USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.212! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 33:sc= 0.28 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0052 X(o=-0.0052,f=-0.46) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0401 K(o=-0.04,f=-0.62) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00413 USER MOD Single : A 46 GLN : amide:sc= -0.937 K(o=-0.94,f=-4.3!) USER MOD Single : A 49 SER OG : rot 120:sc= -0.75 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.55) USER MOD Single : A 71 SER OG : rot -88:sc= 0.622 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00999) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= -0.156 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.126 -18.996 -4.651 1.00 0.00 N ATOM 2 CA GLY A 1 8.572 -19.018 -4.522 1.00 0.00 C ATOM 3 C GLY A 1 9.155 -17.638 -4.297 1.00 0.00 C ATOM 4 O GLY A 1 9.536 -17.292 -3.179 1.00 0.00 O ATOM 0 H1 GLY A 1 6.776 -19.964 -4.803 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.706 -18.609 -3.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.859 -18.400 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.850 -19.666 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.007 -19.451 -5.423 1.00 0.00 H new ATOM 8 N SER A 2 9.227 -16.847 -5.363 1.00 0.00 N ATOM 9 CA SER A 2 9.774 -15.497 -5.279 1.00 0.00 C ATOM 10 C SER A 2 8.680 -14.454 -5.485 1.00 0.00 C ATOM 11 O SER A 2 7.950 -14.492 -6.475 1.00 0.00 O ATOM 12 CB SER A 2 10.880 -15.306 -6.318 1.00 0.00 C ATOM 13 OG SER A 2 11.848 -16.337 -6.228 1.00 0.00 O ATOM 0 H SER A 2 8.913 -17.117 -6.295 1.00 0.00 H new ATOM 0 HA SER A 2 10.196 -15.364 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.446 -15.297 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.360 -14.339 -6.169 1.00 0.00 H new ATOM 0 HG SER A 2 12.543 -16.193 -6.904 1.00 0.00 H new ATOM 19 N SER A 3 8.574 -13.523 -4.543 1.00 0.00 N ATOM 20 CA SER A 3 7.567 -12.470 -4.619 1.00 0.00 C ATOM 21 C SER A 3 7.797 -11.586 -5.840 1.00 0.00 C ATOM 22 O SER A 3 8.858 -11.628 -6.461 1.00 0.00 O ATOM 23 CB SER A 3 7.591 -11.620 -3.347 1.00 0.00 C ATOM 24 OG SER A 3 6.780 -12.191 -2.336 1.00 0.00 O ATOM 0 H SER A 3 9.172 -13.476 -3.718 1.00 0.00 H new ATOM 0 HA SER A 3 6.589 -12.942 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.616 -11.528 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.241 -10.613 -3.573 1.00 0.00 H new ATOM 0 HG SER A 3 6.814 -11.630 -1.533 1.00 0.00 H new ATOM 30 N GLY A 4 6.792 -10.783 -6.180 1.00 0.00 N ATOM 31 CA GLY A 4 6.903 -9.900 -7.325 1.00 0.00 C ATOM 32 C GLY A 4 8.088 -8.960 -7.221 1.00 0.00 C ATOM 33 O GLY A 4 8.288 -8.314 -6.192 1.00 0.00 O ATOM 0 H GLY A 4 5.903 -10.729 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.995 -10.497 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.987 -9.316 -7.419 1.00 0.00 H new ATOM 37 N SER A 5 8.878 -8.885 -8.287 1.00 0.00 N ATOM 38 CA SER A 5 10.053 -8.023 -8.309 1.00 0.00 C ATOM 39 C SER A 5 9.712 -6.628 -7.794 1.00 0.00 C ATOM 40 O SER A 5 10.405 -6.086 -6.932 1.00 0.00 O ATOM 41 CB SER A 5 10.618 -7.931 -9.728 1.00 0.00 C ATOM 42 OG SER A 5 11.023 -9.204 -10.199 1.00 0.00 O ATOM 0 H SER A 5 8.725 -9.411 -9.147 1.00 0.00 H new ATOM 0 HA SER A 5 10.806 -8.460 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.864 -7.515 -10.