.312 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.199 27.474 33.716 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.295 26.042 33.171 1.00 0.00 H new ATOM 167 N GLY A 11 33.875 30.549 32.624 1.00 0.00 N ATOM 168 CA GLY A 11 33.048 31.688 32.206 1.00 0.00 C ATOM 169 C GLY A 11 33.619 32.638 31.161 1.00 0.00 C ATOM 170 O GLY A 11 33.711 33.836 31.406 1.00 0.00 O ATOM 0 H GLY A 11 34.196 30.645 33.588 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.107 31.295 31.822 1.00 0.00 H new ATOM 0 HA3 GLY A 11 32.810 32.272 33.095 1.00 0.00 H new ATOM 174 N CYS A 12 33.968 32.133 29.982 1.00 0.00 N ATOM 175 CA CYS A 12 34.336 32.967 28.842 1.00 0.00 C ATOM 176 C CYS A 12 33.149 33.802 28.325 1.00 0.00 C ATOM 177 O CYS A 12 32.004 33.344 28.343 1.00 0.00 O ATOM 178 CB CYS A 12 34.921 32.080 27.737 1.00 0.00 C ATOM 179 SG CYS A 12 36.398 32.807 26.988 1.00 0.00 S ATOM 0 H CYS A 12 34.004 31.132 29.789 1.00 0.00 H new ATOM 0 HA CYS A 12 35.091 33.683 29.166 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.169 31.103 28.151 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.167 31.918 26.967 1.00 0.00 H new ATOM 0 HG CYS A 12 36.851 32.014 26.063 1.00 0.00 H new ATOM 184 N LYS A 13 33.433 35.027 27.861 1.00 0.00 N ATOM 185 CA LYS A 13 32.446 35.941 27.258 1.00 0.00 C ATOM 186 C LYS A 13 32.023 35.504 25.852 1.00 0.00 C ATOM 187 O LYS A 13 32.846 35.006 25.083 1.00 0.00 O ATOM 188 CB LYS A 13 32.970 37.392 27.293 1.00 0.00 C ATOM 189 CG LYS A 13 34.222 37.626 26.428 1.00 0.00 C ATOM 190 CD LYS A 13 34.971 38.915 26.793 1.00 0.00 C ATOM 191 CE LYS A 13 34.297 40.209 26.324 1.00 0.00 C ATOM 192 NZ LYS A 13 35.180 41.371 26.583 1.00 0.00 N1+ ATOM 0 H LYS A 13 34.373 35.420 27.894 1.00 0.00 H new ATOM 0 HA LYS A 13 31.538 35.898 27.860 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.178 38.062 26.957 1.00 0.00 H new ATOM 0 HB3 LYS A 13 33.198 37.660 28.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 34.897 36.777 26.538 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.929 37.667 25.379 1.00 0.00 H new ATOM 0 HD2 LYS A 13 35.088 38.956 27.876 1.00 0.00 H new ATOM 0 HD3 LYS A 13 35.973 38.869 26.366 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.072 40.145 25.259 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.348 40.342 26.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 34.711 42.242 26.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.374 41.439 27.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 36.075 41.248 26.068 1.00 0.00 H new ATOM 206 N TYR A 14 30.766 35.761 25.493 1.00 0.00 N ATOM 207 CA TYR A 14 30.183 35.481 24.175 1.00 0.00 C ATOM 208 C TYR A 14 29.576 36.779 23.611 1.00 0.00 C ATOM 209 O TYR A 14 28.426 37.146 23.871 1.00 0.00 O ATOM 210 CB TYR A 14 29.216 34.289 24.278 1.00 0.00 C ATOM 211 CG TYR A 14 29.918 32.975 24.606 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.646 32.310 23.599 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.898 32.443 25.911 1.00 0.00 C ATOM 214 CE1 TYR A 14 31.378 31.147 23.900 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.613 31.261 26.211 1.00 0.00 C ATOM 216 CZ TYR A 14 31.383 30.630 25.213 1.00 0.00 C ATOM 217 OH TYR A 14 32.139 29.536 25.507 1.00 0.00 O ATOM 0 H TYR A 14 30.097 36.186 26.135 1.00 0.00 H new ATOM 0 HA TYR A 14 30.938 35.169 23.453 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.472 34.498 25.046 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.679 34.182 23.335 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.642 32.696 22.590 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.334 32.941 26.686 1.00 0.00 H new ATOM 0 HE1 TYR A 14 31.938 30.648 23.123 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.569 30.841 27.205 1.00 0.00 H new ATOM 0 HH TYR A 14 32.426 29.579 26.443 1.00 0.00 H new ATOM 227 N THR A 15 30.429 37.516 22.900 1.00 0.00 N ATOM 228 CA THR A 15 30.221 38.898 22.436 1.00 0.00 C ATOM 229 C THR A 15 29.276 39.023 21.237 1.00 0.00 C ATOM 230 O THR A 15 28.982 38.041 20.553 1.00 0.00 O ATOM 231 CB THR A 15 31.581 39.533 22.078 1.00 0.00 C ATOM 232 OG1 THR A 15 32.198 38.839 21.015 1.00 0.00 O ATOM 233 CG2 THR A 15 32.560 39.508 23.250 1.00 0.00 C ATOM 0 H THR A 15 31.336 37.149 22.613 1.00 0.00 H new ATOM 0 HA THR A 15 29.742 39.424 23.262 1.00 0.00 H new ATOM 0 HB THR A 15 31.360 40.564 21.802 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.057 39.260 20.804 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.502 39.966 22.947 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.139 40.064 24.088 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.739 38.476 23.552 1.00 0.00 H new ATOM 241 N CYS A 16 28.832 40.252 20.963 1.00 0.00 N ATOM 242 CA CYS A 16 28.124 40.643 19.743 1.00 0.00 C ATOM 243 C CYS A 16 28.815 41.855 19.094 1.00 0.00 C ATOM 244 O CYS A 16 29.257 42.778 19.787 1.00 0.00 O ATOM 245 CB CYS A 16 26.651 40.945 20.054 1.00 0.00 C ATOM 246 SG CYS A 16 25.625 39.516 20.493 1.00 0.00 S ATOM 0 H CYS A 16 28.961 41.031 21.609 1.00 0.00 H new ATOM 0 HA CYS A 16 28.155 39.815 19.034 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.613 41.661 20.875 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.209 41.432 19.185 1.00 0.00 H new ATOM 251 N ALA A 17 28.868 41.870 17.760 1.00 0.00 N ATOM 252 CA ALA A 17 29.410 42.969 16.965 1.00 0.00 C ATOM 253 C ALA A 17 28.458 44.178 16.906 1.00 0.00 C ATOM 254 O ALA A 17 28.915 45.321 16.908 1.00 0.00 O ATOM 255 CB ALA A 17 29.688 42.432 15.554 1.00 0.00 C ATOM 0 H ALA A 17 28.525 41.097 17.190 1.00 0.00 H new ATOM 0 HA ALA A 17 30.326 43.329 17.433 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.095 43.231 14.934 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.407 41.615 15.611 1.00 0.00 H new ATOM 0 HB3 ALA A 17 28.760 42.068 15.114 1.00 0.00 H new ATOM 261 N LYS A 18 27.143 43.927 16.851 1.00 0.00 N ATOM 262 CA LYS A 18 26.084 44.941 16.701 1.00 0.00 C ATOM 263 C LYS A 18 24.761 44.496 17.338 1.00 0.00 C ATOM 264 O LYS A 18 24.601 43.335 17.725 1.00 0.00 O ATOM 265 CB LYS A 18 25.929 45.297 15.204 1.00 0.00 C ATOM 266 CG LYS A 18 25.399 44.148 14.325 1.00 0.00 C ATOM 267 CD LYS A 18 25.479 44.509 12.835 1.00 0.00 C ATOM 268 CE LYS A 18 24.755 43.453 11.993 1.00 0.00 C ATOM 269 NZ LYS A 18 25.036 43.619 10.549 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.771 42.979 16.912 1.00 0.00 H new ATOM 0 HA LYS A 18 26.377 45.840 17.243 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.253 