USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 481 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 Single : A 6 LYS NZ :NH3+ 164:sc= -0.0362 (180deg=-0.392) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= -3.53 (180deg=-3.53) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.288 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0486 F(o=-0.99,f=-0.049) USER MOD Single : A 36 SER OG : rot 57:sc= 0.0289 USER MOD Single : A 37 THR OG1 : rot -46:sc= 0.97 USER MOD Single : A 38 ASN : amide:sc= -0.0942 X(o=-0.094,f=0.14) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00398) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 6 4.446 5.729 -0.543 1.00 62.44 N ATOM 67 CA LYS A 6 3.872 4.788 -1.498 1.00 60.01 C ATOM 68 C LYS A 6 4.962 4.143 -2.348 1.00 74.45 C ATOM 69 O LYS A 6 5.719 4.832 -3.030 1.00 51.51 O ATOM 70 CB LYS A 6 2.860 5.499 -2.400 1.00 23.40 C ATOM 71 CG LYS A 6 1.561 4.733 -2.578 1.00 32.31 C ATOM 72 CD LYS A 6 0.373 5.672 -2.706 1.00 61.34 C ATOM 73 CE LYS A 6 -0.252 5.968 -1.352 1.00 1.52 C ATOM 74 NZ LYS A 6 0.404 7.124 -0.680 1.00 13.42 N ATOM 0 HA LYS A 6 3.362 4.005 -0.937 1.00 60.01 H new ATOM 0 HB2 LYS A 6 2.639 6.480 -1.981 1.00 23.40 H new ATOM 0 HB3 LYS A 6 3.311 5.665 -3.378 1.00 23.40 H new ATOM 0 HG2 LYS A 6 1.627 4.105 -3.466 1.00 32.31 H new ATOM 0 HG3 LYS A 6 1.410 4.068 -1.728 1.00 32.31 H new ATOM 0 HD2 LYS A 6 0.693 6.604 -3.172 1.00 61.34 H new ATOM 0 HD3 LYS A 6 -0.374 5.228 -3.363 1.00 61.34 H new ATOM 0 HE2 LYS A 6 -1.314 6.177 -1.480 1.00 1.52 H new ATOM 0 HE3 LYS A 6 -0.175 5.086 -0.716 1.00 1.52 H new ATOM 0 HZ1 LYS A 6 -0.202 7.466 0.093 1.00 13.42 H new ATOM 0 HZ2 LYS A 6 1.322 6.825 -0.293 1.00 13.42 H new ATOM 0 HZ3 LYS A 6 0.551 7.889 -1.369 1.00 13.42 H new ATOM 88 N GLU A 7 5.033 2.816 -2.304 1.00 30.12 N ATOM 89 CA GLU A 7 6.030 2.079 -3.071 1.00 70.03 C ATOM 90 C GLU A 7 5.647 2.021 -4.547 1.00 53.23 C ATOM 91 O GLU A 7 5.413 0.945 -5.098 1.00 64.53 O ATOM 92 CB GLU A 7 6.186 0.661 -2.518 1.00 3.02 C ATOM 93 CG GLU A 7 6.509 0.619 -1.034 1.00 12.14 C ATOM 94 CD GLU A 7 7.627 -0.351 -0.707 1.00 24.11 C ATOM 95 OE1 GLU A 7 7.474 -1.555 -1.001 1.00 2.14 O ATOM 96 OE2 GLU A 7 8.657 0.095 -0.157 1.00 73.54 O ATOM 0 H GLU A 7 4.412 2.230 -1.746 1.00 30.12 H new ATOM 0 HA GLU A 7 6.981 2.604 -2.980 1.00 70.03 H new ATOM 0 HB2 GLU A 7 5.264 0.107 -2.697 1.00 3.02 H new ATOM 0 HB3 GLU A 7 6.977 0.150 -3.068 1.00 3.02 H new ATOM 0 HG2 GLU A 7 6.790 1.617 -0.699 1.00 12.14 H new ATOM 0 HG3 GLU A 7 5.614 0.337 -0.479 1.00 12.14 H new ATOM 103 N LEU A 8 5.583 3.187 -5.182 1.00 21.43 N ATOM 104 CA LEU A 8 5.228 3.270 -6.594 1.00 53.31 C ATOM 105 C LEU A 8 6.188 4.189 -7.344 1.00 35.23 C ATOM 106 O LEU A 8 6.852 5.033 -6.743 1.00 25.33 O ATOM 107 CB LEU A 8 3.793 3.777 -6.750 1.00 33.10 C ATOM 108 CG LEU A 8 2.773 2.758 -7.259 1.00 33.31 C ATOM 109 CD1 LEU A 8 2.680 1.575 -6.307 1.00 55.04 C ATOM 110 CD2 LEU A 8 1.410 3.410 -7.436 1.00 54.54 C ATOM 0 H LEU A 8 5.772 4.087 -4.741 1.00 21.43 H new ATOM 0 HA LEU A 8 5.303 2.270 -7.021 1.00 53.31 H new ATOM 0 HB2 LEU A 8 3.453 4.149 -5.784 1.00 33.10 H new ATOM 0 HB3 LEU A 8 3.801 4.626 -7.434 1.00 33.10 H new ATOM 0 HG LEU A 8 3.107 2.392 -8.230 1.00 33.31 H new ATOM 0 HD11 LEU A 8 1.949 0.860 -6.685 1.00 55.04 H new ATOM 0 HD12 LEU A 8 3.654 1.092 -6.230 1.00 55.04 H new ATOM 0 HD13 LEU A 8 2.370 1.924 -5.322 1.00 55.04 H new ATOM 0 HD21 LEU A 8 0.697 2.670 -7.799 1.00 54.54 H new ATOM 0 HD22 LEU A 8 1.068 3.804 -6.479 1.00 54.54 H new ATOM 0 HD23 LEU A 8 1.487 4.224 -8.157 1.00 54.54 H new ATOM 122 N VAL A 9 6.253 4.020 -8.661 1.00 20.04 N ATOM 123 CA VAL A 9 7.129 4.836 -9.493 1.00 73.23 C ATOM 124 C VAL A 9 6.344 5.531 -10.600 1.00 13.55 C ATOM 125 O VAL A 9 5.454 4.939 -11.211 1.00 52.04 O ATOM 126 CB VAL A 9 8.248 3.989 -10.128 1.00 4.54 C ATOM 127 CG1 VAL A 9 9.302 4.886 -10.760 1.00 25.34 C ATOM 128 CG2 VAL A 9 8.872 3.068 -9.090 1.00 44.41 C ATOM 0 H VAL A 9 5.710 3.326 -9.174 1.00 20.04 H new ATOM 0 HA VAL A 9 7.576 5.587 -8.841 1.00 73.23 H new ATOM 0 HB VAL A 9 7.813 3.371 -10.913 1.00 4.54 H new ATOM 0 HG11 VAL A 9 10.085 4.271 -11.204 1.00 25.34 H new ATOM 0 HG12 VAL A 9 8.841 5.500 -11.534 1.00 25.34 H new ATOM 0 HG13 VAL A 9 9.737 5.531 -9.996 1.00 25.34 H new ATOM 0 HG21 VAL A 9 9.661 2.477 -9.555 1.00 44.41 H new ATOM 0 HG22 VAL A 9 9.295 3.664 -8.282 1.00 44.41 H new ATOM 0 HG23 VAL A 9 8.108 2.402 -8.688 1.00 44.41 H new ATOM 138 N LEU A 10 6.679 6.792 -10.852 1.00 73.12 N ATOM 139 CA LEU A 10 6.005 7.570 -11.886 1.00 64.14 C ATOM 140 C LEU A 10 6.975 7.947 -13.002 1.00 11.01 C ATOM 141 O LEU A 10 8.171 8.117 -12.767 1.00 71.33 O ATOM 142 CB LEU A 10 5.389 8.833 -11.282 1.00 62.11 C ATOM 143 CG LEU A 10 3.951 8.703 -10.779 1.00 50.52 C ATOM 144 CD1 LEU A 10 3.695 9.675 -9.637 1.00 64.32 C ATOM 145 CD2 LEU A 10 2.966 8.941 -11.914 1.00 73.13 C ATOM 0 H LEU A 10 7.413 7.297 -10.355 1.00 73.12 H new ATOM 0 HA LEU A 10 5.212 6.954 -12.311 1.00 64.14 H new ATOM 0 HB2 LEU A 10 6.016 9.157 -10.451 1.00 62.11 H new ATOM 0 HB3 LEU A 10 5.420 9.623 -12.032 1.00 62.11 H new ATOM 0 HG LEU A 10 3.807 7.689 -10.406 1.00 50.52 H new ATOM 0 HD11 LEU A 10 2.667 9.568 -9.292 1.00 64.32 H new ATOM 0 HD12 LEU A 10 4.378 9.459 -8.815 1.00 64.32 H new ATOM 0 HD13 LEU A 10 3.857 10.695 -9.984 1.00 64.32 H new ATOM 0 HD21 LEU A 10 1.947 8.845 -11.538 1.00 73.13 H new ATOM 0 HD22 LEU A 10 3.111 9.943 -12.317 1.00 73.13 H new ATOM 0 HD23 LEU A 10 3.133 8.206 -12.701 1.00 73.13 H new ATOM 157 N ALA A 11 6.450 8.078 -14.216 1.00 11.42 N ATOM 158 CA ALA A 11 7.268 8.440 -15.367 1.00 31.22 C ATOM 159 C ALA A 11 7.452 9.951 -15.457 1.00 22.14 C ATOM 160 O ALA A 11 6.481 10.708 -15.431 1.00 32.23 O ATOM 161 CB ALA A 11 6.643 7.905 -16.647 1.00 50.40 C ATOM 0 H ALA A 11 5.462 7.939 -14.428 1.00 11.42 H new ATOM 0 HA ALA A 11 8.252 7.988 -15.239 1.00 31.22 H new ATOM 0 HB1 ALA A 11 7.264 8.182 -17.499 1.00 50.40 H new ATOM 0 HB2 ALA A 11 6.570 6.819 -16.590 1.00 50.40 H new ATOM 0 HB3 ALA A 11 5.647 8.330 -16.771 1.00 50.40 H new ATOM 167 N LEU A 12 8.704 10.384 -15.561 1.00 54.24 N ATOM 168 CA LEU A 12 9.016 11.806 -15.654 1.00 55.34 C ATOM 169 C LEU A 12 8.927 12.290 -17.098 1.00 73.03 C ATOM 170 O LEU A 12 8.560 13.436 -17.358 1.00 51.22 O ATOM 171 CB LEU A 12 10.414 12.079 -15.098 1.00 42.12 C ATOM 172 CG LEU A 12 10.789 13.550 -14.917 1.00 1.42 C ATOM 173 CD1 LEU A 12 9.837 14.228 -13.943 1.00 62.41 C ATOM 174 CD2 LEU A 12 12.227 13.679 -14.436 1.00 62.12 C ATOM 0 H LEU A 12 9.519 9.771 -15.583 1.00 54.24 H new ATOM 0 HA LEU A 12 8.283 12.353 -15.061 1.00 55.34 H new ATOM 0 HB2 LEU A 12 10.503 11.581 -14.133 1.00 42.12 H new ATOM 0 HB3 LEU A 12 11.144 11.618 -15.763 1.00 42.12 H new ATOM 0 HG LEU A 12 10.704 