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.467 -7.248 -9.741 1.00 0.00 H new ATOM 0 HG SER A 5 11.379 -9.118 -11.108 1.00 0.00 H new ATOM 48 N SER A 6 8.640 -6.052 -8.328 1.00 0.00 N ATOM 49 CA SER A 6 8.208 -4.718 -7.926 1.00 0.00 C ATOM 50 C SER A 6 6.798 -4.756 -7.345 1.00 0.00 C ATOM 51 O SER A 6 5.878 -5.299 -7.955 1.00 0.00 O ATOM 52 CB SER A 6 8.255 -3.763 -9.120 1.00 0.00 C ATOM 53 OG SER A 6 7.193 -4.021 -10.021 1.00 0.00 O ATOM 0 H SER A 6 8.054 -6.488 -9.040 1.00 0.00 H new ATOM 0 HA SER A 6 8.890 -4.358 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.196 -2.733 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.209 -3.869 -9.637 1.00 0.00 H new ATOM 0 HG SER A 6 6.553 -4.635 -9.605 1.00 0.00 H new ATOM 59 N GLY A 7 6.636 -4.174 -6.161 1.00 0.00 N ATOM 60 CA GLY A 7 5.336 -4.151 -5.516 1.00 0.00 C ATOM 61 C GLY A 7 5.310 -4.964 -4.237 1.00 0.00 C ATOM 62 O GLY A 7 4.679 -6.019 -4.177 1.00 0.00 O ATOM 0 H GLY A 7 7.382 -3.718 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.062 -3.120 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.585 -4.538 -6.205 1.00 0.00 H new ATOM 66 N SER A 8 5.997 -4.472 -3.211 1.00 0.00 N ATOM 67 CA SER A 8 6.054 -5.163 -1.928 1.00 0.00 C ATOM 68 C SER A 8 4.933 -4.691 -1.006 1.00 0.00 C ATOM 69 O SER A 8 5.169 -4.349 0.151 1.00 0.00 O ATOM 70 CB SER A 8 7.410 -4.931 -1.260 1.00 0.00 C ATOM 71 OG SER A 8 8.432 -5.668 -1.910 1.00 0.00 O ATOM 0 H SER A 8 6.522 -3.598 -3.243 1.00 0.00 H new ATOM 0 HA SER A 8 5.925 -6.230 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.653 -3.869 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.357 -5.224 -0.211 1.00 0.00 H new ATOM 0 HG SER A 8 9.289 -5.501 -1.465 1.00 0.00 H new ATOM 77 N GLY A 9 3.711 -4.676 -1.531 1.00 0.00 N ATOM 78 CA GLY A 9 2.571 -4.245 -0.743 1.00 0.00 C ATOM 79 C GLY A 9 2.652 -2.780 -0.361 1.00 0.00 C ATOM 80 O GLY A 9 3.052 -2.442 0.753 1.00 0.00 O ATOM 0 H GLY A 9 3.491 -4.954 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.655 -4.420 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.508 -4.850 0.161 1.00 0.00 H new ATOM 84 N TYR A 10 2.271 -1.907 -1.288 1.00 0.00 N ATOM 85 CA TYR A 10 2.306 -0.470 -1.044 1.00 0.00 C ATOM 86 C TYR A 10 1.098 0.218 -1.673 1.00 0.00 C ATOM 87 O TYR A 10 0.893 0.154 -2.885 1.00 0.00 O ATOM 88 CB TYR A 10 3.597 0.132 -1.601 1.00 0.00 C ATOM 89 CG TYR A 10 4.736 0.148 -0.606 1.00 0.00 C ATOM 90 CD1 TYR A 10 4.864 1.179 0.317 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.683 -0.868 -0.588 1.00 0.00 C ATOM 92 CE1 TYR A 10 5.903 1.199 1.227 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.725 -0.857 0.320 1.00 0.00 C ATOM 94 CZ TYR A 10 6.831 0.178 1.225 1.00 0.00 C ATOM 95 OH TYR A 10 7.866 0.193 2.130 1.00 0.00 O ATOM 0 H TYR A 10 1.935 -2.170 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 10 2.274 -0.309 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.902 -0.434 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.400 1.152 -1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.138 1.979 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.604 -1.680 -1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.988 2.009 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.453 -1.655 0.321 1.00 0.00 H new ATOM 0 HH TYR A 10 8.429 -0.598 1.996 1.00 0.00 H new ATOM 105 N VAL A 11 0.301 0.879 -0.839 1.00 0.00 N ATOM 106 CA VAL A 11 -0.885 1.582 -1.311 1.00 0.00 C ATOM 107 C VAL A 11 -0.817 3.066 -0.970 1.00 0.00 C ATOM 108 O VAL A 11 -0.301 3.449 0.080 1.00 0.00 O ATOM 109 CB VAL A 11 -2.169 0.986 -0.705 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.246 -0.508 -0.980 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.232 1.265 0.789 1.00 0.00 C ATOM 0 H VAL A 11 0.456 0.942 0.167 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.913 1.462 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.028 1.463 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.160 -0.912 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.250 -0.680 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.383 -1.005 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.146 0.837 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.368 0.817 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.227 