46.148 15.114 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.897 45.616 14.818 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.978 43.244 14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.366 43.927 14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.031 45.488 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.522 44.578 12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.065 42.458 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.681 43.523 12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.530 42.887 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.718 44.559 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.058 43.527 10.381 1.00 0.00 H new ATOM 283 N LEU A 19 23.807 45.415 17.482 1.00 0.00 N ATOM 284 CA LEU A 19 22.422 45.095 17.857 1.00 0.00 C ATOM 285 C LEU A 19 21.642 44.496 16.671 1.00 0.00 C ATOM 286 O LEU A 19 21.987 44.707 15.508 1.00 0.00 O ATOM 287 CB LEU A 19 21.716 46.360 18.382 1.00 0.00 C ATOM 288 CG LEU A 19 22.253 46.870 19.732 1.00 0.00 C ATOM 289 CD1 LEU A 19 21.616 48.217 20.058 1.00 0.00 C ATOM 290 CD2 LEU A 19 21.918 45.916 20.880 1.00 0.00 C ATOM 0 H LEU A 19 23.971 46.412 17.341 1.00 0.00 H new ATOM 0 HA LEU A 19 22.448 44.345 18.647 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.817 47.153 17.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.651 46.152 18.483 1.00 0.00 H new ATOM 0 HG LEU A 19 23.336 46.949 19.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 21.996 48.578 21.014 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.862 48.935 19.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.534 48.103 20.118 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.316 46.315 21.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.836 45.811 20.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.363 44.940 20.684 1.00 0.00 H new ATOM 302 N GLY A 20 20.562 43.767 16.954 1.00 0.00 N ATOM 303 CA GLY A 20 19.601 43.265 15.962 1.00 0.00 C ATOM 304 C GLY A 20 20.046 42.064 15.124 1.00 0.00 C ATOM 305 O GLY A 20 19.244 41.563 14.335 1.00 0.00 O ATOM 0 H GLY A 20 20.321 43.499 17.908 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.683 42.995 16.483 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.354 44.081 15.283 1.00 0.00 H new ATOM 309 N ASP A 21 21.273 41.564 15.281 1.00 0.00 N ATOM 310 CA ASP A 21 21.719 40.286 14.699 1.00 0.00 C ATOM 311 C ASP A 21 21.423 39.123 15.664 1.00 0.00 C ATOM 312 O ASP A 21 22.310 38.386 16.101 1.00 0.00 O ATOM 313 CB ASP A 21 23.187 40.372 14.256 1.00 0.00 C ATOM 314 CG ASP A 21 23.624 39.189 13.378 1.00 0.00 C ATOM 315 OD1 ASP A 21 22.780 38.353 12.965 1.00 0.00 O ATOM 316 OD2 ASP A 21 24.834 39.137 13.058 1.00 0.00 O1- ATOM 0 H ASP A 21 21.997 42.037 15.821 1.00 0.00 H new ATOM 0 HA ASP A 21 21.150 40.078 13.793 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.340 41.301 13.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.824 40.416 15.139 1.00 0.00 H new ATOM 321 N ASN A 22 20.151 38.987 16.049 1.00 0.00 N ATOM 322 CA ASN A 22 19.685 37.958 16.974 1.00 0.00 C ATOM 323 C ASN A 22 19.943 36.541 16.429 1.00 0.00 C ATOM 324 O ASN A 22 20.287 35.656 17.205 1.00 0.00 O ATOM 325 CB ASN A 22 18.199 38.205 17.304 1.00 0.00 C ATOM 326 CG ASN A 22 17.280 38.173 16.093 1.00 0.00 C ATOM 327 OD1 ASN A 22 17.401 38.980 15.180 1.00 0.00 O ATOM 328 ND2 ASN A 22 16.359 37.243 16.029 1.00 0.00 N ATOM 0 H ASN A 22 19.406 39.601 15.719 1.00 0.00 H new ATOM 0 HA ASN A 22 20.256 38.024 17.900 1.00 0.00 H new ATOM 0 HB2 ASN A 22 17.867 37.452 18.019 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.103 39.174 17.794 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.742 37.191 15.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.259 36.571 16.790 1.00 0.00 H new ATOM 335 N ASP A 23 19.879 36.354 15.109 1.00 0.00 N ATOM 336 CA ASP A 23 20.186 35.114 14.387 1.00 0.00 C ATOM 337 C ASP A 23 21.556 34.500 14.755 1.00 0.00 C ATOM 338 O ASP A 23 21.655 33.285 14.930 1.00 0.00 O ATOM 339 CB ASP A 23 20.088 35.478 12.895 1.00 0.00 C ATOM 340 CG ASP A 23 20.682 34.450 11.945 1.00 0.00 C ATOM 341 OD1 ASP A 23 20.089 33.363 11.755 1.00 0.00 O ATOM 342 OD2 ASP A 23 21.750 34.750 11.362 1.00 0.00 O1- ATOM 0 H ASP A 23 19.596 37.104 14.479 1.00 0.00 H new ATOM 0 HA ASP A 23 19.482 34.329 14.662 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.038 35.623 12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.590 36.432 12.735 1.00 0.00 H new ATOM 347 N TYR A 24 22.598 35.322 14.938 1.00 0.00 N ATOM 348 CA TYR A 24 23.905 34.863 15.433 1.00 0.00 C ATOM 349 C TYR A 24 23.821 34.339 16.882 1.00 0.00 C ATOM 350 O TYR A 24 24.305 33.241 17.177 1.00 0.00 O ATOM 351 CB TYR A 24 24.937 35.999 15.276 1.00 0.00 C ATOM 352 CG TYR A 24 26.102 35.967 16.254 1.00 0.00 C ATOM 353 CD1 TYR A 24 26.015 36.708 17.447 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.249 35.192 15.995 1.00 0.00 C ATOM 355 CE1 TYR A 24 27.054 36.658 18.392 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.299 35.145 16.938 1.00 0.00 C ATOM 357 CZ TYR A 24 28.200 35.873 18.143 1.00 0.00 C ATOM 358 OH TYR A 24 29.219 35.871 19.041 1.00 0.00 O ATOM 0 H TYR A 24 22.560 36.323 14.748 1.00 0.00 H new ATOM 0 HA TYR A 24 24.233 34.014 14.833 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.336 35.966 14.262 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.421 36.953 15.385 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.145 37.319 17.638 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.326 34.633 15.074 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.975 37.221 19.310 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.179 34.551 16.737 1.00 0.00 H new ATOM 0 HH TYR A 24 28.969 36.410 19.820 1.00 0.00 H new ATOM 368 N CYS A 25 23.182 35.092 17.784 1.00 0.00 N ATOM 369 CA CYS A 25 23.074 34.750 19.208 1.00 0.00 C ATOM 370 C CYS A 25 22.151 33.544 19.470 1.00 0.00 C ATOM 371 O CYS A 25 22.459 32.728 20.339 1.00 0.00 O ATOM 372 CB CYS A 25 22.642 36.008 19.972 1.00 0.00 C ATOM 373 SG CYS A 25 22.112 35.786 21.695 1.00 0.00 S ATOM 0 H CYS A 25 22.719 35.968 17.543 1.00 0.00 H new ATOM 0 HA CYS A 25 24.048 34.424 19.572 1.00 0.00 H new ATOM 0 HB2 CYS A 25 23.474 36.713 19.962 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.823 36.473 19.423 1.00 0.00 H new ATOM 378 N VAL A 26 21.086 33.359 18.676 1.00 0.00 N ATOM 379 CA VAL A 26 20.238 32.151 18.707 1.00 0.00 C ATOM 380 C VAL A 26 21.099 30.899 18.516 1.00 0.00 C ATOM 381 O VAL A 26 21.035 29.986 19.344 1.00 0.00 O ATOM 382 CB VAL A 26 19.113 32.229 17.650 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.370 30.897 17.473 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.061 33.278 18.029 1.00 0.00 C ATOM 0 H VAL A 26 20.784 34.048 17.987 1.00 0.00 H new ATOM 0 HA VAL A 26 19.757 32.091 19.683 1.00 0.00 H new ATOM 0 HB VAL A 26 19.617 32.495 16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.592 31.012 16.719 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.073 30.128 17.