14.048 -15.883 1.00 1.42 H new ATOM 0 HD11 LEU A 12 10.120 15.274 -13.827 1.00 62.41 H new ATOM 0 HD12 LEU A 12 8.819 14.168 -14.328 1.00 62.41 H new ATOM 0 HD13 LEU A 12 9.889 13.728 -12.976 1.00 62.41 H new ATOM 0 HD21 LEU A 12 12.476 14.733 -14.313 1.00 62.12 H new ATOM 0 HD22 LEU A 12 12.339 13.166 -13.481 1.00 62.12 H new ATOM 0 HD23 LEU A 12 12.898 13.231 -15.169 1.00 62.12 H new ATOM 186 N TYR A 13 9.263 11.409 -18.034 1.00 33.45 N ATOM 187 CA TYR A 13 9.221 11.746 -19.452 1.00 22.45 C ATOM 188 C TYR A 13 9.072 10.490 -20.306 1.00 4.33 C ATOM 189 O TYR A 13 9.804 9.516 -20.130 1.00 22.10 O ATOM 190 CB TYR A 13 10.488 12.503 -19.854 1.00 54.05 C ATOM 191 CG TYR A 13 10.296 13.411 -21.049 1.00 21.44 C ATOM 192 CD1 TYR A 13 9.900 14.732 -20.885 1.00 41.33 C ATOM 193 CD2 TYR A 13 10.512 12.946 -22.340 1.00 44.43 C ATOM 194 CE1 TYR A 13 9.723 15.565 -21.974 1.00 23.45 C ATOM 195 CE2 TYR A 13 10.339 13.772 -23.434 1.00 45.04 C ATOM 196 CZ TYR A 13 9.944 15.080 -23.246 1.00 4.01 C ATOM 197 OH TYR A 13 9.771 15.906 -24.332 1.00 53.44 O ATOM 0 H TYR A 13 9.568 10.456 -17.836 1.00 33.45 H new ATOM 0 HA TYR A 13 8.354 12.384 -19.623 1.00 22.45 H new ATOM 0 HB2 TYR A 13 10.830 13.098 -19.007 1.00 54.05 H new ATOM 0 HB3 TYR A 13 11.276 11.784 -20.077 1.00 54.05 H new ATOM 0 HD1 TYR A 13 9.727 15.115 -19.890 1.00 41.33 H new ATOM 0 HD2 TYR A 13 10.820 11.922 -22.491 1.00 44.43 H new ATOM 0 HE1 TYR A 13 9.413 16.590 -21.830 1.00 23.45 H new ATOM 0 HE2 TYR A 13 10.512 13.395 -24.431 1.00 45.04 H new ATOM 0 HH TYR A 13 9.968 15.411 -25.154 1.00 53.44 H new ATOM 207 N ASP A 14 8.120 10.522 -21.231 1.00 41.23 N ATOM 208 CA ASP A 14 7.875 9.389 -22.115 1.00 72.43 C ATOM 209 C ASP A 14 9.152 8.980 -22.843 1.00 0.34 C ATOM 210 O ASP A 14 10.180 9.650 -22.737 1.00 54.45 O ATOM 211 CB ASP A 14 6.783 9.733 -23.130 1.00 21.42 C ATOM 212 CG ASP A 14 7.310 10.551 -24.292 1.00 10.41 C ATOM 213 OD1 ASP A 14 8.155 11.440 -24.056 1.00 54.22 O ATOM 214 OD2 ASP A 14 6.877 10.304 -25.437 1.00 61.11 O ATOM 0 H ASP A 14 7.505 11.320 -21.388 1.00 41.23 H new ATOM 0 HA ASP A 14 7.542 8.550 -21.504 1.00 72.43 H new ATOM 0 HB2 ASP A 14 6.340 8.812 -23.509 1.00 21.42 H new ATOM 0 HB3 ASP A 14 5.988 10.287 -22.630 1.00 21.42 H new ATOM 219 N TYR A 15 9.080 7.877 -23.579 1.00 4.02 N ATOM 220 CA TYR A 15 10.232 7.377 -24.321 1.00 12.22 C ATOM 221 C TYR A 15 9.791 6.461 -25.458 1.00 51.24 C ATOM 222 O TYR A 15 8.603 6.365 -25.767 1.00 5.02 O ATOM 223 CB TYR A 15 11.181 6.627 -23.385 1.00 60.53 C ATOM 224 CG TYR A 15 12.640 6.945 -23.620 1.00 43.23 C ATOM 225 CD1 TYR A 15 13.116 8.245 -23.500 1.00 22.22 C ATOM 226 CD2 TYR A 15 13.543 5.946 -23.962 1.00 24.12 C ATOM 227 CE1 TYR A 15 14.448 8.540 -23.714 1.00 45.44 C ATOM 228 CE2 TYR A 15 14.878 6.232 -24.177 1.00 33.02 C ATOM 229 CZ TYR A 15 15.325 7.531 -24.052 1.00 63.34 C ATOM 230 OH TYR A 15 16.653 7.821 -24.266 1.00 24.14 O ATOM 0 H TYR A 15 8.237 7.312 -23.678 1.00 4.02 H new ATOM 0 HA TYR A 15 10.756 8.232 -24.750 1.00 12.22 H new ATOM 0 HB2 TYR A 15 10.927 6.869 -22.353 1.00 60.53 H new ATOM 0 HB3 TYR A 15 11.027 5.555 -23.508 1.00 60.53 H new ATOM 0 HD1 TYR A 15 12.433 9.038 -23.235 1.00 22.22 H new ATOM 0 HD2 TYR A 15 13.196 4.928 -24.062 1.00 24.12 H new ATOM 0 HE1 TYR A 15 14.801 9.556 -23.617 1.00 45.44 H new ATOM 0 HE2 TYR A 15 15.567 5.443 -24.441 1.00 33.02 H new ATOM 0 HH TYR A 15 17.135 6.999 -24.494 1.00 24.14 H new ATOM 240 N GLN A 16 10.757 5.790 -26.077 1.00 40.22 N ATOM 241 CA GLN A 16 10.469 4.882 -27.181 1.00 23.42 C ATOM 242 C GLN A 16 11.427 3.694 -27.172 1.00 54.41 C ATOM 243 O GLN A 16 12.573 3.813 -26.741 1.00 11.21 O ATOM 244 CB GLN A 16 10.567 5.621 -28.516 1.00 72.24 C ATOM 245 CG GLN A 16 11.957 6.160 -28.813 1.00 54.51 C ATOM 246 CD GLN A 16 11.981 7.078 -30.020 1.00 1.15 C ATOM 247 OE1 GLN A 16 11.063 7.068 -30.840 1.00 64.25 O ATOM 248 NE2 GLN A 16 13.034 7.879 -30.133 1.00 63.13 N ATOM 0 H GLN A 16 11.745 5.858 -25.833 1.00 40.22 H new ATOM 0 HA GLN A 16 9.453 4.508 -27.055 1.00 23.42 H new ATOM 0 HB2 GLN A 16 10.269 4.946 -29.318 1.00 72.24 H new ATOM 0 HB3 GLN A 16 9.858 6.449 -28.516 1.00 72.24 H new ATOM 0 HG2 GLN A 16 12.326 6.701 -27.942 1.00 54.51 H new ATOM 0 HG3 GLN A 16 12.638 5.326 -28.982 1.00 54.51 H new ATOM 0 HE21 GLN A 16 13.772 7.854 -29.429 1.00 63.13 H new ATOM 0 HE22 GLN A 16 13.105 8.520 -30.924 1.00 63.13 H new ATOM 257 N GLU A 17 10.947 2.550 -27.651 1.00 5.52 N ATOM 258 CA GLU A 17 11.762 1.342 -27.696 1.00 74.45 C ATOM 259 C GLU A 17 12.636 1.321 -28.947 1.00 52.31 C ATOM 260 O GLU A 17 12.505 0.439 -29.796 1.00 23.12 O ATOM 261 CB GLU A 17 10.870 0.098 -27.664 1.00 3.33 C ATOM 262 CG GLU A 17 9.813 0.079 -28.754 1.00 73.44 C ATOM 263 CD GLU A 17 9.490 -1.325 -29.229 1.00 33.15 C ATOM 264 OE1 GLU A 17 10.339 -1.930 -29.916 1.00 31.04 O ATOM 265 OE2 GLU A 17 8.387 -1.819 -28.912 1.00 10.53 O ATOM 0 H GLU A 17 10.000 2.435 -28.012 1.00 5.52 H new ATOM 0 HA GLU A 17 12.411 1.339 -26.820 1.00 74.45 H new ATOM 0 HB2 GLU A 17 11.495 -0.790 -27.760 1.00 3.33 H new ATOM 0 HB3 GLU A 17 10.379 0.038 -26.693 1.00 3.33 H new ATOM 0 HG2 GLU A 17 8.904 0.551 -28.381 1.00 73.44 H new ATOM 0 HG3 GLU A 17 10.158 0.674 -29.600 1.00 73.44 H new ATOM 272 N LYS A 18 13.527 2.301 -29.054 1.00 64.54 N ATOM 273 CA LYS A 18 14.425 2.397 -30.200 1.00 33.14 C ATOM 274 C LYS A 18 15.339 1.179 -30.278 1.00 61.44 C ATOM 275 O LYS A 18 15.776 0.787 -31.361 1.00 13.33 O ATOM 276 CB LYS A 18 15.264 3.673 -30.110 1.00 4.12 C ATOM 277 CG LYS A 18 15.709 4.205 -31.461 1.00 51.22 C ATOM 278 CD LYS A 18 16.485 5.504 -31.321 1.00 51.03 C ATOM 279 CE LYS A 18 17.966 5.301 -31.600 1.00 24.13 C ATOM 280 NZ LYS A 18 18.762 6.520 -31.286 1.00 30.00 N ATOM 0 H LYS A 18 13.647 3.040 -28.361 1.00 64.54 H new ATOM 0 HA LYS A 18 13.818 2.432 -31.105 1.00 33.14 H new ATOM 0 HB2 LYS A 18 14.686 4.443 -29.598 1.00 4.12 H new ATOM 0 HB3 LYS A 18 16.145 3.476 -29.498 1.00 4.12 H new ATOM 0 HG2 LYS A 18 16.330 3.461 -31.959 1.00 51.22 H new ATOM 0 HG3 LYS A 18 14.837 4.368 -32.094 1.00 51.22 H new ATOM 0 HD2 LYS A 18 16.082 6.246 -32.010 1.00 51.03 H new ATOM 0 HD3 LYS A 18 16.354 5.900 -30.314 1.00 51.03 H new ATOM 0 HE2 LYS A 18 18.336 4.464 -31.008 1.00 24.13 H new ATOM 0 HE3 LYS A 18 18.105 5.036 -32.648 1.00 24.13 H new ATOM 0 HZ1 LYS A 18 19.766 6.341 -31.490 1.00 30.00 H new ATOM 0 HZ2 LYS A 18 18.427 7.313 -31.869 1.00 30.00 H new ATOM 0 HZ3 LYS A 18 18.650 6.758 -30.280 1.00 30.00 H new ATOM 294 N SER A 19 15.624 0.582 -29.125 1.00 12.30 N ATOM 295 CA SER A 19 16.488 -0.590 -29.064 1.00 22.44 C ATOM 296 C SER A 19 15.707 -1.818 -28.605 1.00 53.11 C ATOM 297 O SER A 19 14.633 -1.716 -28.011 1.00 4.24 O ATOM 298 CB SER A 19 17.662 -0.336 -28.116 1.00 41.12 C ATOM 299 OG SER A 19 18.853 -0.077 -28.838 1.00 45.24 O ATOM 0 H SER A 19 15.269 0.891 -28.220 1.00 12.30 H new ATOM 0 HA SER A 19 16.873 -0.779 -30.066 1.00 22.44 H new ATOM 0 HB2 SER A 19 17.434 0.511 -27.468 1.00 41.12 H new ATOM 0 HB3 SER A 19 17.806 -1.202 -27.470 1.00 41.12 H new ATOM 0 HG SER A 19 19.588 0.084 -28.210 1.00 45.24 H new ATOM 305 N PRO A 20 16.257 -3.008 -28.888 1.00 30.15 N ATOM 306 CA PRO A 20 15.630 -4.279 -28.513 1.00 73.03 C ATOM 307 C PRO A 20 15.653 -4.516 -27.007 1.00 41.41 C ATOM 308 O PRO A 20 14.916 -5.355 -26.490 1.00 23.33 O ATOM 309 CB PRO A 20 16.488 -5.323 -29.232 1.00 33.20 C ATOM 310 CG PRO A 20 17.815 -4.670 -29.404 1.00 4.45 C ATOM 311 CD PRO A 20 17.534 -3.205 -29.593 1.00 42.35 C ATOM 0 HA PRO A 20 14.576 -4.310 -28.789 1.00 73.03 H new ATOM 0 HB2 PRO A 20 16.570 -6.239 -28.647 1.00 33.20 H new ATOM 0 HB3 PRO A 20 16.054 -5.597 -30.194 1.00 33.20 H new ATOM 0 HG2 PRO A 20 18.448 -4.837 -28.532 1.00 4.45 H new ATOM 0 HG3 PRO A 20 18.343 -5.080 -30.265 1.00 4.45 H new ATOM 0 HD2 PRO A 20 18.326 -2.586 -29.170 1.00 42.35 H new ATOM 0 HD3 PRO A 20 17.455 -2.944 -30.648 1.00 42.35 H new ATOM 319 N ARG A 21 16.503 -3.770 -26.309 1.00 22.13 N ATOM 320 CA ARG A 21 16.623 -3.900 -24.861 1.00 55.25 C ATOM 321 C ARG A 21 15.819 -2.815 -24.150 1.00 41.13 C ATOM 322 O ARG A 21 15.384 -2.996 -23.014 1.00 21.43 O ATOM 323 CB ARG A 21 18.091 -3.821 -24.440 1.00 40.33 C ATOM 324 CG ARG A 21 18.415 -4.641 -23.203 1.00 32.44 C ATOM 325 CD ARG A 21 18.773 -6.075 -23.563 1.00 3.43 C ATOM 326 NE ARG A 21 18.624 -6.978 -22.425 1.00 64.41 N ATOM 327 CZ ARG A 21 19.535 -7.110 -21.467 1.00 61.11 C ATOM 328 NH1 ARG A 21 20.654 -6.400 -21.509 1.00 52.21 N ATOM 329 NH2 ARG A 21 19.327 -7.953 -20.464 1.00 23.40 N ATOM 0 H ARG A 21 17.119 -3.069 -26.722 1.00 22.13 H new ATOM 0 HA ARG A 21 16.222 -4.872 -24.574 1.00 55.25 H new ATOM 0 HB2 ARG A 21 18.716 -4.162 -25.265 1.00 40.33 H new ATOM 0 HB3 ARG A 21 18.351 -2.779 -24.253 1.00 40.33 H new ATOM 0 HG2 ARG A 21 19.245 -4.181 -22.667 1.00 32.44 H new ATOM 0 HG3 ARG A 21 17.559 -4.637 -22.528 1.00 32.44 H new ATOM 0 HD2 ARG A 21 18.136 -6.413 -24.380 1.00 3.43 H new ATOM 0 HD3 ARG A 21 19.801 -6.113 -23.923 1.00 3.43 H new ATOM 0 HE ARG A 21 17.774 -7.538 -22.362 1.00 64.41 H new ATOM 0 HH11 ARG A 21 20.817 -5.750 -22.278 1.00 52.21 H new ATOM 0 HH12 ARG A 21 21.352 -6.503 -20.772 1.00 52.21 H new ATOM 0 HH21 ARG A 21 18.467 -8.500 -20.428 1.00 23.40 H new ATOM 0 HH22 ARG A 21 20.027 -8.054 -19.729 1.00 23.40 H new ATOM 343 N GLU A 22 15.627 -1.687 -24.828 1.00 63.41 N ATOM 344 CA GLU A 22 14.878 -0.573 -24.260 1.00 34.43 C ATOM 345 C GLU A 22 13.375 -0.828 -24.346 1.00 65.11 C ATOM 346 O GLU A 22 12.935 -1.819 -24.929 1.00 51.33 O ATOM 347 CB GLU A 22 15.228 0.728 -24.984 1.00 13.31 C ATOM 348 CG GLU A 22 16.710 1.060 -24.958 1.00 23.44 C ATOM 349 CD GLU A 22 17.199 1.439 -23.573 1.00 52.21 C ATOM 350 OE1 GLU A 22 16.689 2.435 -23.017 1.00 62.32 O ATOM 351 OE2 GLU A 22 18.090 0.742 -23.046 1.00 21.51 O ATOM 0 H GLU A 22 15.980 -1.521 -25.771 1.00 63.41 H new ATOM 0 HA GLU A 22 15.154 -0.481 -23.210 1.00 34.43 H new ATOM 0 HB2 GLU A 22 14.899 0.657 -26.021 1.00 13.31 H new ATOM 0 HB3 GLU A 22 14.673 1.548 -24.529 1.00 13.31 H new ATOM 0 HG2 GLU A 22 17.277 0.201 -25.317 1.00 23.44 H new ATOM 0 HG3 GLU A 22 16.906 1.882 -25.646 1.00 23.44 H new ATOM 358 N VAL A 23 12.594 0.073 -23.760 1.00 54.43 N ATOM 359 CA VAL A 23 11.141 -0.052 -23.771 1.00 21.32 C ATOM 360 C VAL A 23 10.473 1.309 -23.930 1.00 31.21 C ATOM 361 O VAL A 23 11.115 2.350 -23.786 1.00 64.41 O ATOM 362 CB VAL A 23 10.626 -0.717 -22.480 1.00 71.15 C ATOM 363 CG1 VAL A 23 11.286 -2.072 -22.278 1.00 20.43 C ATOM 364 CG2 VAL A 23 10.868 0.188 -21.282 1.00 22.10 C ATOM 0 H VAL A 23 12.943 0.898 -23.271 1.00 54.43 H new ATOM 0 HA VAL A 23 10.884 -0.681 -24.623 1.00 21.32 H new ATOM 0 HB VAL A 23 9.552 -0.874 -22.576 1.00 71.15 H new ATOM 0 HG11 VAL A 23 10.910 -2.527 -21.361 1.00 20.43 H new ATOM 0 HG12 VAL A 23 11.056 -2.719 -23.125 1.00 20.43 H new ATOM 0 HG13 VAL A 23 12.366 -1.943 -22.203 1.00 20.43 H new ATOM 0 HG21 VAL A 23 10.498 -0.297 -20.379 1.00 22.10 H new ATOM 0 HG22 VAL A 23 11.936 0.379 -21.180 1.00 22.10 H new ATOM 0 HG23 VAL A 23 10.343 1.132 -21.427 1.00 22.10 H new ATOM 374 N THR A 24 9.177 1.295 -24.228 1.00 22.24 N ATOM 375 CA THR A 24 8.421 2.528 -24.407 1.00 71.51 C ATOM 376 C THR A 24 7.676 2.906 -23.132 1.00 52.03 C ATOM 377 O THR A 24 6.993 2.077 -22.532 1.00 23.42 O ATOM 378 CB THR A 24 7.409 2.403 -25.562 1.00 20.32 C ATOM 379 OG1 THR A 24 6.649 3.610 -25.680 1.00 13.45 O ATOM 380 CG2 THR A 24 6.471 1.227 -25.335 1.00 30.15 C ATOM 0 H THR A 24 8.630 0.443 -24.350 1.00 22.24 H new ATOM 0 HA THR A 24 9.142 3.309 -24.648 1.00 71.51 H new ATOM 0 HB THR A 24 7.964 2.232 -26.485 1.00 20.32 H new ATOM 0 HG1 THR A 24 6.009 3.523 -26.417 1.00 13.45 H new ATOM 0 HG21 THR A 24 5.766 1.159 -26.163 1.00 30.15 H new ATOM 0 HG22 THR A 24 7.050 0.306 -25.275 1.00 30.15 H new ATOM 0 HG23 THR A 24 5.924 1.373 -24.404 1.00 30.15 H new ATOM 388 N MET A 25 7.811 4.164 -22.725 1.00 33.22 N ATOM 389 CA MET A 25 7.148 4.652 -21.521 1.00 53.12 C ATOM 390 C MET A 25 6.430 5.971 -21.793 1.00 23.44 C ATOM 391 O MET A 25 6.739 6.670 -22.757 1.00 43.52 O ATOM 392 CB MET A 25 8.163 4.834 -20.392 1.00 24.24 C ATOM 393 CG MET A 25 9.225 5.880 -20.691 1.00 71.33 C ATOM 394 SD MET A 25 9.973 6.558 -19.198 1.00 21.25 S ATOM 395 CE MET A 25 11.529 7.166 -19.844 1.00 71.31 C ATOM 0 H MET A 25 8.373 4.863 -23.211 1.00 33.22 H new ATOM 0 HA MET A 25 6.408 3.911 -21.218 1.00 53.12 H new ATOM 0 HB2 MET A 25 7.634 5.115 -19.481 1.00 24.24 H new ATOM 0 HB3 MET A 25 8.651 3.879 -20.196 1.00 24.24 H new ATOM 0 HG2 MET A 25 10.002 5.435 -21.312 1.00 71.33 H new ATOM 0 HG3 MET A 25 8.779 6.690 -21.269 1.00 71.33 H new ATOM 0 HE1 MET A 25 12.107 7.616 -19.037 1.00 71.31 H new ATOM 0 HE2 MET A 25 12.092 6.339 -20.276 1.00 71.31 H new ATOM 0 HE3 MET A 25 11.336 7.914 -20.613 1.00 71.31 H new ATOM 405 N LYS A 26 5.471 6.304 -20.936 1.00 54.02 N ATOM 406 CA LYS A 26 4.709 7.539 -21.082 1.00 63.13 C ATOM 407 C LYS A 26 4.753 8.360 -19.798 1.00 2.42 C ATOM 408 O LYS A 26 4.440 7.860 -18.717 1.00 63.13 O ATOM 409 CB LYS A 26 3.257 7.226 -21.451 1.00 42.40 C ATOM 410 CG LYS A 26 3.037 7.027 -22.941 1.00 24.54 C ATOM 411 CD LYS A 26 1.581 7.232 -23.322 1.00 0.41 C ATOM 412 CE LYS A 26 1.445 8.140 -24.535 1.00 4.34 C ATOM 413 NZ LYS A 26 0.025 8.501 -24.801 1.00 45.51 N ATOM 0 H LYS A 26 5.203 5.736 -20.133 1.00 54.02 H new ATOM 0 HA LYS A 26 5.162 8.124 -21.882 1.00 63.13 H new ATOM 0 HB2 LYS A 26 2.943 6.326 -20.923 1.00 42.40 H new ATOM 0 HB3 LYS A 26 2.619 8.039 -21.104 1.00 42.40 H new ATOM 0 HG2 LYS A 26 3.662 7.725 -23.498 1.00 24.54 H