2.342 0.959 1.00 0.00 H new ATOM 121 N ILE A 12 -1.342 3.898 -1.864 1.00 0.00 N ATOM 122 CA ILE A 12 -1.342 5.340 -1.657 1.00 0.00 C ATOM 123 C ILE A 12 -2.743 5.850 -1.336 1.00 0.00 C ATOM 124 O ILE A 12 -3.737 5.182 -1.620 1.00 0.00 O ATOM 125 CB ILE A 12 -0.807 6.087 -2.893 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.471 7.536 -2.535 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.825 6.037 -4.023 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.248 8.280 -3.639 1.00 0.00 C ATOM 0 H ILE A 12 -1.773 3.597 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.684 5.536 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 12 0.106 5.595 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.393 8.065 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.148 7.546 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.433 6.569 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.019 4.999 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.753 6.507 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.454 9.300 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.187 7.775 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.378 8.302 -4.531 1.00 0.00 H new ATOM 140 N ALA A 13 -2.814 7.038 -0.745 1.00 0.00 N ATOM 141 CA ALA A 13 -4.093 7.639 -0.389 1.00 0.00 C ATOM 142 C ALA A 13 -4.648 8.471 -1.541 1.00 0.00 C ATOM 143 O ALA A 13 -3.898 9.129 -2.262 1.00 0.00 O ATOM 144 CB ALA A 13 -3.945 8.495 0.859 1.00 0.00 C ATOM 0 H ALA A 13 -2.000 7.603 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.799 6.835 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.908 8.938 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.601 7.875 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.220 9.287 0.673 1.00 0.00 H new ATOM 150 N LEU A 14 -5.965 8.436 -1.708 1.00 0.00 N ATOM 151 CA LEU A 14 -6.621 9.187 -2.774 1.00 0.00 C ATOM 152 C LEU A 14 -7.244 10.470 -2.232 1.00 0.00 C ATOM 153 O LEU A 14 -7.302 11.485 -2.927 1.00 0.00 O ATOM 154 CB LEU A 14 -7.696 8.328 -3.443 1.00 0.00 C ATOM 155 CG LEU A 14 -7.244 6.955 -3.940 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.399 5.966 -3.901 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.676 7.058 -5.348 1.00 0.00 C ATOM 0 H LEU A 14 -6.600 7.896 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.866 9.455 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.512 8.185 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.102 8.883 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.458 6.591 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.058 4.994 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.761 5.870 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.207 6.324 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.359 6.071 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.441 7.444 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.820 7.733 -5.347 1.00 0.00 H new ATOM 169 N ARG A 15 -7.706 10.418 -0.987 1.00 0.00 N ATOM 170 CA ARG A 15 -8.323 11.576 -0.352 1.00 0.00 C ATOM 171 C ARG A 15 -7.685 11.855 1.006 1.00 0.00 C ATOM 172 O ARG A 15 -6.814 11.112 1.459 1.00 0.00 O ATOM 173 CB ARG A 15 -9.827 11.352 -0.184 1.00 0.00 C ATOM 174 CG ARG A 15 -10.188 9.937 0.240 1.00 0.00 C ATOM 175 CD ARG A 15 -11.516 9.900 0.979 1.00 0.00 C ATOM 176 NE ARG A 15 -12.650 9.804 0.063 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.887 10.165 0.384 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.148 10.645 1.592 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.866 10.048 -0.504 1.00 0.00 N ATOM 0 H ARG A 15 -7.665 9.586 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.161 12.441 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.210 12.053 0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.327 11.579 