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.917 30.604 18.420 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.284 33.307 17.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.616 33.016 18.989 1.00 0.00 H new ATOM 0 HG23 VAL A 26 18.534 34.257 18.103 1.00 0.00 H new ATOM 394 N ARG A 27 21.964 30.879 17.488 1.00 0.00 N ATOM 395 CA ARG A 27 22.930 29.793 17.272 1.00 0.00 C ATOM 396 C ARG A 27 23.926 29.667 18.423 1.00 0.00 C ATOM 397 O ARG A 27 24.105 28.568 18.937 1.00 0.00 O ATOM 398 CB ARG A 27 23.633 29.942 15.911 1.00 0.00 C ATOM 399 CG ARG A 27 22.807 29.304 14.782 1.00 0.00 C ATOM 400 CD ARG A 27 23.570 29.266 13.448 1.00 0.00 C ATOM 401 NE ARG A 27 23.884 30.610 12.936 1.00 0.00 N ATOM 402 CZ ARG A 27 23.049 31.499 12.439 1.00 0.00 C ATOM 403 NH1 ARG A 27 21.786 31.252 12.268 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 23.499 32.666 12.099 1.00 0.00 N ATOM 0 H ARG A 27 22.012 31.616 16.784 1.00 0.00 H new ATOM 0 HA ARG A 27 22.370 28.858 17.252 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.792 30.999 15.695 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.616 29.474 15.954 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.529 28.289 15.068 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.881 29.864 14.652 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.496 28.706 13.579 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.975 28.730 12.709 1.00 0.00 H new ATOM 0 HE ARG A 27 24.865 30.886 12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.406 30.340 12.522 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.174 31.970 11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.488 32.886 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.864 33.365 11.713 1.00 0.00 H new ATOM 418 N GLU A 28 24.560 30.750 18.875 1.00 0.00 N ATOM 419 CA GLU A 28 25.549 30.653 19.963 1.00 0.00 C ATOM 420 C GLU A 28 24.971 30.100 21.273 1.00 0.00 C ATOM 421 O GLU A 28 25.637 29.290 21.919 1.00 0.00 O ATOM 422 CB GLU A 28 26.191 32.011 20.270 1.00 0.00 C ATOM 423 CG GLU A 28 27.100 32.589 19.181 1.00 0.00 C ATOM 424 CD GLU A 28 28.115 31.571 18.639 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.793 30.881 19.445 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.211 31.435 17.395 1.00 0.00 O1- ATOM 0 H GLU A 28 24.414 31.693 18.515 1.00 0.00 H new ATOM 0 HA GLU A 28 26.295 29.952 19.589 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.396 32.729 20.470 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.772 31.916 21.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.485 32.953 18.358 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.636 33.449 19.582 1.00 0.00 H new ATOM 433 N CYS A 29 23.756 30.502 21.663 1.00 0.00 N ATOM 434 CA CYS A 29 23.115 30.021 22.889 1.00 0.00 C ATOM 435 C CYS A 29 22.736 28.532 22.776 1.00 0.00 C ATOM 436 O CYS A 29 23.092 27.715 23.633 1.00 0.00 O ATOM 437 CB CYS A 29 21.901 30.907 23.223 1.00 0.00 C ATOM 438 SG CYS A 29 21.148 30.527 24.830 1.00 0.00 S ATOM 0 H CYS A 29 23.191 31.169 21.137 1.00 0.00 H new ATOM 0 HA CYS A 29 23.824 30.095 23.713 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.210 31.952 23.214 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.150 30.790 22.442 1.00 0.00 H new ATOM 443 N ARG A 30 22.091 28.135 21.666 1.00 0.00 N ATOM 444 CA ARG A 30 21.656 26.742 21.447 1.00 0.00 C ATOM 445 C ARG A 30 22.805 25.765 21.175 1.00 0.00 C ATOM 446 O ARG A 30 22.675 24.581 21.486 1.00 0.00 O ATOM 447 CB ARG A 30 20.528 26.707 20.399 1.00 0.00 C ATOM 448 CG ARG A 30 20.996 26.798 18.941 1.00 0.00 C ATOM 449 CD ARG A 30 19.852 27.192 17.991 1.00 0.00 C ATOM 450 NE ARG A 30 18.825 26.138 17.908 1.00 0.00 N ATOM 451 CZ ARG A 30 18.388 25.517 16.828 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.676 25.897 15.618 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.637 24.471 16.963 1.00 0.00 N ATOM 0 H ARG A 30 21.857 28.765 20.899 1.00 0.00 H new ATOM 0 HA ARG A 30 21.244 26.367 22.384 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.962 25.784 20.527 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.842 27.531 20.597 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.800 27.530 18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.409 25.838 18.632 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.395 28.119 18.337 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.255 27.387 16.997 1.00 0.00 H new ATOM 0 HE ARG A 30 18.401 25.854 18.791 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.268 26.714 15.467 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.310 25.378 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.390 24.137 17.895 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.292 23.981 16.138 1.00 0.00 H new ATOM 467 N LEU A 31 23.958 26.257 20.703 1.00 0.00 N ATOM 468 CA LEU A 31 25.192 25.460 20.593 1.00 0.00 C ATOM 469 C LEU A 31 25.957 25.333 21.928 1.00 0.00 C ATOM 470 O LEU A 31 26.819 24.455 22.049 1.00 0.00 O ATOM 471 CB LEU A 31 26.095 26.060 19.495 1.00 0.00 C ATOM 472 CG LEU A 31 25.542 25.898 18.064 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.341 26.777 17.098 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.635 24.453 17.568 1.00 0.00 C ATOM 0 H LEU A 31 24.064 27.221 20.385 1.00 0.00 H new ATOM 0 HA LEU A 31 24.901 24.446 20.