new ATOM 0 HG3 LYS A 26 3.350 6.022 -23.225 1.00 24.54 H new ATOM 0 HD2 LYS A 26 1.120 6.267 -23.535 1.00 0.41 H new ATOM 0 HD3 LYS A 26 1.041 7.665 -22.480 1.00 0.41 H new ATOM 0 HE2 LYS A 26 2.027 9.048 -24.376 1.00 4.34 H new ATOM 0 HE3 LYS A 26 1.863 7.642 -25.410 1.00 4.34 H new ATOM 0 HZ1 LYS A 26 -0.025 9.120 -25.635 1.00 45.51 H new ATOM 0 HZ2 LYS A 26 -0.526 7.637 -24.978 1.00 45.51 H new ATOM 0 HZ3 LYS A 26 -0.367 8.999 -23.976 1.00 45.51 H new ATOM 427 N LYS A 27 5.142 9.625 -19.923 1.00 30.24 N ATOM 428 CA LYS A 27 5.224 10.517 -18.773 1.00 3.53 C ATOM 429 C LYS A 27 3.918 10.511 -17.984 1.00 65.03 C ATOM 430 O LYS A 27 2.835 10.604 -18.559 1.00 13.21 O ATOM 431 CB LYS A 27 5.550 11.942 -19.229 1.00 31.52 C ATOM 432 CG LYS A 27 5.799 12.906 -18.082 1.00 21.41 C ATOM 433 CD LYS A 27 4.505 13.532 -17.588 1.00 64.54 C ATOM 434 CE LYS A 27 4.698 14.996 -17.224 1.00 61.35 C ATOM 435 NZ LYS A 27 3.586 15.845 -17.733 1.00 75.35 N ATOM 0 H LYS A 27 5.405 10.055 -20.810 1.00 30.24 H new ATOM 0 HA LYS A 27 6.022 10.158 -18.123 1.00 3.53 H new ATOM 0 HB2 LYS A 27 6.432 11.917 -19.869 1.00 31.52 H new ATOM 0 HB3 LYS A 27 4.726 12.318 -19.836 1.00 31.52 H new ATOM 0 HG2 LYS A 27 6.285 12.379 -17.261 1.00 21.41 H new ATOM 0 HG3 LYS A 27 6.483 13.690 -18.407 1.00 21.41 H new ATOM 0 HD2 LYS A 27 3.740 13.446 -18.360 1.00 64.54 H new ATOM 0 HD3 LYS A 27 4.143 12.984 -16.718 1.00 64.54 H new ATOM 0 HE2 LYS A 27 4.764 15.095 -16.141 1.00 61.35 H new ATOM 0 HE3 LYS A 27 5.643 15.351 -17.635 1.00 61.35 H new ATOM 0 HZ1 LYS A 27 3.755 16.835 -17.464 1.00 75.35 H new ATOM 0 HZ2 LYS A 27 3.539 15.771 -18.769 1.00 75.35 H new ATOM 0 HZ3 LYS A 27 2.687 15.523 -17.321 1.00 75.35 H new ATOM 449 N GLY A 28 4.030 10.402 -16.664 1.00 30.42 N ATOM 450 CA GLY A 28 2.850 10.387 -15.818 1.00 65.55 C ATOM 451 C GLY A 28 2.370 8.981 -15.518 1.00 60.55 C ATOM 452 O GLY A 28 1.654 8.757 -14.542 1.00 24.10 O ATOM 0 H GLY A 28 4.916 10.324 -16.165 1.00 30.42 H new ATOM 0 HA2 GLY A 28 3.071 10.900 -14.882 1.00 65.55 H new ATOM 0 HA3 GLY A 28 2.050 10.945 -16.305 1.00 65.55 H new ATOM 456 N ASP A 29 2.762 8.031 -16.360 1.00 64.14 N ATOM 457 CA ASP A 29 2.367 6.639 -16.181 1.00 33.20 C ATOM 458 C ASP A 29 2.941 6.073 -14.886 1.00 1.21 C ATOM 459 O ASP A 29 3.889 6.623 -14.324 1.00 20.41 O ATOM 460 CB ASP A 29 2.832 5.797 -17.370 1.00 74.22 C ATOM 461 CG ASP A 29 2.270 4.389 -17.338 1.00 21.15 C ATOM 462 OD1 ASP A 29 2.916 3.507 -16.735 1.00 65.31 O ATOM 463 OD2 ASP A 29 1.185 4.169 -17.915 1.00 53.12 O ATOM 0 H ASP A 29 3.353 8.200 -17.174 1.00 64.14 H new ATOM 0 HA ASP A 29 1.279 6.601 -16.122 1.00 33.20 H new ATOM 0 HB2 ASP A 29 2.530 6.285 -18.297 1.00 74.22 H new ATOM 0 HB3 ASP A 29 3.921 5.750 -17.375 1.00 74.22 H new ATOM 468 N ILE A 30 2.360 4.974 -14.418 1.00 23.44 N ATOM 469 CA ILE A 30 2.815 4.334 -13.189 1.00 53.30 C ATOM 470 C ILE A 30 3.469 2.988 -13.479 1.00 71.15 C ATOM 471 O ILE A 30 2.858 2.106 -14.085 1.00 20.14 O ATOM 472 CB ILE A 30 1.653 4.125 -12.200 1.00 54.13 C ATOM 473 CG1 ILE A 30 0.944 5.453 -11.924 1.00 75.44 C ATOM 474 CG2 ILE A 30 2.163 3.512 -10.905 1.00 22.11 C ATOM 475 CD1 ILE A 30 -0.532 5.429 -12.255 1.00 53.54 C ATOM 0 H ILE A 30 1.574 4.508 -14.870 1.00 23.44 H new ATOM 0 HA ILE A 30 3.549 5.002 -12.739 1.00 53.30 H new ATOM 0 HB ILE A 30 0.935 3.437 -12.647 1.00 54.13 H new ATOM 0 HG12 ILE A 30 1.068 5.710 -10.872 1.00 75.44 H new ATOM 0 HG13 ILE A 30 1.426 6.240 -12.504 1.00 75.44 H new ATOM 0 HG21 ILE A 30 1.330 3.371 -10.217 1.00 22.11 H new ATOM 0 HG22 ILE A 30 2.627 2.548 -11.116 1.00 22.11 H new ATOM 0 HG23 ILE A 30 2.899 4.177 -10.453 1.00 22.11 H new ATOM 0 HD11 ILE A 30 -0.970 6.402 -12.035 1.00 53.54 H new ATOM 0 HD12 ILE A 30 -0.664 5.203 -13.313 1.00 53.54 H new ATOM 0 HD13 ILE A 30 -1.027 4.665 -11.656 1.00 53.54 H new ATOM 487 N LEU A 31 4.714 2.835 -13.043 1.00 3.20 N ATOM 488 CA LEU A 31 5.452 1.595 -13.254 1.00 63.30 C ATOM 489 C LEU A 31 5.859 0.970 -11.923 1.00 42.03 C ATOM 490 O LEU A 31 6.227 1.673 -10.981 1.00 61.22 O ATOM 491 CB LEU A 31 6.694 1.856 -14.109 1.00 32.14 C ATOM 492 CG LEU A 31 6.798 1.052 -15.405 1.00 33.41 C ATOM 493 CD1 LEU A 31 6.803 -0.440 -15.109 1.00 31.13 C ATOM 494 CD2 LEU A 31 5.655 1.406 -16.346 1.00 4.43 C ATOM 0 H LEU A 31 5.234 3.555 -12.541 1.00 3.20 H new ATOM 0 HA LEU A 31 4.798 0.897 -13.777 1.00 63.30 H new ATOM 0 HB2 LEU A 31 6.722 2.916 -14.360 1.00 32.14 H new ATOM 0 HB3 LEU A 31 7.577 1.648 -13.504 1.00 32.14 H new ATOM 0 HG LEU A 31 7.738 1.308 -15.894 1.00 33.41 H new ATOM 0 HD11 LEU A 31 6.878 -0.996 -16.044 1.00 31.13 H new ATOM 0 HD12 LEU A 31 7.655 -0.682 -14.474 1.00 31.13 H new ATOM 0 HD13 LEU A 31 5.880 -0.713 -14.597 1.00 31.13 H new ATOM 0 HD21 LEU A 31 5.745 0.824 -17.263 1.00 4.43 H new ATOM 0 HD22 LEU A 31 4.704 1.179 -15.865 1.00 4.43 H new ATOM 0 HD23 LEU A 31 5.696 2.469 -16.585 1.00 4.43 H new ATOM 506 N THR A 32 5.793 -0.356 -11.853 1.00 12.12 N ATOM 507 CA THR A 32 6.155 -1.076 -10.639 1.00 0.15 C ATOM 508 C THR A 32 7.576 -1.620 -10.725 1.00 63.13 C ATOM 509 O THR A 32 7.865 -2.506 -11.531 1.00 51.32 O ATOM 510 CB THR A 32 5.186 -2.242 -10.367 1.00 25.41 C ATOM 511 OG1 THR A 32 5.037 -3.040 -11.547 1.00 22.03 O ATOM 512 CG2 THR A 32 3.827 -1.725 -9.923 1.00 54.44 C ATOM 0 H THR A 32 5.492 -0.953 -12.623 1.00 12.12 H new ATOM 0 HA THR A 32 6.092 -0.362 -9.818 1.00 0.15 H new ATOM 0 HB THR A 32 5.603 -2.852 -9.566 1.00 25.41 H new ATOM 0 HG1 THR A 32 5.911 -3.156 -11.976 1.00 22.03 H new ATOM 0 HG21 THR A 32 3.160 -2.567 -9.737 1.00 54.44 H new ATOM 0 HG22 THR A 32 3.940 -1.143 -9.008 1.00 54.44 H new ATOM 0 HG23 THR A 32 3.405 -1.094 -10.705 1.00 54.44 H new ATOM 520 N LEU A 33 8.461 -1.086 -9.891 1.00 21.14 N ATOM 521 CA LEU A 33 9.854 -1.519 -9.872 1.00 60.44 C ATOM 522 C LEU A 33 10.132 -2.409 -8.665 1.00 73.42 C ATOM 523 O LEU A 33 9.712 -2.107 -7.547 1.00 53.25 O ATOM 524 CB LEU A 33 10.786 -0.306 -9.851 1.00 73.31 C ATOM 525 CG LEU A 33 11.240 0.215 -11.215 1.00 24.22 C ATOM 526 CD1 LEU A 33 10.049 0.703 -12.024 1.00 0.10 C ATOM 527 CD2 LEU A 33 12.265 1.327 -11.046 1.00 50.31 C ATOM 0 H LEU A 33 8.239 -0.352 -9.219 1.00 21.14 H new ATOM 0 HA LEU A 33 10.041 -2.097 -10.777 1.00 60.44 H new ATOM 0 HB2 LEU A 33 10.283 0.505 -9.324 1.00 73.31 H new ATOM 0 HB3 LEU A 33 11.671 -0.563 -9.270 1.00 73.31 H new ATOM 0 HG LEU A 33 11.709 -0.605 -11.758 1.00 24.22 H new ATOM 0 HD11 LEU A 33 10.392 1.070 -12.991 1.00 0.10 H new ATOM 0 HD12 LEU A 33 9.350 -0.120 -12.175 1.00 0.10 H new ATOM 0 HD13 LEU A 33 9.550 1.509 -11.486 1.00 0.10 H new ATOM 0 HD21 LEU A 33 12.577 1.686 -12.027 1.00 50.31 H new ATOM 0 HD22 LEU A 33 11.821 2.148 -10.483 1.00 50.31 H new ATOM 0 HD23 LEU A 33 13.132 0.944 -10.507 1.00 50.31 H new ATOM 539 N LEU A 