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.241 9.295 -0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.402 9.536 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.528 9.050 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.617 10.798 1.588 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.482 9.440 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.398 10.738 2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.099 10.922 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.669 9.680 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.816 10.326 -0.256 1.00 0.00 H new ATOM 193 N SER A 16 -8.125 12.931 1.651 1.00 0.00 N ATOM 194 CA SER A 16 -7.594 13.311 2.955 1.00 0.00 C ATOM 195 C SER A 16 -8.376 12.635 4.077 1.00 0.00 C ATOM 196 O SER A 16 -9.591 12.799 4.189 1.00 0.00 O ATOM 197 CB SER A 16 -7.644 14.831 3.126 1.00 0.00 C ATOM 198 OG SER A 16 -8.966 15.318 2.969 1.00 0.00 O ATOM 0 H SER A 16 -8.848 13.555 1.292 1.00 0.00 H new ATOM 0 HA SER A 16 -6.557 12.981 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.268 15.102 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.989 15.304 2.394 1.00 0.00 H new ATOM 0 HG SER A 16 -9.602 14.649 3.299 1.00 0.00 H new ATOM 204 N TYR A 17 -7.669 11.875 4.906 1.00 0.00 N ATOM 205 CA TYR A 17 -8.296 11.172 6.019 1.00 0.00 C ATOM 206 C TYR A 17 -7.769 11.687 7.355 1.00 0.00 C ATOM 207 O TYR A 17 -6.723 11.247 7.834 1.00 0.00 O ATOM 208 CB TYR A 17 -8.044 9.667 5.905 1.00 0.00 C ATOM 209 CG TYR A 17 -9.100 8.824 6.584 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.398 8.772 6.092 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.800 8.079 7.718 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.366 8.004 6.709 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.761 7.307 8.340 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.043 7.272 7.832 1.00 0.00 C ATOM 215 OH TYR A 17 -12.003 6.505 8.450 1.00 0.00 O ATOM 0 H TYR A 17 -6.662 11.730 4.828 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.369 11.359 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.995 9.394 4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.071 9.436 6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.655 9.342 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.798 8.104 8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.371 7.977 6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.510 6.733 9.220 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.611 6.052 9.226 1.00 0.00 H new ATOM 225 N ILE A 18 -8.502 12.621 7.952 1.00 0.00 N ATOM 226 CA ILE A 18 -8.110 13.195 9.233 1.00 0.00 C ATOM 227 C ILE A 18 -9.002 12.684 10.360 1.00 0.00 C ATOM 228 O ILE A 18 -10.228 12.773 10.286 1.00 0.00 O ATOM 229 CB ILE A 18 -8.171 14.734 9.203 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.303 15.277 8.067 1.00 0.00 C ATOM 231 CG2 ILE A 18 -7.725 15.308 10.539 1.00 0.00 C ATOM 232 CD1 ILE A 18 -5.819 15.102 8.303 1.00 0.00 C ATOM 0 H ILE A 18 -9.370 12.996 7.569 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.082 12.884 9.417 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.202 15.039 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.577 14.774 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.518 16.337 7.931 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.774 16.396 10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.381 14.942 11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.701 14.997 10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.265 15.510 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.531 15.628 9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.590 14.042 8.409 1.00 0.00 H new ATOM 244 N THR A 19 -8.378 12.150 11.405 1.00 0.00 N ATOM 245 CA THR A 19 -9.115 11.626 