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 26.240 27.121 19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 31 27.076 25.588 19.549 1.00 0.00 H new ATOM 0 HG LEU A 31 24.493 26.193 18.095 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.947 26.659 16.089 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.257 27.821 17.401 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.389 26.478 17.116 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.234 24.389 16.557 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.678 24.136 17.566 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.060 23.804 18.228 1.00 0.00 H new ATOM 486 N ARG A 32 25.665 26.173 22.932 1.00 0.00 N ATOM 487 CA ARG A 32 26.302 26.127 24.265 1.00 0.00 C ATOM 488 C ARG A 32 25.546 25.261 25.274 1.00 0.00 C ATOM 489 O ARG A 32 26.189 24.636 26.117 1.00 0.00 O ATOM 490 CB ARG A 32 26.461 27.565 24.790 1.00 0.00 C ATOM 491 CG ARG A 32 27.513 27.749 25.901 1.00 0.00 C ATOM 492 CD ARG A 32 28.929 27.274 25.536 1.00 0.00 C ATOM 493 NE ARG A 32 29.432 27.859 24.278 1.00 0.00 N ATOM 494 CZ ARG A 32 30.521 27.498 23.624 1.00 0.00 C ATOM 495 NH1 ARG A 32 31.333 26.581 24.056 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.793 28.067 22.492 1.00 0.00 N ATOM 0 H ARG A 32 24.971 26.915 22.844 1.00 0.00 H new ATOM 0 HA ARG A 32 27.277 25.653 24.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.723 28.213 23.953 1.00 0.00 H new ATOM 0 HB3 ARG A 32 25.496 27.905 25.166 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.557 28.805 26.168 1.00 0.00 H new ATOM 0 HG3 ARG A 32 27.182 27.209 26.788 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.611 27.530 26.347 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.930 26.187 25.450 1.00 0.00 H new ATOM 0 HE ARG A 32 28.884 28.618 23.873 1.00 0.00 H new ATOM 0 HH11 ARG A 32 31.142 26.104 24.937 1.00 0.00 H new ATOM 0 HH12 ARG A 32 32.162 26.337 23.514 1.00 0.00 H new ATOM 0 HH21 ARG A 32 30.170 28.783 22.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.630 27.799 21.975 1.00 0.00 H new ATOM 510 N TYR A 33 24.214 25.221 25.190 1.00 0.00 N ATOM 511 CA TYR A 33 23.351 24.489 26.136 1.00 0.00 C ATOM 512 C TYR A 33 22.587 23.322 25.483 1.00 0.00 C ATOM 513 O TYR A 33 22.961 22.157 25.657 1.00 0.00 O ATOM 514 CB TYR A 33 22.421 25.472 26.876 1.00 0.00 C ATOM 515 CG TYR A 33 23.091 26.683 27.508 1.00 0.00 C ATOM 516 CD1 TYR A 33 24.330 26.569 28.170 1.00 0.00 C ATOM 517 CD2 TYR A 33 22.459 27.941 27.413 1.00 0.00 C ATOM 518 CE1 TYR A 33 24.970 27.715 28.684 1.00 0.00 C ATOM 519 CE2 TYR A 33 23.094 29.086 27.930 1.00 0.00 C ATOM 520 CZ TYR A 33 24.355 28.977 28.552 1.00 0.00 C ATOM 521 OH TYR A 33 24.978 30.089 29.014 1.00 0.00 O ATOM 0 H TYR A 33 23.693 25.700 24.456 1.00 0.00 H new ATOM 0 HA TYR A 33 23.999 24.015 26.874 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.667 25.826 26.173 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.896 24.924 27.658 1.00 0.00 H new ATOM 0 HD1 TYR A 33 24.791 25.599 28.284 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.490 28.025 26.944 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.927 27.627 29.177 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.614 30.050 27.850 1.00 0.00 H new ATOM 0 HH TYR A 33 25.799 29.833 29.485 1.00 0.00 H new ATOM 531 N TYR A 34 21.522 23.623 24.737 1.00 0.00 N ATOM 532 CA TYR A 34 20.614 22.655 24.111 1.00 0.00 C ATOM 533 C TYR A 34 19.858 23.293 22.938 1.00 0.00 C ATOM 534 O TYR A 34 19.618 24.502 22.922 1.00 0.00 O ATOM 535 CB TYR A 34 19.649 22.046 25.149 1.00 0.00 C ATOM 536 CG TYR A 34 18.504 22.899 25.674 1.00 0.00 C ATOM 537 CD1 TYR A 34 17.190 22.393 25.639 1.00 0.00 C ATOM 538 CD2 TYR A 34 18.748 24.150 26.276 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.129 23.139 26.186 1.00 0.00 C ATOM 540 CE2 TYR A 34 17.689 24.916 26.792 1.00 0.00 C ATOM 541 CZ TYR A 34 16.372 24.411 26.743 1.00 0.00 C ATOM 542 OH TYR A 34 15.340 25.145 27.228 1.00 0.00 O ATOM 0 H TYR A 34 21.256 24.589 24.543 1.00 0.00 H new ATOM 0 HA TYR A 34 21.213 21.838 23.709 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.216 21.147 24.710 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.243 21.728 26.006 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.996 21.430 25.191 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.759 24.524 26.341 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.127 22.736 26.179 1.00 0.00 H new ATOM 0 HE2 TYR A 34 17.882 25.887 27.224 1.00 0.00 H new ATOM 0 HH TYR A 34 14.639 24.545 27.560 1.00 0.00 H new ATOM 552 N GLN A 35 19.464 22.475 21.963 1.00 0.00 N ATOM 553 CA GLN A 35 18.950 22.917 20.665 1.00 0.00 C ATOM 554 C GLN A 35 17.654 23.735 20.718 1.00 0.00 C ATOM 555 O GLN A 35 17.433 24.551 19.824 1.00 0.00 O ATOM 556 CB GLN A 35 18.832 21.707 19.723 1.00 0.00 C ATOM 557 CG GLN A 35 17.636 20.749 19.914 1.00 0.00 C ATOM 558 CD GLN A 35 17.725 19.787 21.100 1.00 0.00 C ATOM 559 OE1 GLN A 35 18.616 19.823 21.941 1.00 0.00 O ATOM 560 NE2 GLN A 35 16.778 18.889 21.211 1.00 0.00 N ATOM 0 H GLN A 35 19.494 21.460 22.055 1.00 0.00 H new ATOM 0 HA GLN A 35 19.679 23.626 20.271 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.798 22.083 18.700 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.746 21.121 19.817 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.732 21.347 20.025 1.00 0.00 H new ATOM 0 HG3 GLN A 35 17.519 20.161 19.004 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.030 18.848 20.518 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.788 18.231 21.990 1.00 0.00 H new ATOM 569 N SER A 36 16.823 23.562 21.751 1.00 0.00 N ATOM 570 CA SER A 36 15.574 24.315 21.932 1.00 0.00 C ATOM 571 C SER A 36 15.785 25.771 22.385 1.00 0.00 C ATOM 572 O SER A 36 14.821 26.536 22.428 1.00 0.00 O ATOM 573 CB SER A 36 14.675 23.599 22.950 1.00 0.00 C ATOM 574 OG SER A 36 14.579 22.209 22.678 1.00 0.00 O ATOM 0 H SER A 36 17.000 22.887 22.495 1.00 0.00 H new ATOM 0 HA SER A 36 15.102 24.354 20.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.072 23.747 23.954 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.680 24.043 22.933 1.00 0.00 H new ATOM 0 HG SER A 36 14.001 21.784 23.346 1.00 0.00 H new ATOM 580 N ALA A 37 17.010 26.166 22.755 1.00 0.00 N ATOM 581 CA ALA A 37 17.284 27.530 23.224 1.00 0.00 C ATOM 582 C ALA A 37 17.155 28.614 22.126 1.00 0.00 C ATOM 583 O ALA A 37 17.267 28.346 20.925 1.00 0.00 O ATOM 584 CB ALA A 37 18.661 27.561 23.892 1.00 0.00 C ATOM 0 H ALA A 37 17.829 25.558 22.738 1.00 0.00 H new ATOM 0 HA ALA A 37 16.512 27.786 23.950 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.872 28.571 24.