34 10.843 -3.507 -8.897 1.00 42.12 N ATOM 540 CA LEU A 34 11.180 -4.441 -7.828 1.00 52.22 C ATOM 541 C LEU A 34 12.353 -3.923 -7.003 1.00 23.44 C ATOM 542 O LEU A 34 12.445 -4.186 -5.804 1.00 64.24 O ATOM 543 CB LEU A 34 11.518 -5.814 -8.411 1.00 51.15 C ATOM 544 CG LEU A 34 11.031 -7.022 -7.610 1.00 42.12 C ATOM 545 CD1 LEU A 34 9.697 -7.517 -8.148 1.00 4.34 C ATOM 546 CD2 LEU A 34 12.068 -8.136 -7.642 1.00 55.22 C ATOM 0 H LEU A 34 11.197 -3.772 -9.816 1.00 42.12 H new ATOM 0 HA LEU A 34 10.313 -4.535 -7.174 1.00 52.22 H new ATOM 0 HB2 LEU A 34 11.096 -5.874 -9.414 1.00 51.15 H new ATOM 0 HB3 LEU A 34 12.601 -5.885 -8.516 1.00 51.15 H new ATOM 0 HG LEU A 34 10.889 -6.714 -6.574 1.00 42.12 H new ATOM 0 HD11 LEU A 34 9.366 -8.377 -7.566 1.00 4.34 H new ATOM 0 HD12 LEU A 34 8.956 -6.721 -8.072 1.00 4.34 H new ATOM 0 HD13 LEU A 34 9.811 -7.808 -9.192 1.00 4.34 H new ATOM 0 HD21 LEU A 34 11.705 -8.988 -7.067 1.00 55.22 H new ATOM 0 HD22 LEU A 34 12.241 -8.442 -8.674 1.00 55.22 H new ATOM 0 HD23 LEU A 34 13.001 -7.777 -7.208 1.00 55.22 H new ATOM 558 N ASN A 35 13.247 -3.185 -7.652 1.00 40.42 N ATOM 559 CA ASN A 35 14.414 -2.628 -6.977 1.00 63.45 C ATOM 560 C ASN A 35 14.919 -1.384 -7.701 1.00 10.41 C ATOM 561 O ASN A 35 15.142 -1.404 -8.911 1.00 64.32 O ATOM 562 CB ASN A 35 15.529 -3.673 -6.898 1.00 63.11 C ATOM 563 CG ASN A 35 16.795 -3.122 -6.270 1.00 53.51 C ATOM 564 OD1 ASN A 35 17.630 -2.485 -7.083 1.00 42.41 O flip ATOM 565 ND2 ASN A 35 17.018 -3.266 -5.068 1.00 72.44 N flip ATOM 0 H ASN A 35 13.186 -2.959 -8.645 1.00 40.42 H new ATOM 0 HA ASN A 35 14.118 -2.344 -5.967 1.00 63.45 H new ATOM 0 HB2 ASN A 35 15.181 -4.528 -6.318 1.00 63.11 H new ATOM 0 HB3 ASN A 35 15.753 -4.038 -7.900 1.00 63.11 H new ATOM 0 HD21 ASN A 35 16.348 -3.763 -4.481 1.00 72.44 H new ATOM 0 HD22 ASN A 35 17.873 -2.889 -4.659 1.00 72.44 H new ATOM 572 N SER A 36 15.097 -0.301 -6.951 1.00 31.05 N ATOM 573 CA SER A 36 15.572 0.954 -7.520 1.00 42.33 C ATOM 574 C SER A 36 16.470 1.694 -6.533 1.00 32.33 C ATOM 575 O SER A 36 16.082 2.717 -5.968 1.00 32.01 O ATOM 576 CB SER A 36 14.389 1.841 -7.914 1.00 31.42 C ATOM 577 OG SER A 36 13.418 1.883 -6.882 1.00 44.31 O ATOM 0 H SER A 36 14.919 -0.268 -5.947 1.00 31.05 H new ATOM 0 HA SER A 36 16.155 0.721 -8.411 1.00 42.33 H new ATOM 0 HB2 SER A 36 14.742 2.850 -8.127 1.00 31.42 H new ATOM 0 HB3 SER A 36 13.935 1.462 -8.830 1.00 31.42 H new ATOM 0 HG SER A 36 13.834 2.202 -6.054 1.00 44.31 H new ATOM 583 N THR A 37 17.674 1.168 -6.329 1.00 33.14 N ATOM 584 CA THR A 37 18.627 1.776 -5.409 1.00 62.30 C ATOM 585 C THR A 37 19.975 2.002 -6.085 1.00 13.43 C ATOM 586 O THR A 37 21.014 2.026 -5.426 1.00 75.33 O ATOM 587 CB THR A 37 18.834 0.903 -4.157 1.00 1.14 C ATOM 588 OG1 THR A 37 19.660 1.591 -3.211 1.00 43.50 O ATOM 589 CG2 THR A 37 19.475 -0.427 -4.524 1.00 34.05 C ATOM 0 H THR A 37 18.012 0.322 -6.789 1.00 33.14 H new ATOM 0 HA THR A 37 18.208 2.736 -5.108 1.00 62.30 H new ATOM 0 HB THR A 37 17.858 0.708 -3.713 1.00 1.14 H new ATOM 0 HG1 THR A 37 20.430 1.983 -3.673 1.00 43.50 H new ATOM 0 HG21 THR A 37 19.611 -1.026 -3.624 1.00 34.05 H new ATOM 0 HG22 THR A 37 18.830 -0.962 -5.221 1.00 34.05 H new ATOM 0 HG23 THR A 37 20.444 -0.248 -4.990 1.00 34.05 H new ATOM 597 N ASN A 38 19.950 2.170 -7.403 1.00 13.00 N ATOM 598 CA ASN A 38 21.171 2.395 -8.168 1.00 54.41 C ATOM 599 C ASN A 38 20.860 3.067 -9.502 1.00 43.23 C ATOM 600 O ASN A 38 19.957 2.648 -10.226 1.00 64.44 O ATOM 601 CB ASN A 38 21.899 1.071 -8.408 1.00 54.22 C ATOM 602 CG ASN A 38 23.272 1.041 -7.765 1.00 53.52 C ATOM 603 OD1 ASN A 38 23.482 1.616 -6.697 1.00 34.13 O ATOM 604 ND2 ASN A 38 24.215 0.370 -8.415 1.00 71.25 N ATOM 0 H ASN A 38 19.098 2.155 -7.963 1.00 13.00 H new ATOM 0 HA ASN A 38 21.816 3.056 -7.590 1.00 54.41 H new ATOM 0 HB2 ASN A 38 21.298 0.252 -8.013 1.00 54.22 H new ATOM 0 HB3 ASN A 38 21.999 0.904 -9.480 1.00 54.22 H new ATOM 0 HD21 ASN A 38 25.159 0.316 -8.032 1.00 71.25 H new ATOM 0 HD22 ASN A 38 23.996 -0.092 -9.298 1.00 71.25 H new ATOM 611 N LYS A 39 21.616 4.113 -9.822 1.00 34.33 N ATOM 612 CA LYS A 39 21.424 4.843 -11.069 1.00 61.22 C ATOM 613 C LYS A 39 22.106 4.125 -12.230 1.00 1.33 C ATOM 614 O LYS A 39 21.686 4.248 -13.380 1.00 72.55 O ATOM 615 CB LYS A 39 21.974 6.265 -10.941 1.00 40.22 C ATOM 616 CG LYS A 39 21.016 7.335 -11.437 1.00 61.40 C ATOM 617 CD LYS A 39 21.718 8.670 -11.621 1.00 72.31 C ATOM 618 CE LYS A 39 21.086 9.755 -10.763 1.00 34.44 C ATOM 619 NZ LYS A 39 21.299 9.507 -9.310 1.00 21.12 N ATOM 0 H LYS A 39 22.367 4.474 -9.234 1.00 34.33 H new ATOM 0 HA LYS A 39 20.354 4.891 -11.272 1.00 61.22 H new ATOM 0 HB2 LYS A 39 22.214 6.460 -9.896 1.00 40.22 H new ATOM 0 HB3 LYS A 39 22.907 6.337 -11.501 1.00 40.22 H new ATOM 0 HG2 LYS A 39 20.576 7.021 -12.384 1.00 61.40 H new ATOM 0 HG3 LYS A 39 20.197 7.448 -10.727 1.00 61.40 H new ATOM 0 HD2 LYS A 39 22.772 8.567 -11.361 1.00 72.31 H new ATOM 0 HD3 LYS A 39 21.675 8.963 -12.670 1.00 72.31 H new ATOM 0 HE2 LYS A 39 21.509 10.723 -11.032 1.00 34.44 H new ATOM 0 HE3 LYS A 39 20.017 9.805 -10.970 1.00 34.44 H new ATOM 0 HZ1 LYS A 39 20.898 10.294 -8.761 1.00 21.12 H new ATOM 0 HZ2 LYS A 39 20.830 8.620 -9.037 1.00 21.12 H new ATOM 0 HZ3 LYS A 39 22.318 9.434 -9.116 1.00 21.12 H new ATOM 633 N ASP A 40 23.159 3.376 -11.920 1.00 15.43 N ATOM 634 CA ASP A 40 23.897 2.637 -12.937 1.00 20.12 C ATOM 635 C ASP A 40 23.281 1.260 -13.162 1.00 73.22 C ATOM 636 O ASP A 40 23.784 0.466 -13.957 1.00 44.33 O ATOM 637 CB ASP A 40 25.364 2.492 -12.528 1.00 52.34 C ATOM 638 CG ASP A 40 26.294 3.291 -13.420 1.00 4.03 C ATOM 639 OD1 ASP A 40 26.469 2.903 -14.594 1.00 13.23 O ATOM 640 OD2 ASP A 40 26.849 4.304 -12.943 1.00 62.50 O ATOM 0 H ASP A 40 23.520 3.265 -10.973 1.00 15.43 H new ATOM 0 HA ASP A 40 23.841 3.197 -13.870 1.00 20.12 H new ATOM 0 HB2 ASP A 40 25.485 2.820 -11.495 1.00 52.34 H new ATOM 0 HB3 ASP A 40 25.646 1.440 -12.563 1.00 52.34 H new ATOM 645 N TRP A 41 22.190 0.983 -12.457 1.00 0.10 N ATOM 646 CA TRP A 41 21.506 -0.299 -12.579 1.00 73.14 C ATOM 647 C TRP A 41 20.007 -0.140 -12.352 1.00 34.14 C ATOM 648 O TRP A 41 19.572 0.248 -11.267 1.00 23.40 O ATOM 649 CB TRP A 41 22.082 -1.305 -11.582 1.00 32.32 C ATOM 650 CG TRP A 41 21.800 -2.731 -11.946 1.00 73.44 C ATOM 651 CD1 TRP A 41 20.651 -3.428 -11.702 1.00 31.14 C ATOM 652 CD2 TRP A 41 22.683 -3.635 -12.620 1.00 4.35 C ATOM 653 NE1 TRP A 41 20.767 -4.710 -12.182 1.00 62.20 N ATOM 654 CE2 TRP A 41 22.004 -4.862 -12.750 1.00 42.24 C ATOM 655 CE3 TRP A 41 23.981 -3.526 -13.126 1.00 41.12 C ATOM 656 CZ2 TRP A 41 22.581 -5.970 -13.366 1.00 1.35 C ATOM 657 CZ3 TRP A 41 24.552 -4.626 -13.736 1.00 64.41 C ATOM 658 CH2 TRP A 41 23.853 -5.835 -13.852 1.00 51.04 C ATOM 0 H TRP A 41 21.760 1.629 -11.795 1.00 