12.549 1.00 0.00 C ATOM 246 C THR A 19 -8.903 12.494 13.784 1.00 0.00 C ATOM 247 O THR A 19 -8.157 13.472 13.746 1.00 0.00 O ATOM 248 CB THR A 19 -8.694 10.180 12.873 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.517 10.183 13.688 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.431 9.394 11.597 1.00 0.00 C ATOM 0 H THR A 19 -7.364 12.069 11.483 1.00 0.00 H new ATOM 0 HA THR A 19 -10.171 11.637 12.278 1.00 0.00 H new ATOM 0 HB THR A 19 -9.509 9.701 13.415 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.166 9.271 13.759 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.135 8.376 11.851 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.337 9.368 10.992 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.632 9.874 11.032 1.00 0.00 H new ATOM 258 N ASP A 20 -9.563 12.129 14.878 1.00 0.00 N ATOM 259 CA ASP A 20 -9.445 12.873 16.126 1.00 0.00 C ATOM 260 C ASP A 20 -8.926 11.977 17.246 1.00 0.00 C ATOM 261 O ASP A 20 -8.682 12.439 18.361 1.00 0.00 O ATOM 262 CB ASP A 20 -10.797 13.470 16.518 1.00 0.00 C ATOM 263 CG ASP A 20 -11.842 12.406 16.793 1.00 0.00 C ATOM 264 OD1 ASP A 20 -12.200 11.668 15.851 1.00 0.00 O ATOM 265 OD2 ASP A 20 -12.300 12.311 17.951 1.00 0.00 O ATOM 0 H ASP A 20 -10.185 11.322 14.925 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.731 13.682 15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.673 14.091 17.405 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.148 14.122 15.719 1.00 0.00 H new ATOM 270 N ASN A 21 -8.761 10.694 16.943 1.00 0.00 N ATOM 271 CA ASN A 21 -8.272 9.733 17.925 1.00 0.00 C ATOM 272 C ASN A 21 -6.898 9.201 17.529 1.00 0.00 C ATOM 273 O ASN A 21 -6.369 9.545 16.471 1.00 0.00 O ATOM 274 CB ASN A 21 -9.259 8.572 18.067 1.00 0.00 C ATOM 275 CG ASN A 21 -10.510 8.967 18.829 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.438 9.646 19.853 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.665 8.541 18.331 1.00 0.00 N ATOM 0 H ASN A 21 -8.959 10.295 16.025 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.181 10.244 18.883 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.538 8.213 17.077 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.770 7.744 18.580 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.540 8.775 18.800 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.677 7.980 17.479 1.00 0.00 H new ATOM 284 N CYS A 22 -6.326 8.361 18.385 1.00 0.00 N ATOM 285 CA CYS A 22 -5.013 7.782 18.125 1.00 0.00 C ATOM 286 C CYS A 22 -5.144 6.407 17.478 1.00 0.00 C ATOM 287 O CYS A 22 -4.300 6.004 16.677 1.00 0.00 O ATOM 288 CB CYS A 22 -4.214 7.673 19.425 1.00 0.00 C ATOM 289 SG CYS A 22 -2.457 7.321 19.184 1.00 0.00 S ATOM 0 H CYS A 22 -6.751 8.066 19.264 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.483 8.439 17.436 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.314 8.606 19.980 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.650 6.887 20.042 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.866 7.250 20.340 1.00 0.00 H new ATOM 295 N SER A 23 -6.206 5.691 17.832 1.00 0.00 N ATOM 296 CA SER A 23 -6.445 4.358 17.290 1.00 0.00 C ATOM 297 C SER A 23 -6.350 4.366 15.767 1.00 0.00 C ATOM 298 O SER A 23 -5.691 3.515 15.169 1.00 0.00 O ATOM 299 CB SER A 23 -7.820 3.847 17.724 1.00 0.00 C ATOM 300 OG SER A 23 -7.844 3.567 19.113 1.00 0.00 O ATOM 0 H SER A 23 -6.915 6.011 18.492 1.00 0.00 H new ATOM 0 HA SER A 23 -5.677 3.690 17.681 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.580 4.592 17.487 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.070 2.946 17.164 1.00 0.00 H new ATOM 0 HG SER A 23 -8.734 3.244 19.366 1.00 0.00 H new ATOM 306 N LEU A 24 -7.014 5.334 15.145 1.00 0.00 N ATOM 307 CA LEU A 24 -7.006 5.455 13.691 1.00 0.00 C ATOM 308 C LEU A 24 -5.713 6.101 13.205 1.00 0.00 C ATOM 309 O