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.671 26.873 24.738 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.422 27.261 23.171 1.00 0.00 H new ATOM 590 N HIS A 38 16.959 29.864 22.558 1.00 0.00 N ATOM 591 CA HIS A 38 16.870 31.081 21.735 1.00 0.00 C ATOM 592 C HIS A 38 17.689 32.226 22.360 1.00 0.00 C ATOM 593 O HIS A 38 18.273 32.060 23.432 1.00 0.00 O ATOM 594 CB HIS A 38 15.390 31.478 21.604 1.00 0.00 C ATOM 595 CG HIS A 38 14.708 31.008 20.352 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.052 31.425 19.065 1.00 0.00 N ATOM 597 CD2 HIS A 38 13.537 30.313 20.292 1.00 0.00 C ATOM 598 CE1 HIS A 38 14.080 30.970 18.253 1.00 0.00 C ATOM 599 NE2 HIS A 38 13.164 30.288 18.964 1.00 0.00 N ATOM 0 H HIS A 38 16.851 30.069 23.551 1.00 0.00 H new ATOM 0 HA HIS A 38 17.286 30.885 20.747 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.848 31.084 22.463 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.317 32.564 21.652 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.006 29.869 21.121 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.041 31.129 17.186 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.335 29.830 18.586 1.00 0.00 H new ATOM 607 N GLY A 39 17.743 33.390 21.703 1.00 0.00 N ATOM 608 CA GLY A 39 18.362 34.598 22.253 1.00 0.00 C ATOM 609 C GLY A 39 18.344 35.816 21.321 1.00 0.00 C ATOM 610 O GLY A 39 17.782 35.762 20.224 1.00 0.00 O ATOM 0 H GLY A 39 17.355 33.520 20.768 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.851 34.860 23.179 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.396 34.373 22.512 1.00 0.00 H new ATOM 614 N TYR A 40 18.973 36.913 21.752 1.00 0.00 N ATOM 615 CA TYR A 40 19.272 38.105 20.948 1.00 0.00 C ATOM 616 C TYR A 40 20.515 38.862 21.458 1.00 0.00 C ATOM 617 O TYR A 40 20.970 38.677 22.587 1.00 0.00 O ATOM 618 CB TYR A 40 18.047 39.029 20.837 1.00 0.00 C ATOM 619 CG TYR A 40 17.539 39.641 22.130 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.092 40.848 22.602 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.483 39.032 22.839 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.615 41.430 23.792 1.00 0.00 C ATOM 623 CE2 TYR A 40 15.997 39.620 24.022 1.00 0.00 C ATOM 624 CZ TYR A 40 16.575 40.811 24.512 1.00 0.00 C ATOM 625 OH TYR A 40 16.128 41.365 25.666 1.00 0.00 O ATOM 0 H TYR A 40 19.303 37.000 22.713 1.00 0.00 H new ATOM 0 HA TYR A 40 19.513 37.756 19.944 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.292 39.839 20.150 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.233 38.463 20.385 1.00 0.00 H new ATOM 0 HD1 TYR A 40 18.885 41.329 22.049 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.047 38.114 22.474 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.047 42.352 24.153 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.180 39.159 24.556 1.00 0.00 H new ATOM 0 HH TYR A 40 15.408 40.813 26.036 1.00 0.00 H new ATOM 635 N CYS A 41 21.094 39.713 20.607 1.00 0.00 N ATOM 636 CA CYS A 41 22.265 40.530 20.951 1.00 0.00 C ATOM 637 C CYS A 41 21.865 41.812 21.694 1.00 0.00 C ATOM 638 O CYS A 41 20.972 42.534 21.243 1.00 0.00 O ATOM 639 CB CYS A 41 23.058 40.871 19.684 1.00 0.00 C ATOM 640 SG CYS A 41 24.135 39.544 19.097 1.00 0.00 S ATOM 0 H CYS A 41 20.763 39.857 19.653 1.00 0.00 H new ATOM 0 HA CYS A 41 22.895 39.946 21.622 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.357 41.131 18.891 1.00 0.00 H new ATOM 0 HB3 CYS A 41 23.664 41.756 19.877 1.00 0.00 H new ATOM 645 N TYR A 42 22.538 42.119 22.803 1.00 0.00 N ATOM 646 CA TYR A 42 22.301 43.325 23.600 1.00 0.00 C ATOM 647 C TYR A 42 23.549 43.729 24.390 1.00 0.00 C ATOM 648 O TYR A 42 24.237 42.855 24.918 1.00 0.00 O ATOM 649 CB TYR A 42 21.117 43.085 24.546 1.00 0.00 C ATOM 650 CG TYR A 42 20.513 44.372 25.057 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.776 44.836 26.360 1.00 0.00 C ATOM 652 CD2 TYR A 42 19.700 45.124 24.189 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.235 46.068 26.788 1.00 0.00 C ATOM 654 CE2 TYR A 42 19.163 46.349 24.612 1.00 0.00 C ATOM 655 CZ TYR A 42 19.436 46.832 25.912 1.00 0.00 C ATOM 656 OH TYR A 42 18.941 48.037 26.300 1.00 0.00 O ATOM 0 H TYR A 42 23.277 41.526 23.180 1.00 0.00 H new ATOM 0 HA TYR A 42 22.065 44.147 22.924 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.351 42.510 24.025 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.448 42.482 25.392 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.389 44.252 27.030 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.489 44.757 23.195 1.00 0.00 H new ATOM 0 HE1 TYR A 42 20.433 46.426 27.788 1.00 0.00 H new ATOM 0 HE2 TYR A 42 18.540 46.924 23.943 1.00 0.00 H new ATOM 0 HH TYR A 42 18.414 48.424 25.570 1.00 0.00 H new ATOM 666 N ALA A 43 23.854 45.027 24.501 1.00 0.00 N ATOM 667 CA ALA A 43 25.013 45.523 25.257 1.00 0.00 C ATOM 668 C ALA A 43 26.328 44.784 24.901 1.00 0.00 C ATOM 669 O ALA A 43 27.093 44.392 25.790 1.00 0.00 O ATOM 670 CB ALA A 43 24.660 45.531 26.754 1.00 0.00 C ATOM 0 H ALA A 43 23.302 45.767 24.068 1.00 0.00 H new ATOM 0 HA ALA A 43 25.228 46.551 24.966 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.512 45.897 27.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.803 46.183 26.922 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.415 44.519 27.075 1.00 0.00 H new ATOM 676 N PHE A 44 26.552 44.561 23.599 1.00 0.00 N ATOM 677 CA PHE A 44 27.689 43.851 22.991 1.00 0.00 C ATOM 678 C PHE A 44 27.875 42.390 23.449 1.00 0.00 C ATOM 679 O PHE A 44 28.991 41.866 23.425 1.00 0.00 O ATOM 680 CB PHE A 44 28.967 44.707 23.061 1.00 0.00 C ATOM 681 CG PHE A 44 28.779 46.106 22.504 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.644 47.202 23.376 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.670 46.302 21.113 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.383 48.483 22.863 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.413 47.585 20.601 1.00 0.00 C ATOM 686 CZ PHE A 44 28.263 48.674 21.477 1.00 0.00 C ATOM 0 H PHE A 44 25.898 44.895 22.891 1.00 0.00 H new ATOM 0 HA PHE A 44 27.441 43.724 21.937 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.294 44.777 24.099 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.763 44.207 22.509 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.741 47.058 24.442 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.784 45.465 20.440 1.00 0.00 H new ATOM 0 HE1 PHE A 44 28.275 49.322 23.535 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.331 47.734 19.535 1.00 0.00 H new ATOM 0 HZ PHE A 44 28.055 49.658 21.084 1.00 0.00 H new ATOM 696 N ALA A 45 26.796 41.711 23.847 1.00 0.00 N ATOM 697 CA ALA A 45 26.812 40.332 24.339 1.00 0.00 C ATOM 698 C ALA A 45 25.507 39.576 24.020 1.00 0.00 C ATOM 699 O ALA A 45 24.465 40.183 23.760 1.00 0.00 O ATOM 700 CB ALA A 45 27.088 40.385 25.846 1.00 0.00 C ATOM 0 H ALA A 45 25.861 42.118 23.835 1.00 0.00 H new ATOM 0 HA ALA A 45 27.595 39.770 23.830 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.107 39.372 26.248 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.051 40.864 26.