0.10 H new ATOM 0 HA TRP A 41 21.663 -0.671 -13.591 1.00 73.14 H new ATOM 0 HB2 TRP A 41 23.160 -1.161 -11.514 1.00 32.32 H new ATOM 0 HB3 TRP A 41 21.671 -1.102 -10.593 1.00 32.32 H new ATOM 0 HD1 TRP A 41 19.779 -3.030 -11.205 1.00 31.14 H new ATOM 0 HE1 TRP A 41 20.048 -5.432 -12.125 1.00 62.20 H new ATOM 0 HE3 TRP A 41 24.528 -2.599 -13.042 1.00 41.12 H new ATOM 0 HZ2 TRP A 41 22.044 -6.902 -13.457 1.00 1.35 H new ATOM 0 HZ3 TRP A 41 25.555 -4.553 -14.130 1.00 64.41 H new ATOM 0 HH2 TRP A 41 24.328 -6.677 -14.334 1.00 51.04 H new ATOM 669 N TRP A 42 19.221 -0.442 -13.379 1.00 43.33 N ATOM 670 CA TRP A 42 17.770 -0.332 -13.290 1.00 13.23 C ATOM 671 C TRP A 42 17.117 -1.709 -13.317 1.00 31.44 C ATOM 672 O TRP A 42 17.454 -2.551 -14.149 1.00 71.34 O ATOM 673 CB TRP A 42 17.231 0.524 -14.437 1.00 13.10 C ATOM 674 CG TRP A 42 17.988 1.803 -14.631 1.00 23.30 C ATOM 675 CD1 TRP A 42 18.489 2.615 -13.654 1.00 13.11 C ATOM 676 CD2 TRP A 42 18.329 2.416 -15.879 1.00 64.30 C ATOM 677 NE1 TRP A 42 19.120 3.696 -14.219 1.00 44.45 N ATOM 678 CE2 TRP A 42 19.037 3.597 -15.583 1.00 44.11 C ATOM 679 CE3 TRP A 42 18.108 2.081 -17.217 1.00 73.15 C ATOM 680 CZ2 TRP A 42 19.522 4.443 -16.577 1.00 63.33 C ATOM 681 CZ3 TRP A 42 18.589 2.921 -18.203 1.00 4.41 C ATOM 682 CH2 TRP A 42 19.291 4.090 -17.879 1.00 53.41 C ATOM 0 H TRP A 42 19.565 -0.765 -14.283 1.00 43.33 H new ATOM 0 HA TRP A 42 17.525 0.147 -12.342 1.00 13.23 H new ATOM 0 HB2 TRP A 42 17.267 -0.054 -15.360 1.00 13.10 H new ATOM 0 HB3 TRP A 42 16.183 0.756 -14.246 1.00 13.10 H new ATOM 0 HD1 TRP A 42 18.402 2.434 -12.593 1.00 13.11 H new ATOM 0 HE1 TRP A 42 19.577 4.450 -13.706 1.00 44.45 H new ATOM 0 HE3 TRP A 42 17.570 1.181 -17.476 1.00 73.15 H new ATOM 0 HZ2 TRP A 42 20.061 5.345 -16.329 1.00 63.33 H new ATOM 0 HZ3 TRP A 42 18.421 2.673 -19.241 1.00 4.41 H new ATOM 0 HH2 TRP A 42 19.657 4.725 -18.672 1.00 53.41 H new ATOM 693 N LYS A 43 16.181 -1.934 -12.401 1.00 13.21 N ATOM 694 CA LYS A 43 15.479 -3.209 -12.320 1.00 73.21 C ATOM 695 C LYS A 43 13.969 -2.997 -12.264 1.00 42.11 C ATOM 696 O LYS A 43 13.448 -2.421 -11.309 1.00 23.12 O ATOM 697 CB LYS A 43 15.940 -3.992 -11.089 1.00 4.23 C ATOM 698 CG LYS A 43 15.750 -5.493 -11.216 1.00 25.40 C ATOM 699 CD LYS A 43 17.019 -6.248 -10.857 1.00 65.34 C ATOM 700 CE LYS A 43 17.113 -7.569 -11.607 1.00 2.41 C ATOM 701 NZ LYS A 43 17.159 -8.732 -10.678 1.00 3.41 N ATOM 0 H LYS A 43 15.891 -1.249 -11.703 1.00 13.21 H new ATOM 0 HA LYS A 43 15.715 -3.782 -13.217 1.00 73.21 H new ATOM 0 HB2 LYS A 43 16.994 -3.782 -10.909 1.00 4.23 H new ATOM 0 HB3 LYS A 43 15.391 -3.637 -10.217 1.00 4.23 H new ATOM 0 HG2 LYS A 43 14.938 -5.814 -10.564 1.00 25.40 H new ATOM 0 HG3 LYS A 43 15.456 -5.738 -12.236 1.00 25.40 H new ATOM 0 HD2 LYS A 43 17.888 -5.633 -11.091 1.00 65.34 H new ATOM 0 HD3 LYS A 43 17.041 -6.436 -9.783 1.00 65.34 H new ATOM 0 HE2 LYS A 43 16.256 -7.670 -12.273 1.00 2.41 H new ATOM 0 HE3 LYS A 43 18.005 -7.569 -12.233 1.00 2.41 H new ATOM 0 HZ1 LYS A 43 17.223 -9.613 -11.227 1.00 3.41 H new ATOM 0 HZ2 LYS A 43 17.990 -8.649 -10.059 1.00 3.41 H new ATOM 0 HZ3 LYS A 43 16.296 -8.747 -10.098 1.00 3.41 H new ATOM 715 N VAL A 44 13.271 -3.467 -13.293 1.00 44.23 N ATOM 716 CA VAL A 44 11.821 -3.331 -13.360 1.00 3.43 C ATOM 717 C VAL A 44 11.180 -4.571 -13.973 1.00 4.52 C ATOM 718 O VAL A 44 11.775 -5.232 -14.823 1.00 53.35 O ATOM 719 CB VAL A 44 11.411 -2.094 -14.181 1.00 73.35 C ATOM 720 CG1 VAL A 44 11.784 -2.277 -15.645 1.00 21.34 C ATOM 721 CG2 VAL A 44 9.921 -1.827 -14.032 1.00 54.24 C ATOM 0 H VAL A 44 13.687 -3.946 -14.092 1.00 44.23 H new ATOM 0 HA VAL A 44 11.466 -3.212 -12.336 1.00 3.43 H new ATOM 0 HB VAL A 44 11.953 -1.229 -13.798 1.00 73.35 H new ATOM 0 HG11 VAL A 44 11.487 -1.393 -16.209 1.00 21.34 H new ATOM 0 HG12 VAL A 44 12.862 -2.417 -15.731 1.00 21.34 H new ATOM 0 HG13 VAL A 44 11.271 -3.152 -16.044 1.00 21.34 H new ATOM 0 HG21 VAL A 44 9.648 -0.950 -14.618 1.00 54.24 H new ATOM 0 HG22 VAL A 44 9.359 -2.691 -14.388 1.00 54.24 H new ATOM 0 HG23 VAL A 44 9.686 -1.649 -12.983 1.00 54.24 H new ATOM 731 N GLU A 45 9.964 -4.879 -13.535 1.00 32.33 N ATOM 732 CA GLU A 45 9.242 -6.041 -14.041 1.00 43.10 C ATOM 733 C GLU A 45 7.744 -5.761 -14.116 1.00 42.43 C ATOM 734 O GLU A 45 7.162 -5.184 -13.198 1.00 2.34 O ATOM 735 CB GLU A 45 9.500 -7.258 -13.150 1.00 5.41 C ATOM 736 CG GLU A 45 10.838 -7.931 -13.411 1.00 14.52 C ATOM 737 CD GLU A 45 11.182 -8.971 -12.362 1.00 52.54 C ATOM 738 OE1 GLU A 45 10.981 -8.691 -11.162 1.00 13.21 O ATOM 739 OE2 GLU A 45 11.652 -10.063 -12.742 1.00 21.22 O ATOM 0 H GLU A 45 9.458 -4.341 -12.832 1.00 32.33 H new ATOM 0 HA GLU A 45 9.606 -6.252 -15.047 1.00 43.10 H new ATOM 0 HB2 GLU A 45 9.456 -6.949 -12.106 1.00 5.41 H new ATOM 0 HB3 GLU A 45 8.702 -7.985 -13.302 1.00 5.41 H new ATOM 0 HG2 GLU A 45 10.817 -8.404 -14.393 1.00 14.52 H new ATOM 0 HG3 GLU A 45 11.622 -7.174 -13.438 1.00 14.52 H new ATOM 746 N VAL A 46 7.126 -6.173 -15.218 1.00 54.23 N ATOM 747 CA VAL A 46 5.696 -5.967 -15.415 1.00 34.23 C ATOM 748 C VAL A 46 4.997 -7.274 -15.773 1.00 53.35 C ATOM 749 O VAL A 46 5.351 -7.931 -16.751 1.00 43.11 O ATOM 750 CB VAL A 46 5.424 -4.932 -16.522 1.00 43.32 C ATOM 751 CG1 VAL A 46 6.107 -5.343 -17.817 1.00 63.54 C ATOM 752 CG2 VAL A 46 3.928 -4.756 -16.732 1.00 12.25 C ATOM 0 H VAL A 46 7.593 -6.651 -15.988 1.00 54.23 H new ATOM 0 HA VAL A 46 5.298 -5.591 -14.472 1.00 34.23 H new ATOM 0 HB VAL A 46 5.839 -3.974 -16.208 1.00 43.32 H new ATOM 0 HG11 VAL A 46 5.903 -4.599 -18.588 1.00 63.54 H new ATOM 0 HG12 VAL A 46 7.183 -5.412 -17.655 1.00 63.54 H new ATOM 0 HG13 VAL A 46 5.725 -6.312 -18.138 1.00 63.54 H new ATOM 0 HG21 VAL A 46 3.755 -4.021 -17.518 1.00 12.25 H new ATOM 0 HG22 VAL A 46 3.487 -5.709 -17.023 1.00 12.25 H new ATOM 0 HG23 VAL A 46 3.469 -4.412 -15.806 1.00 12.25 H new ATOM 762 N ASN A 47 4.001 -7.644 -14.975 1.00 75.13 N ATOM 763 CA ASN A 47 3.251 -8.873 -15.209 1.00 32.14 C ATOM 764 C ASN A 47 4.117 -10.099 -14.937 1.00 4.12 C ATOM 765 O ASN A 47 3.970 -10.761 -13.909 1.00 41.50 O ATOM 766 CB ASN A 47 2.730 -8.912 -16.647 1.00 15.14 C ATOM 767 CG ASN A 47 1.215 -8.866 -16.714 1.00 42.41 C ATOM 768 OD1 ASN A 47 0.590 -7.923 -16.229 1.00 52.52 O ATOM 769 ND2 ASN A 47 0.619 -9.887 -17.317 1.00 75.04 N ATOM 0 H ASN A 47 3.694 -7.111 -14.161 1.00 75.13 H new ATOM 0 HA ASN A 47 2.404 -8.888 -14.523 1.00 32.14 H new ATOM 0 HB2 ASN A 47 3.141 -8.069 -17.203 1.00 15.14 H new ATOM 0 HB3 ASN A 47 3.085 -9.820 -17.135 1.00 15.14 H new ATOM 0 HD21 ASN A 47 -0.398 -9.912 -17.393 1.00 75.04 H new ATOM 0 HD22 ASN A 47 1.178 -10.647 -17.705 1.00 75.04 H new ATOM 776 N ASP A 48 5.021 -10.395 -15.864 1.00 61.13 N ATOM 777 CA ASP A 48 5.913 -11.540 -15.725 1.00 22.24 C ATOM 778 C ASP