LEU A 24 -4.905 6.576 14.005 1.00 0.00 O ATOM 310 CB LEU A 24 -8.208 6.277 13.221 1.00 0.00 C ATOM 311 CG LEU A 24 -9.580 5.782 13.680 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.661 6.785 13.307 1.00 0.00 C ATOM 313 CD2 LEU A 24 -9.884 4.418 13.077 1.00 0.00 C ATOM 0 H LEU A 24 -7.565 6.046 15.624 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.071 4.453 13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.079 7.302 13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.200 6.305 12.131 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.565 5.682 14.765 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.631 6.416 13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.451 7.741 13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.677 6.918 12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.864 4.081 13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.880 4.492 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.125 3.703 13.395 1.00 0.00 H new ATOM 325 N LEU A 25 -5.523 6.118 11.890 1.00 0.00 N ATOM 326 CA LEU A 25 -4.328 6.708 11.297 1.00 0.00 C ATOM 327 C LEU A 25 -4.671 7.989 10.542 1.00 0.00 C ATOM 328 O LEU A 25 -5.594 8.013 9.728 1.00 0.00 O ATOM 329 CB LEU A 25 -3.658 5.710 10.352 1.00 0.00 C ATOM 330 CG LEU A 25 -2.544 6.268 9.466 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.292 6.536 10.287 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.239 5.310 8.324 1.00 0.00 C ATOM 0 H LEU A 25 -6.181 5.730 11.214 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.637 6.956 12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.247 4.895 10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.425 5.279 9.709 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.884 7.212 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.510 6.933 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.518 7.261 11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.949 5.607 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.444 5.724 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.920 4.350 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.134 5.169 7.719 1.00 0.00 H new ATOM 344 N SER A 26 -3.920 9.050 10.817 1.00 0.00 N ATOM 345 CA SER A 26 -4.145 10.335 10.165 1.00 0.00 C ATOM 346 C SER A 26 -3.209 10.511 8.973 1.00 0.00 C ATOM 347 O SER A 26 -1.987 10.541 9.128 1.00 0.00 O ATOM 348 CB SER A 26 -3.942 11.479 11.160 1.00 0.00 C ATOM 349 OG SER A 26 -3.542 12.666 10.499 1.00 0.00 O ATOM 0 H SER A 26 -3.151 9.046 11.487 1.00 0.00 H new ATOM 0 HA SER A 26 -5.173 10.355 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.868 11.658 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.188 11.196 11.894 1.00 0.00 H new ATOM 0 HG SER A 26 -3.421 13.382 11.157 1.00 0.00 H new ATOM 355 N PHE A 27 -3.790 10.628 7.784 1.00 0.00 N ATOM 356 CA PHE A 27 -3.009 10.800 6.565 1.00 0.00 C ATOM 357 C PHE A 27 -3.774 11.634 5.541 1.00 0.00 C ATOM 358 O PHE A 27 -5.004 11.595 5.487 1.00 0.00 O ATOM 359 CB PHE A 27 -2.653 9.438 5.965 1.00 0.00 C ATOM 360 CG PHE A 27 -3.842 8.544 5.759 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.587 8.100 6.840 1.00 0.00 C ATOM 362 CD2 PHE A 27 -4.216 8.148 4.485 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.682 7.277 6.654 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.310 7.326 4.293 1.00 0.00 C ATOM 365 CZ PHE A 27 -6.044 6.889 5.379 1.00 0.00 C ATOM 0 H PHE A 27 -4.799 10.607 7.639 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.091 11.327 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.153 9.591 5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.941 8.936 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.309 8.400 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.646 8.486 