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.302 40.957 26.340 1.00 0.00 H new ATOM 706 N CYS A 46 25.537 38.245 24.047 1.00 0.00 N ATOM 707 CA CYS A 46 24.362 37.413 23.772 1.00 0.00 C ATOM 708 C CYS A 46 23.504 37.164 25.035 1.00 0.00 C ATOM 709 O CYS A 46 23.992 36.660 26.053 1.00 0.00 O ATOM 710 CB CYS A 46 24.852 36.140 23.076 1.00 0.00 C ATOM 711 SG CYS A 46 23.619 34.863 22.706 1.00 0.00 S ATOM 0 H CYS A 46 26.378 37.709 24.261 1.00 0.00 H new ATOM 0 HA CYS A 46 23.673 37.929 23.104 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.328 36.430 22.139 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.625 35.691 23.700 1.00 0.00 H new ATOM 716 N TRP A 47 22.220 37.527 24.963 1.00 0.00 N ATOM 717 CA TRP A 47 21.173 37.258 25.961 1.00 0.00 C ATOM 718 C TRP A 47 20.304 36.090 25.477 1.00 0.00 C ATOM 719 O TRP A 47 19.862 36.088 24.330 1.00 0.00 O ATOM 720 CB TRP A 47 20.347 38.541 26.154 1.00 0.00 C ATOM 721 CG TRP A 47 19.142 38.466 27.049 1.00 0.00 C ATOM 722 CD1 TRP A 47 17.872 38.302 26.619 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.049 38.592 28.506 1.00 0.00 C ATOM 724 NE1 TRP A 47 16.999 38.361 27.689 1.00 0.00 N ATOM 725 CE2 TRP A 47 17.671 38.523 28.878 1.00 0.00 C ATOM 726 CE3 TRP A 47 19.976 38.811 29.546 1.00 0.00 C ATOM 727 CZ2 TRP A 47 17.241 38.649 30.209 1.00 0.00 C ATOM 728 CZ3 TRP A 47 19.560 38.919 30.889 1.00 0.00 C ATOM 729 CH2 TRP A 47 18.197 38.832 31.223 1.00 0.00 C ATOM 0 H TRP A 47 21.860 38.046 24.162 1.00 0.00 H new ATOM 0 HA TRP A 47 21.606 36.975 26.921 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.010 39.311 26.548 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.015 38.878 25.172 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.581 38.147 25.590 1.00 0.00 H new ATOM 0 HE1 TRP A 47 15.985 38.293 27.607 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.026 38.898 29.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 16.189 38.606 30.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.294 39.070 31.667 1.00 0.00 H new ATOM 0 HH2 TRP A 47 17.886 38.905 32.255 1.00 0.00 H new ATOM 740 N CYS A 48 20.075 35.085 26.321 1.00 0.00 N ATOM 741 CA CYS A 48 19.324 33.870 25.992 1.00 0.00 C ATOM 742 C CYS A 48 17.843 33.961 26.414 1.00 0.00 C ATOM 743 O CYS A 48 17.500 34.578 27.425 1.00 0.00 O ATOM 744 CB CYS A 48 19.980 32.665 26.675 1.00 0.00 C ATOM 745 SG CYS A 48 21.593 32.107 26.055 1.00 0.00 S ATOM 0 H CYS A 48 20.416 35.092 27.282 1.00 0.00 H new ATOM 0 HA CYS A 48 19.347 33.753 24.909 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.093 32.901 27.733 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.288 31.826 26.608 1.00 0.00 H new ATOM 750 N THR A 49 16.965 33.271 25.686 1.00 0.00 N ATOM 751 CA THR A 49 15.508 33.245 25.911 1.00 0.00 C ATOM 752 C THR A 49 14.926 31.838 25.713 1.00 0.00 C ATOM 753 O THR A 49 15.598 30.927 25.219 1.00 0.00 O ATOM 754 CB THR A 49 14.781 34.282 25.028 1.00 0.00 C ATOM 755 OG1 THR A 49 14.910 33.961 23.667 1.00 0.00 O ATOM 756 CG2 THR A 49 15.296 35.712 25.205 1.00 0.00 C ATOM 0 H THR A 49 17.252 32.693 24.896 1.00 0.00 H new ATOM 0 HA THR A 49 15.339 33.522 26.952 1.00 0.00 H new ATOM 0 HB THR A 49 13.741 34.242 25.353 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.131 33.442 23.378 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.737 36.383 24.553 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.164 36.021 26.242 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.354 35.752 24.947 1.00 0.00 H new ATOM 764 N HIS A 50 13.672 31.654 26.141 1.00 0.00 N ATOM 765 CA HIS A 50 12.856 30.430 26.047 1.00 0.00 C ATOM 766 C HIS A 50 13.385 29.204 26.812 1.00 0.00 C ATOM 767 O HIS A 50 12.819 28.114 26.681 1.00 0.00 O ATOM 768 CB HIS A 50 12.509 30.122 24.579 1.00 0.00 C ATOM 769 CG HIS A 50 11.904 31.289 23.844 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.609 32.324 23.226 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.570 31.534 23.728 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.684 33.159 22.740 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.454 32.711 23.026 1.00 0.00 N ATOM 0 H HIS A 50 13.160 32.410 26.596 1.00 0.00 H new ATOM 0 HA HIS A 50 11.936 30.658 26.585 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.414 29.806 24.059 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.813 29.283 24.547 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.764 30.926 24.111 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.898 34.066 22.194 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.579 33.166 22.767 1.00 0.00 H new ATOM 781 N LEU A 51 14.422 29.381 27.640 1.00 0.00 N ATOM 782 CA LEU A 51 15.092 28.339 28.424 1.00 0.00 C ATOM 783 C LEU A 51 14.138 27.639 29.408 1.00 0.00 C ATOM 784 O LEU A 51 13.118 28.215 29.804 1.00 0.00 O ATOM 785 CB LEU A 51 16.284 28.939 29.202 1.00 0.00 C ATOM 786 CG LEU A 51 17.295 29.778 28.396 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.349 30.341 29.352 1.00 0.00 C ATOM 788 CD2 LEU A 51 18.006 28.945 27.327 1.00 0.00 C ATOM 0 H LEU A 51 14.836 30.301 27.788 1.00 0.00 H new ATOM 0 HA LEU A 51 15.447 27.590 27.717 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.886 29.564 30.002 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.825 28.120 29.677 1.00 0.00 H new ATOM 0 HG LEU A 51 16.744 30.576 27.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.069 30.936 28.790 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.864 30.969 30.100 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.866 29.520 29.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.709 29.575 26.783 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.546 28.126 27.