A 48 7.112 -11.412 -16.659 1.00 62.20 C ATOM 779 O ASP A 48 7.708 -12.412 -17.060 1.00 43.25 O ATOM 780 CB ASP A 48 5.160 -12.839 -16.016 1.00 61.11 C ATOM 781 CG ASP A 48 4.436 -13.375 -14.797 1.00 12.53 C ATOM 782 OD1 ASP A 48 5.042 -13.388 -13.705 1.00 31.43 O ATOM 783 OD2 ASP A 48 3.262 -13.779 -14.934 1.00 45.11 O ATOM 0 H ASP A 48 5.156 -9.858 -16.720 1.00 61.13 H new ATOM 0 HA ASP A 48 6.277 -11.563 -14.698 1.00 22.24 H new ATOM 0 HB2 ASP A 48 4.440 -12.666 -16.816 1.00 61.11 H new ATOM 0 HB3 ASP A 48 5.863 -13.590 -16.377 1.00 61.11 H new ATOM 788 N ARG A 49 7.459 -10.176 -17.002 1.00 62.01 N ATOM 789 CA ARG A 49 8.585 -9.918 -17.891 1.00 44.52 C ATOM 790 C ARG A 49 9.513 -8.859 -17.300 1.00 73.45 C ATOM 791 O ARG A 49 9.156 -8.174 -16.343 1.00 3.14 O ATOM 792 CB ARG A 49 8.085 -9.464 -19.264 1.00 3.32 C ATOM 793 CG ARG A 49 8.489 -10.393 -20.397 1.00 34.22 C ATOM 794 CD ARG A 49 7.761 -11.726 -20.310 1.00 5.13 C ATOM 795 NE ARG A 49 8.025 -12.570 -21.472 1.00 23.43 N ATOM 796 CZ ARG A 49 7.417 -12.420 -22.643 1.00 11.11 C ATOM 797 NH1 ARG A 49 6.515 -11.462 -22.807 1.00 33.22 N ATOM 798 NH2 ARG A 49 7.711 -13.228 -23.653 1.00 71.13 N ATOM 0 H ARG A 49 6.977 -9.338 -16.678 1.00 62.01 H new ATOM 0 HA ARG A 49 9.146 -10.846 -18.005 1.00 44.52 H new ATOM 0 HB2 ARG A 49 6.998 -9.387 -19.238 1.00 3.32 H new ATOM 0 HB3 ARG A 49 8.470 -8.465 -19.470 1.00 3.32 H new ATOM 0 HG2 ARG A 49 8.270 -9.919 -21.354 1.00 34.22 H new ATOM 0 HG3 ARG A 49 9.565 -10.562 -20.364 1.00 34.22 H new ATOM 0 HD2 ARG A 49 8.069 -12.249 -19.405 1.00 5.13 H new ATOM 0 HD3 ARG A 49 6.689 -11.549 -20.227 1.00 5.13 H new ATOM 0 HE ARG A 49 8.714 -13.316 -21.379 1.00 23.43 H new ATOM 0 HH11 ARG A 49 6.287 -10.838 -22.033 1.00 33.22 H new ATOM 0 HH12 ARG A 49 6.049 -11.349 -23.707 1.00 33.22 H new ATOM 0 HH21 ARG A 49 8.405 -13.966 -23.531 1.00 71.13 H new ATOM 0 HH22 ARG A 49 7.243 -13.112 -24.552 1.00 71.13 H new ATOM 812 N GLN A 50 10.703 -8.734 -17.879 1.00 11.25 N ATOM 813 CA GLN A 50 11.681 -7.760 -17.408 1.00 62.30 C ATOM 814 C GLN A 50 12.198 -6.907 -18.561 1.00 53.44 C ATOM 815 O GLN A 50 12.345 -7.386 -19.685 1.00 23.54 O ATOM 816 CB GLN A 50 12.849 -8.470 -16.721 1.00 32.43 C ATOM 817 CG GLN A 50 13.609 -9.417 -17.636 1.00 1.51 C ATOM 818 CD GLN A 50 15.045 -8.985 -17.858 1.00 43.03 C ATOM 819 OE1 GLN A 50 15.942 -9.359 -17.102 1.00 2.21 O ATOM 820 NE2 GLN A 50 15.271 -8.194 -18.900 1.00 43.54 N ATOM 0 H GLN A 50 11.013 -9.294 -18.673 1.00 11.25 H new ATOM 0 HA GLN A 50 11.188 -7.106 -16.689 1.00 62.30 H new ATOM 0 HB2 GLN A 50 13.540 -7.722 -16.332 1.00 32.43 H new ATOM 0 HB3 GLN A 50 12.471 -9.030 -15.866 1.00 32.43 H new ATOM 0 HG2 GLN A 50 13.597 -10.419 -17.207 1.00 1.51 H new ATOM 0 HG3 GLN A 50 13.098 -9.476 -18.597 1.00 1.51 H new ATOM 0 HE21 GLN A 50 14.498 -7.908 -19.501 1.00 43.54 H new ATOM 0 HE22 GLN A 50 16.218 -7.872 -19.100 1.00 43.54 H new ATOM 829 N GLY A 51 12.471 -5.637 -18.276 1.00 13.02 N ATOM 830 CA GLY A 51 12.967 -4.736 -19.300 1.00 23.43 C ATOM 831 C GLY A 51 13.903 -3.682 -18.741 1.00 35.50 C ATOM 832 O GLY A 51 14.325 -3.766 -17.588 1.00 2.34 O ATOM 0 H GLY A 51 12.357 -5.216 -17.354 1.00 13.02 H new ATOM 0 HA2 GLY A 51 13.488 -5.312 -20.065 1.00 23.43 H new ATOM 0 HA3 GLY A 51 12.124 -4.247 -19.789 1.00 23.43 H new ATOM 836 N PHE A 52 14.228 -2.688 -19.561 1.00 25.55 N ATOM 837 CA PHE A 52 15.122 -1.615 -19.142 1.00 43.25 C ATOM 838 C PHE A 52 14.362 -0.300 -18.998 1.00 1.34 C ATOM 839 O PHE A 52 13.706 0.158 -19.934 1.00 21.45 O ATOM 840 CB PHE A 52 16.262 -1.450 -20.150 1.00 51.20 C ATOM 841 CG PHE A 52 17.626 -1.490 -19.524 1.00 24.24 C ATOM 842 CD1 PHE A 52 18.057 -2.617 -18.842 1.00 64.35 C ATOM 843 CD2 PHE A 52 18.478 -0.402 -19.616 1.00 44.53 C ATOM 844 CE1 PHE A 52 19.312 -2.657 -18.264 1.00 42.45 C ATOM 845 CE2 PHE A 52 19.735 -0.435 -19.041 1.00 34.23 C ATOM 846 CZ PHE A 52 20.152 -1.565 -18.365 1.00 3.22 C ATOM 0 H PHE A 52 13.886 -2.603 -20.518 1.00 25.55 H new ATOM 0 HA PHE A 52 15.540 -1.882 -18.171 1.00 43.25 H new ATOM 0 HB2 PHE A 52 16.191 -2.239 -20.899 1.00 51.20 H new ATOM 0 HB3 PHE A 52 16.139 -0.502 -20.674 1.00 51.20 H new ATOM 0 HD1 PHE A 52 17.405 -3.474 -18.761 1.00 64.35 H new ATOM 0 HD2 PHE A 52 18.156 0.484 -20.144 1.00 44.53 H new ATOM 0 HE1 PHE A 52 19.635 -3.541 -17.734 1.00 42.45 H new ATOM 0 HE2 PHE A 52 20.389 0.421 -19.120 1.00 34.23 H new ATOM 0 HZ PHE A 52 21.134 -1.595 -17.916 1.00 3.22 H new ATOM 856 N VAL A 53 14.455 0.304 -17.817 1.00 21.32 N ATOM 857 CA VAL A 53 13.777 1.566 -17.548 1.00 3.30 C ATOM 858 C VAL A 53 14.718 2.563 -16.880 1.00 55.41 C ATOM 859 O VAL A 53 15.432 2.241 -15.931 1.00 30.23 O ATOM 860 CB VAL A 53 12.543 1.361 -16.650 1.00 71.41 C ATOM 861 CG1 VAL A 53 12.941 0.705 -15.337 1.00 20.43 C ATOM 862 CG2 VAL A 53 11.839 2.686 -16.402 1.00 34.15 C ATOM 0 H VAL A 53 14.994 -0.061 -17.031 1.00 21.32 H new ATOM 0 HA VAL A 53 13.454 1.963 -18.510 1.00 3.30 H new ATOM 0 HB VAL A 53 11.848 0.697 -17.164 1.00 71.41 H new ATOM 0 HG11 VAL A 53 12.056 0.568 -14.716 1.00 20.43 H new ATOM 0 HG12 VAL A 53 13.397 -0.265 -15.538 1.00 20.43 H new ATOM 0 HG13 VAL A 53 13.656 1.341 -14.815 1.00 20.43 H new ATOM 0 HG21 VAL A 53 10.969 2.522 -15.766 1.00 34.15 H new ATOM 0 HG22 VAL A 53 12.524 3.376 -15.909 1.00 34.15 H new ATOM 0 HG23 VAL A 53 11.518 3.111 -17.353 1.00 34.15 H new ATOM 872 N PRO A 54 14.719 3.806 -17.386 1.00 32.41 N ATOM 873 CA PRO A 54 15.566 4.877 -16.853 1.00 30.42 C ATOM 874 C PRO A 54 15.119 5.335 -15.469 1.00 54.10 C ATOM 875 O PRO A 54 14.169 6.106 -15.337 1.00 52.54 O ATOM 876 CB PRO A 54 15.394 6.006 -17.872 1.00 33.31 C ATOM 877 CG PRO A 54 14.064 5.754 -18.495 1.00 11.34 C ATOM 878 CD PRO A 54 13.893 4.261 -18.517 1.00 32.41 C ATOM 0 HA PRO A 54 16.599 4.554 -16.725 1.00 30.42 H new ATOM 0 HB2 PRO A 54 15.427 6.983 -17.390 1.00 33.31 H new ATOM 0 HB3 PRO A 54 16.189 5.992 -18.617 1.00 33.31 H new ATOM 0 HG2 PRO A 54 13.268 6.229 -17.922 1.00 11.34 H new ATOM 0 HG3 PRO A 54 14.021 6.167 -19.503 1.00 11.34 H new ATOM 0 HD2 PRO A 54 12.849 3.974 -18.393 1.00 32.41 H new ATOM 0 HD3 PRO A 54 14.231 3.832 -19.460 1.00 32.41 H new ATOM 886 N ALA A 55 15.809 4.856 -14.440 1.00 23.32 N ATOM 887 CA ALA A 55 15.484 5.219 -13.066 1.00 63.21 C ATOM 888 C ALA A 55 15.617 6.722 -12.850 1.00 12.44 C ATOM 889 O ALA A 55 14.890 7.310 -12.049 1.00 52.24 O ATOM 890 CB ALA A 55 16.379 4.463 -12.095 1.00 33.13 C ATOM 0 H ALA A 55 16.597 4.215 -14.532 1.00 23.32 H new ATOM 0 HA ALA A 55 14.447 4.942 -12.878 1.00 63.21 H new ATOM 0 HB1 ALA A 55 16.126 4.744 -11.073 1.00 33.13 H new ATOM 0 HB2 ALA A 55 16.232 3.391 -12.224 1.00 33.13 H new ATOM 0 HB3 ALA A 55 17.422 4.712 -12.292 1.00 33.13 H new ATOM 896 N ALA A 56 16.550 7.339 -13.568 1.00 31.15 N ATOM 