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.254 6.938 7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.591 7.025 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.899 6.246 5.231 1.00 0.00 H new ATOM 375 N HIS A 28 -3.038 12.389 4.733 1.00 0.00 N ATOM 376 CA HIS A 28 -3.647 13.234 3.711 1.00 0.00 C ATOM 377 C HIS A 28 -3.658 12.527 2.358 1.00 0.00 C ATOM 378 O HIS A 28 -3.254 11.369 2.249 1.00 0.00 O ATOM 379 CB HIS A 28 -2.894 14.560 3.600 1.00 0.00 C ATOM 380 CG HIS A 28 -2.736 15.270 4.909 1.00 0.00 C ATOM 381 ND1 HIS A 28 -1.797 14.909 5.852 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.402 16.326 5.429 1.00 0.00 C ATOM 383 CE1 HIS A 28 -1.894 15.712 6.897 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.861 16.582 6.665 1.00 0.00 N ATOM 0 H HIS A 28 -2.019 12.434 4.765 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.677 13.434 4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.907 14.374 3.176 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.423 15.211 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.210 16.868 4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.286 15.665 7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.157 17.323 7.300 1.00 0.00 H new ATOM 393 N ARG A 29 -4.124 13.231 1.332 1.00 0.00 N ATOM 394 CA ARG A 29 -4.190 12.671 -0.012 1.00 0.00 C ATOM 395 C ARG A 29 -2.794 12.533 -0.613 1.00 0.00 C ATOM 396 O ARG A 29 -1.944 13.406 -0.440 1.00 0.00 O ATOM 397 CB ARG A 29 -5.060 13.550 -0.912 1.00 0.00 C ATOM 398 CG ARG A 29 -4.479 14.933 -1.158 1.00 0.00 C ATOM 399 CD ARG A 29 -5.208 15.652 -2.282 1.00 0.00 C ATOM 400 NE ARG A 29 -4.670 15.302 -3.595 1.00 0.00 N ATOM 401 CZ ARG A 29 -3.459 15.656 -4.011 1.00 0.00 C ATOM 402 NH1 ARG A 29 -2.664 16.364 -3.221 1.00 0.00 N ATOM 403 NH2 ARG A 29 -3.041 15.300 -5.219 1.00 0.00 N ATOM 0 H ARG A 29 -4.462 14.191 1.406 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.637 11.679 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.200 13.048 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.046 13.655 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.544 15.524 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.421 14.846 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.268 15.401 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.131 16.729 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.256 14.756 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.982 16.638 -2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.735 16.634 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.650 14.754 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.111 15.572 -5.538 1.00 0.00 H new ATOM 417 N GLY A 30 -2.565 11.430 -1.319 1.00 0.00 N ATOM 418 CA GLY A 30 -1.272 11.198 -1.934 1.00 0.00 C ATOM 419 C GLY A 30 -0.304 10.496 -1.002 1.00 0.00 C ATOM 420 O GLY A 30 0.634 9.837 -1.451 1.00 0.00 O ATOM 0 H GLY A 30 -3.252 10.693 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.404 10.598 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.845 12.151 -2.245 1.00 0.00 H new ATOM 424 N ASP A 31 -0.531 10.638 0.300 1.00 0.00 N ATOM 425 CA ASP A 31 0.328 10.012 1.298 1.00 0.00 C ATOM 426 C ASP A 31 0.359 8.498 1.117 1.00 0.00 C ATOM 427 O ASP A 31 -0.673 7.870 0.873 1.00 0.00 O ATOM 428 CB ASP A 31 -0.154 10.360 2.707 1.00 0.00 C ATOM 429 CG ASP A 31 0.422 11.670 3.209 1.00 0.00 C ATOM 430 OD1 ASP A 31 0.062 12.729 2.652 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.231 11.637 4.159 1.00 0.00 O ATOM 0 H ASP A 31 -1.302 11.181 0.688 1.00 0.00 H new ATOM 0 HA ASP A 31 1.339 10.396 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.242 10.420 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.124 9.558 3.391 1.00 0.00 H new ATOM 436 N LEU A 32 1.547 7.917 1.237 1.00 0.00 N ATOM 437 CA LEU