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.270 28.539 26.633 1.00 0.00 H new ATOM 800 N TYR A 52 14.499 26.424 29.835 1.00 0.00 N ATOM 801 CA TYR A 52 13.724 25.634 30.794 1.00 0.00 C ATOM 802 C TYR A 52 13.470 26.356 32.119 1.00 0.00 C ATOM 803 O TYR A 52 14.290 27.139 32.604 1.00 0.00 O ATOM 804 CB TYR A 52 14.325 24.230 31.024 1.00 0.00 C ATOM 805 CG TYR A 52 15.728 24.085 31.604 1.00 0.00 C ATOM 806 CD1 TYR A 52 15.892 23.454 32.853 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.872 24.433 30.854 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.179 23.234 33.387 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.161 24.216 31.384 1.00 0.00 C ATOM 810 CZ TYR A 52 18.319 23.624 32.656 1.00 0.00 C ATOM 811 OH TYR A 52 19.566 23.421 33.158 1.00 0.00 O ATOM 0 H TYR A 52 15.349 25.957 29.519 1.00 0.00 H new ATOM 0 HA TYR A 52 12.748 25.501 30.327 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.645 23.691 31.683 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.316 23.713 30.065 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.022 23.135 33.408 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.760 24.867 29.871 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.291 22.767 34.355 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.032 24.504 30.814 1.00 0.00 H new ATOM 0 HH TYR A 52 20.233 23.750 32.520 1.00 0.00 H new ATOM 821 N GLU A 53 12.331 26.056 32.746 1.00 0.00 N ATOM 822 CA GLU A 53 11.904 26.705 33.990 1.00 0.00 C ATOM 823 C GLU A 53 12.823 26.419 35.191 1.00 0.00 C ATOM 824 O GLU A 53 12.677 27.069 36.231 1.00 0.00 O ATOM 825 CB GLU A 53 10.435 26.364 34.292 1.00 0.00 C ATOM 826 CG GLU A 53 10.156 24.928 34.763 1.00 0.00 C ATOM 827 CD GLU A 53 8.675 24.783 35.131 1.00 0.00 C ATOM 828 OE1 GLU A 53 7.802 24.985 34.251 1.00 0.00 O ATOM 829 OE2 GLU A 53 8.364 24.559 36.328 1.00 0.00 O1- ATOM 0 H GLU A 53 11.675 25.353 32.405 1.00 0.00 H new ATOM 0 HA GLU A 53 11.989 27.780 33.828 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.074 27.052 35.056 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.848 26.550 33.393 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.416 24.220 33.976 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.780 24.690 35.625 1.00 0.00 H new ATOM 836 N GLN A 54 13.776 25.485 35.056 1.00 0.00 N ATOM 837 CA GLN A 54 14.788 25.201 36.083 1.00 0.00 C ATOM 838 C GLN A 54 16.198 25.739 35.751 1.00 0.00 C ATOM 839 O GLN A 54 17.126 25.461 36.512 1.00 0.00 O ATOM 840 CB GLN A 54 14.828 23.695 36.401 1.00 0.00 C ATOM 841 CG GLN A 54 13.476 23.066 36.780 1.00 0.00 C ATOM 842 CD GLN A 54 13.623 21.684 37.424 1.00 0.00 C ATOM 843 OE1 GLN A 54 14.710 21.164 37.653 1.00 0.00 O ATOM 844 NE2 GLN A 54 12.537 21.037 37.766 1.00 0.00 N ATOM 0 H GLN A 54 13.866 24.901 34.224 1.00 0.00 H new ATOM 0 HA GLN A 54 14.474 25.749 36.971 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.225 23.168 35.533 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.528 23.532 37.220 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.953 23.729 37.469 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.857 22.981 35.887 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.621 21.448 37.586 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.607 20.122 38.212 1.00 0.00 H new ATOM 853 N ALA A 55 16.380 26.471 34.641 1.00 0.00 N ATOM 854 CA ALA A 55 17.696 26.919 34.167 1.00 0.00 C ATOM 855 C ALA A 55 18.405 27.864 35.159 1.00 0.00 C ATOM 856 O ALA A 55 17.823 28.851 35.613 1.00 0.00 O ATOM 857 CB ALA A 55 17.541 27.572 32.787 1.00 0.00 C ATOM 0 H ALA A 55 15.610 26.771 34.043 1.00 0.00 H new ATOM 0 HA ALA A 55 18.339 26.042 34.087 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.516 27.906 32.431 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.128 26.847 32.086 1.00 0.00 H new ATOM 0 HB3 ALA A 55 16.870 28.427 32.863 1.00 0.00 H new ATOM 863 N VAL A 56 19.670 27.566 35.467 1.00 0.00 N ATOM 864 CA VAL A 56 20.476 28.180 36.536 1.00 0.00 C ATOM 865 C VAL A 56 21.980 28.101 36.196 1.00 0.00 C ATOM 866 O VAL A 56 22.817 27.514 36.892 1.00 0.00 O ATOM 867 CB VAL A 56 20.053 27.592 37.900 1.00 0.00 C ATOM 868 CG1 VAL A 56 20.232 26.075 37.997 1.00 0.00 C ATOM 869 CG2 VAL A 56 20.726 28.288 39.088 1.00 0.00 C ATOM 0 H VAL A 56 20.190 26.854 34.954 1.00 0.00 H new ATOM 0 HA VAL A 56 20.283 29.250 36.615 1.00 0.00 H new ATOM 0 HB VAL A 56 18.983 27.793 37.958 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.915 25.733 38.982 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.628 25.588 37.232 1.00 0.00 H new ATOM 0 HG13 VAL A 56 21.281 25.822 37.846 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.388 27.830 40.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 21.808 28.185 39.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.461 29.345 39.088 1.00 0.00 H new ATOM 879 N VAL A 57 22.324 28.702 35.054 1.00 0.00 N ATOM 880 CA VAL A 57 23.684 28.747 34.480 1.00 0.00 C ATOM 881 C VAL A 57 24.671 29.534 35.357 1.00 0.00 C ATOM 882 O VAL A 57 25.863 29.225 35.374 1.00 0.00 O ATOM 883 CB VAL A 57 23.617 29.385 33.069 1.00 0.00 C ATOM 884 CG1 VAL A 57 24.980 29.615 32.408 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.778 28.538 32.102 1.00 0.00 C ATOM 0 H VAL A 57 21.641 29.192 34.476 1.00 0.00 H new ATOM 0 HA VAL A 57 24.053 27.723 34.424 1.00 0.00 H new ATOM 0 HB VAL A 57 23.156 30.356 33.249 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.837 30.064 31.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.577 30.283 33.029 1.00 0.00 H new ATOM 0 HG13 VAL A 57 25.497 28.662 32.299 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.755 29.018 31.124 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.221 27.546 32.009 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.762 28.447 32.486 1.00 0.00 H new ATOM 895 N TRP A 58 24.178 30.534 36.093 1.00 0.00 N ATOM 896 CA TRP A 58 24.966 31.570 36.781 1.00 0.00 C ATOM 897 C TRP A 58 25.592 31.133 38.140 1.00 0.00 C ATOM 898 O TRP A 58 25.732 29.925 38.377 1.00 0.00 O ATOM 899 CB TRP A 58 24.176 32.895 36.687 1.00 0.00 C ATOM 900 CG TRP A 58 23.635 33.131 35.302 1.00 0.00 C ATOM 901 CD1 TRP A 58 24.344 33.600 34.251 1.00 0.00 C ATOM 902 CD2 TRP A 58 22.362 32.668 34.748 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.629 33.406 33.083 1.00 0.00 N ATOM 904 CE2 TRP A 58 22.420 32.792 33.328 1.00 0.00 C ATOM 905 CE3 TRP A 58 21.211 32.060 35.296 1.00 0.00 C ATOM 906 CZ2 TRP A 58 21.426 32.260 32.492 1.00 0.00 C ATOM 907 CZ3 TRP A 58 20.183 31.572 34.466 1.00 0.00 C ATOM 908 CH2 TRP A 58 20.296 31.654 33.068 1.00 0.00 C ATOM 0 H TRP A 58 23.175 30.652 36.234 1.00 0.00 H new ATOM 0 HA TRP A 58 25.914 31.756 36.276 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.352 32.877 37.400 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.824 33.725 36.969 1.00 0.00 H new ATOM 0 HD1 TRP A 58 25.321 34.057 34.314 1.00 0.00 H new ATOM 0 HE1 TRP A 58 23.955 33.683 32.157 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.118 31.968 36.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.528 32.316 31.