897 CA ALA A 56 16.776 8.774 -13.455 1.00 4.45 C ATOM 898 C ALA A 56 15.621 9.562 -14.062 1.00 14.01 C ATOM 899 O ALA A 56 15.409 10.728 -13.729 1.00 52.42 O ATOM 900 CB ALA A 56 18.088 9.156 -14.125 1.00 52.20 C ATOM 0 H ALA A 56 17.161 6.867 -14.234 1.00 31.15 H new ATOM 0 HA ALA A 56 16.835 9.025 -12.396 1.00 4.45 H new ATOM 0 HB1 ALA A 56 18.244 10.231 -14.033 1.00 52.20 H new ATOM 0 HB2 ALA A 56 18.910 8.627 -13.643 1.00 52.20 H new ATOM 0 HB3 ALA A 56 18.051 8.884 -15.180 1.00 52.20 H new ATOM 906 N TYR A 57 14.876 8.918 -14.954 1.00 4.00 N ATOM 907 CA TYR A 57 13.744 9.560 -15.610 1.00 75.23 C ATOM 908 C TYR A 57 12.442 9.251 -14.877 1.00 21.25 C ATOM 909 O TYR A 57 11.355 9.356 -15.445 1.00 21.51 O ATOM 910 CB TYR A 57 13.643 9.100 -17.066 1.00 10.13 C ATOM 911 CG TYR A 57 14.698 9.702 -17.965 1.00 45.53 C ATOM 912 CD1 TYR A 57 16.048 9.453 -17.749 1.00 62.21 C ATOM 913 CD2 TYR A 57 14.346 10.522 -19.031 1.00 24.14 C ATOM 914 CE1 TYR A 57 17.016 10.001 -18.568 1.00 2.51 C ATOM 915 CE2 TYR A 57 15.307 11.074 -19.855 1.00 65.44 C ATOM 916 CZ TYR A 57 16.641 10.811 -19.620 1.00 31.31 C ATOM 917 OH TYR A 57 17.601 11.360 -20.438 1.00 63.43 O ATOM 0 H TYR A 57 15.036 7.952 -15.239 1.00 4.00 H new ATOM 0 HA TYR A 57 13.907 10.638 -15.586 1.00 75.23 H new ATOM 0 HB2 TYR A 57 13.724 8.014 -17.102 1.00 10.13 H new ATOM 0 HB3 TYR A 57 12.657 9.359 -17.453 1.00 10.13 H new ATOM 0 HD1 TYR A 57 16.346 8.820 -16.926 1.00 62.21 H new ATOM 0 HD2 TYR A 57 13.303 10.731 -19.218 1.00 24.14 H new ATOM 0 HE1 TYR A 57 18.061 9.796 -18.386 1.00 2.51 H new ATOM 0 HE2 TYR A 57 15.016 11.708 -20.679 1.00 65.44 H new ATOM 0 HH TYR A 57 17.169 11.903 -21.130 1.00 63.43 H new ATOM 927 N VAL A 58 12.561 8.870 -13.609 1.00 24.34 N ATOM 928 CA VAL A 58 11.396 8.547 -12.795 1.00 32.35 C ATOM 929 C VAL A 58 11.626 8.918 -11.334 1.00 32.42 C ATOM 930 O VAL A 58 12.747 9.228 -10.929 1.00 75.23 O ATOM 931 CB VAL A 58 11.046 7.049 -12.884 1.00 4.33 C ATOM 932 CG1 VAL A 58 10.601 6.688 -14.292 1.00 71.34 C ATOM 933 CG2 VAL A 58 12.233 6.199 -12.456 1.00 44.33 C ATOM 0 H VAL A 58 13.453 8.778 -13.123 1.00 24.34 H new ATOM 0 HA VAL A 58 10.564 9.131 -13.188 1.00 32.35 H new ATOM 0 HB VAL A 58 10.219 6.845 -12.204 1.00 4.33 H new ATOM 0 HG11 VAL A 58 10.358 5.626 -14.336 1.00 71.34 H new ATOM 0 HG12 VAL A 58 9.720 7.273 -14.556 1.00 71.34 H new ATOM 0 HG13 VAL A 58 11.405 6.905 -14.995 1.00 71.34 H new ATOM 0 HG21 VAL A 58 11.969 5.144 -12.525 1.00 44.33 H new ATOM 0 HG22 VAL A 58 13.081 6.404 -13.109 1.00 44.33 H new ATOM 0 HG23 VAL A 58 12.501 6.440 -11.427 1.00 44.33 H new ATOM 943 N LYS A 59 10.557 8.883 -10.545 1.00 41.20 N ATOM 944 CA LYS A 59 10.641 9.214 -9.127 1.00 71.34 C ATOM 945 C LYS A 59 9.707 8.330 -8.307 1.00 23.14 C ATOM 946 O LYS A 59 8.493 8.332 -8.512 1.00 3.01 O ATOM 947 CB LYS A 59 10.292 10.687 -8.905 1.00 4.13 C ATOM 948 CG LYS A 59 11.492 11.549 -8.550 1.00 33.24 C ATOM 949 CD LYS A 59 11.876 12.469 -9.696 1.00 64.21 C ATOM 950 CE LYS A 59 13.373 12.740 -9.715 1.00 71.11 C ATOM 951 NZ LYS A 59 13.700 13.993 -10.450 1.00 64.11 N ATOM 0 H LYS A 59 9.622 8.629 -10.864 1.00 41.20 H new ATOM 0 HA LYS A 59 11.665 9.036 -8.797 1.00 71.34 H new ATOM 0 HB2 LYS A 59 9.826 11.082 -9.808 1.00 4.13 H new ATOM 0 HB3 LYS A 59 9.553 10.761 -8.107 1.00 4.13 H new ATOM 0 HG2 LYS A 59 11.265 12.144 -7.665 1.00 33.24 H new ATOM 0 HG3 LYS A 59 12.338 10.910 -8.296 1.00 33.24 H new ATOM 0 HD2 LYS A 59 11.574 12.019 -10.642 1.00 64.21 H new ATOM 0 HD3 LYS A 59 11.336 13.411 -9.605 1.00 64.21 H new ATOM 0 HE2 LYS A 59 13.742 12.812 -8.692 1.00 71.11 H new ATOM 0 HE3 LYS A 59 13.888 11.900 -10.181 1.00 71.11 H new ATOM 0 HZ1 LYS A 59 14.729 14.143 -10.441 1.00 64.11 H new ATOM 0 HZ2 LYS A 59 13.371 13.915 -11.433 1.00 64.11 H new ATOM 0 HZ3 LYS A 59 13.229 14.798 -9.990 1.00 64.11 H new ATOM 965 N LYS A 60 10.281 7.576 -7.375 1.00 31.20 N ATOM 966 CA LYS A 60 9.501 6.689 -6.520 1.00 74.24 C ATOM 967 C LYS A 60 9.383 7.257 -5.110 1.00 21.13 C ATOM 968 O LYS A 60 10.283 7.948 -4.631 1.00 22.13 O ATOM 969 CB LYS A 60 10.142 5.300 -6.471 1.00 1.33 C ATOM 970 CG LYS A 60 11.659 5.329 -6.532 1.00 65.21 C ATOM 971 CD LYS A 60 12.253 6.042 -5.329 1.00 11.21 C ATOM 972 CE LYS A 60 13.604 5.459 -4.946 1.00 4.02 C ATOM 973 NZ LYS A 60 14.149 6.086 -3.710 1.00 12.03 N ATOM 0 H LYS A 60 11.284 7.562 -7.193 1.00 31.20 H new ATOM 0 HA LYS A 60 8.500 6.605 -6.943 1.00 74.24 H new ATOM 0 HB2 LYS A 60 9.833 4.798 -5.554 1.00 1.33 H new ATOM 0 HB3 LYS A 60 9.764 4.705 -7.303 1.00 1.33 H new ATOM 0 HG2 LYS A 60 12.042 4.309 -6.577 1.00 65.21 H new ATOM 0 HG3 LYS A 60 11.978 5.830 -7.446 1.00 65.21 H new ATOM 0 HD2 LYS A 60 12.364 7.103 -5.552 1.00 11.21 H new ATOM 0 HD3 LYS A 60 11.569 5.963 -4.484 1.00 11.21 H new ATOM 0 HE2 LYS A 60 13.506 4.384 -4.795 1.00 4.02 H new ATOM 0 HE3 LYS A 60 14.307 5.603 -5.766 1.00 4.02 H new ATOM 0 HZ1 LYS A 60 15.071 5.661 -3.483 1.00 12.03 H new ATOM 0 HZ2 LYS A 60 14.267 7.108 -3.862 1.00 12.03 H new ATOM 0 HZ3 LYS A 60 13.491 5.927 -2.921 1.00 12.03 H new ATOM 987 N LEU A 61 8.270 6.961 -4.449 1.00 34.35 N ATOM 988 CA LEU A 61 8.035 7.441 -3.091 1.00 62.21 C ATOM 989 C LEU A 61 8.244 8.949 -3.003 1.00 44.12 C ATOM 990 O LEU A 61 8.857 9.447 -2.058 1.00 62.15 O ATOM 991 CB LEU A 61 8.966 6.727 -2.109 1.00 13.22 C ATOM 992 CG LEU A 61 8.566 5.304 -1.719 1.00 20.21 C ATOM 993 CD1 LEU A 61 8.920 4.327 -2.830 1.00 33.15 C ATOM 994 CD2 LEU A 61 9.239 4.899 -0.416 1.00 21.14 C ATOM 0 H LEU A 61 7.515 6.391 -4.831 1.00 34.35 H new ATOM 0 HA LEU A 61 7.001 7.220 -2.827 1.00 62.21 H new ATOM 0 HB2 LEU A 61 9.965 6.696 -2.544 1.00 13.22 H new ATOM 0 HB3 LEU A 61 9.032 7.326 -1.201 1.00 13.22 H new ATOM 0 HG LEU A 61 7.486 5.278 -1.570 1.00 20.21 H new ATOM 0 HD11 LEU A 61 8.628 3.319 -2.535 1.00 33.15 H new ATOM 0 HD12 LEU A 61 8.391 4.606 -3.742 1.00 33.15 H new ATOM 0 HD13 LEU A 61 9.995 4.355 -3.011 1.00 33.15 H new ATOM 0 HD21 LEU A 61 8.943 3.883 -0.154 1.00 21.14 H new ATOM 0 HD22 LEU A 61 10.321 4.941 -0.537 1.00 21.14 H new ATOM 0 HD23 LEU A 61 8.936 5.582 0.378 1.00 21.14 H new ATOM 1006 N ASP A 62 7.730 9.671 -3.992 1.00 51.15 N ATOM 1007 CA ASP A 62 7.857 11.123 -4.026 1.00 2.44 C ATOM 1008 C ASP A 62 6.963 11.723 -5.106 1.00 61.25 C ATOM 1009 O ASP A 62 6.601 11.018 -6.048 1.00 3.34 O ATOM 1010 CB ASP A 62 9.313 11.524 -4.271 1.00 31.44 C ATOM 1011 CG ASP A 62 9.769 12.639 -3.351 1.00 43.32 C ATOM 1012 OD1 ASP A 62 9.673 12.468 -2.118 1.00 42.12 O ATOM 1013 OD2 ASP A 62 10.222 13.684 -3.865 1.00 14.22 O ATOM 0 H ASP A 62 7.221 9.274 -4.782 1.00 51.15 H new ATOM 0 HA ASP A 62 7.539 11.512 -3.059 1.00 2.44 H new ATOM 0 HB2 ASP A 62 9.955 10.655 -4.129 1.00 31.44 H new ATOM 0 HB3 ASP A 62 9.430 11.841 -5.307 1.00 31.44 H new