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.301 31.131 34.908 1.00 0.00 H new ATOM 0 HH2 TRP A 58 19.517 31.252 32.437 1.00 0.00 H new ATOM 919 N PRO A 59 25.984 32.070 39.035 1.00 0.00 N ATOM 920 CA PRO A 59 26.911 31.786 40.141 1.00 0.00 C ATOM 921 C PRO A 59 28.035 30.786 39.819 1.00 0.00 C ATOM 922 O PRO A 59 28.073 29.662 40.328 1.00 0.00 O ATOM 923 CB PRO A 59 26.039 31.457 41.342 1.00 0.00 C ATOM 924 CG PRO A 59 25.002 32.566 41.204 1.00 0.00 C ATOM 925 CD PRO A 59 24.911 32.826 39.692 1.00 0.00 C ATOM 0 HA PRO A 59 27.525 32.659 40.363 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.600 30.461 41.282 1.00 0.00 H new ATOM 0 HB3 PRO A 59 26.585 31.508 42.284 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.039 32.261 41.612 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.307 33.463 41.743 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.938 32.516 39.310 1.00 0.00 H new ATOM 0 HD3 PRO A 59 25.012 33.891 39.482 1.00 0.00 H new ATOM 933 N LEU A 60 28.924 31.175 38.897 1.00 0.00 N ATOM 934 CA LEU A 60 29.977 30.309 38.356 1.00 0.00 C ATOM 935 C LEU A 60 31.075 29.992 39.400 1.00 0.00 C ATOM 936 O LEU A 60 31.677 30.922 39.943 1.00 0.00 O ATOM 937 CB LEU A 60 30.590 30.963 37.103 1.00 0.00 C ATOM 938 CG LEU A 60 29.873 30.572 35.802 1.00 0.00 C ATOM 939 CD1 LEU A 60 28.449 31.104 35.707 1.00 0.00 C ATOM 940 CD2 LEU A 60 30.654 31.089 34.600 1.00 0.00 C ATOM 0 H LEU A 60 28.932 32.115 38.500 1.00 0.00 H new ATOM 0 HA LEU A 60 29.520 29.357 38.086 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.559 32.047 37.215 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.640 30.680 37.030 1.00 0.00 H new ATOM 0 HG LEU A 60 29.822 29.483 35.807 1.00 0.00 H new ATOM 0 HD11 LEU A 60 28.005 30.789 34.763 1.00 0.00 H new ATOM 0 HD12 LEU A 60 27.858 30.712 36.535 1.00 0.00 H new ATOM 0 HD13 LEU A 60 28.463 32.193 35.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 30.138 30.807 33.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 30.729 32.175 34.655 1.00 0.00 H new ATOM 0 HD23 LEU A 60 31.654 30.655 34.602 1.00 0.00 H new ATOM 952 N PRO A 61 31.413 28.707 39.638 1.00 0.00 N ATOM 953 CA PRO A 61 32.346 28.300 40.693 1.00 0.00 C ATOM 954 C PRO A 61 33.821 28.655 40.430 1.00 0.00 C ATOM 955 O PRO A 61 34.610 28.623 41.376 1.00 0.00 O ATOM 956 CB PRO A 61 32.155 26.785 40.837 1.00 0.00 C ATOM 957 CG PRO A 61 31.700 26.348 39.448 1.00 0.00 C ATOM 958 CD PRO A 61 30.841 27.528 39.002 1.00 0.00 C ATOM 0 HA PRO A 61 32.120 28.850 41.607 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.081 26.290 41.130 1.00 0.00 H new ATOM 0 HB3 PRO A 61 31.411 26.545 41.597 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.543 26.182 38.777 1.00 0.00 H new ATOM 0 HG3 PRO A 61 31.130 25.419 39.480 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.849 27.628 37.917 1.00 0.00 H new ATOM 0 HD3 PRO A 61 29.802 27.389 39.301 1.00 0.00 H new ATOM 966 N ASN A 62 34.213 28.983 39.192 1.00 0.00 N ATOM 967 CA ASN A 62 35.569 29.430 38.851 1.00 0.00 C ATOM 968 C ASN A 62 35.620 30.710 37.998 1.00 0.00 C ATOM 969 O ASN A 62 36.612 31.435 38.074 1.00 0.00 O ATOM 970 CB ASN A 62 36.298 28.274 38.158 1.00 0.00 C ATOM 971 CG ASN A 62 36.857 27.263 39.143 1.00 0.00 C ATOM 972 OD1 ASN A 62 37.328 27.581 40.227 1.00 0.00 O ATOM 973 ND2 ASN A 62 36.823 26.000 38.808 1.00 0.00 N ATOM 0 H ASN A 62 33.587 28.945 38.387 1.00 0.00 H new ATOM 0 HA ASN A 62 36.067 29.703 39.781 1.00 0.00 H new ATOM 0 HB2 ASN A 62 35.610 27.771 37.478 1.00 0.00 H new ATOM 0 HB3 ASN A 62 37.111 28.673 37.552 1.00 0.00 H new ATOM 0 HD21 ASN A 62 37.186 25.293 39.447 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.433 25.722 37.908 1.00 0.00 H new ATOM 980 N LYS A 63 34.572 30.998 37.211 1.00 0.00 N ATOM 981 CA LYS A 63 34.275 32.254 36.495 1.00 0.00 C ATOM 982 C LYS A 63 35.224 32.727 35.377 1.00 0.00 C ATOM 983 O LYS A 63 34.771 33.360 34.427 1.00 0.00 O ATOM 984 CB LYS A 63 34.002 33.344 37.563 1.00 0.00 C ATOM 985 CG LYS A 63 33.512 34.687 37.007 1.00 0.00 C ATOM 986 CD LYS A 63 32.174 34.548 36.270 1.00 0.00 C ATOM 987 CE LYS A 63 32.083 35.460 35.052 1.00 0.00 C ATOM 988 NZ LYS A 63 32.123 36.893 35.422 1.00 0.00 N1+ ATOM 0 H LYS A 63 33.847 30.300 37.043 1.00 0.00 H new ATOM 0 HA LYS A 63 33.400 32.037 35.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.259 32.966 38.265 1.00 0.00 H new ATOM 0 HB3 LYS A 63 34.918 33.514 38.129 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.404 35.400 37.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 34.261 35.093 36.327 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.041 33.513 35.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.359 34.780 36.956 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.906 35.239 34.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.159 35.252 34.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.058 37.475 34.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.323 37.112 36.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 33.016 37.100 35.914 1.00 0.00 H new ATOM 1002 N ARG A 64 36.505 32.395 35.451 1.00 0.00 N ATOM 1003 CA ARG A 64 37.537 32.660 34.427 1.00 0.00 C ATOM 1004 C ARG A 64 37.358 31.790 33.172 1.00 0.00 C ATOM 1005 O ARG A 64 36.873 30.661 33.257 1.00 0.00 O ATOM 1006 CB ARG A 64 38.942 32.426 35.016 1.00 0.00 C ATOM 1007 CG ARG A 64 39.270 33.202 36.306 1.00 0.00 C ATOM 1008 CD ARG A 64 39.193 34.739 36.223 1.00 0.00 C ATOM 1009 NE ARG A 64 39.959 35.327 35.107 1.00 0.00 N ATOM 1010 CZ ARG A 64 41.244 35.188 34.840 1.00 0.00 C ATOM 1011 NH1 ARG A 64 42.084 34.567 35.620 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 41.708 35.678 33.734 1.00 0.00 N ATOM 0 H ARG A 64 36.884 31.908 36.263 1.00 0.00 H new ATOM 0 HA ARG A 64 37.425 33.702 34.126 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.058 31.361 35.217 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.680 32.690 34.259 1.00 0.00 H new ATOM 0 HG2 ARG A 64 38.588 32.868 37.088 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.276 32.928 36.623 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.148 35.034 36.126 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.557 35.160 37.160 1.00 0.00 H new ATOM 0 HE ARG A 64 39.430 35.914 34.462 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.759 34.154 36.494 1.00 0.00 H new ATOM 0 HH12 ARG A 64 43.067 34.494 35.356 1.00 0.00 H new ATOM 0 HH21 ARG A 64 41.083 36.161 33.088 1.00 0.00 H new ATOM 0 HH22 ARG A 64 42.698 35.581 33.509 1.00 0.00 H new