A 32 1.712 6.475 1.085 1.00 0.00 C ATOM 438 C LEU A 32 1.716 5.781 2.444 1.00 0.00 C ATOM 439 O LEU A 32 2.442 6.181 3.354 1.00 0.00 O ATOM 440 CB LEU A 32 3.012 6.166 0.339 1.00 0.00 C ATOM 441 CG LEU A 32 3.470 4.708 0.364 1.00 0.00 C ATOM 442 CD1 LEU A 32 2.803 3.920 -0.753 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.985 4.622 0.248 1.00 0.00 C ATOM 0 H LEU A 32 2.410 8.421 1.439 1.00 0.00 H new ATOM 0 HA LEU A 32 0.869 6.097 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.892 6.470 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.805 6.782 0.762 1.00 0.00 H new ATOM 0 HG LEU A 32 3.173 4.271 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.141 2.884 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.721 3.953 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.068 4.357 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.293 3.576 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.305 5.077 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.444 5.151 1.083 1.00 0.00 H new ATOM 455 N ILE A 33 0.901 4.740 2.572 1.00 0.00 N ATOM 456 CA ILE A 33 0.812 3.989 3.819 1.00 0.00 C ATOM 457 C ILE A 33 1.531 2.649 3.705 1.00 0.00 C ATOM 458 O ILE A 33 1.102 1.763 2.965 1.00 0.00 O ATOM 459 CB ILE A 33 -0.653 3.741 4.224 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.356 5.068 4.517 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.719 2.821 5.434 1.00 0.00 C ATOM 462 CD1 ILE A 33 -1.949 5.722 3.288 1.00 0.00 C ATOM 0 H ILE A 33 0.293 4.397 1.828 1.00 0.00 H new ATOM 0 HA ILE A 33 1.294 4.594 4.587 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.167 3.255 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.148 4.897 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.644 5.754 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.761 2.655 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.251 1.867 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.192 3.281 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.431 6.658 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.158 5.925 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.686 5.055 2.841 1.00 0.00 H new ATOM 474 N LYS A 34 2.625 2.506 4.445 1.00 0.00 N ATOM 475 CA LYS A 34 3.403 1.273 4.431 1.00 0.00 C ATOM 476 C LYS A 34 2.607 0.121 5.036 1.00 0.00 C ATOM 477 O LYS A 34 2.132 0.209 6.169 1.00 0.00 O ATOM 478 CB LYS A 34 4.712 1.463 5.201 1.00 0.00 C ATOM 479 CG LYS A 34 5.471 0.169 5.438 1.00 0.00 C ATOM 480 CD LYS A 34 6.944 0.427 5.705 1.00 0.00 C ATOM 481 CE LYS A 34 7.148 1.212 6.992 1.00 0.00 C ATOM 482 NZ LYS A 34 8.561 1.153 7.460 1.00 0.00 N ATOM 0 H LYS A 34 2.993 3.229 5.063 1.00 0.00 H new ATOM 0 HA LYS A 34 3.631 1.028 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.351 2.154 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.494 1.928 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.034 -0.360 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.366 -0.480 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.475 -0.523 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.375 0.978 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.861 2.251 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.492 0.816 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.659 1.700 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.827 0.163 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.185 1.555 6.731 1.00 0.00 H new ATOM 496 N LEU A 35 2.467 -0.959 4.275 1.00 0.00 N ATOM 497 CA LEU A 35 1.730 -2.130 4.738 1.00 0.00 C ATOM 498 C LEU A 35 2.508 -2.870 5.821 1.00 0.00 C ATOM 499 O LEU A 35 3.377 -3.692 5.525 1.00 0.00 O ATOM 500 CB LEU A 35 1.443 -3.072 3.566 1.00 0.00 C ATOM 501 CG LEU A 35 0.256 -2.696 2.679 1.00 0.00 C ATOM 502 CD1 LEU A 35 -1.049 -2.836 3.446 1.00 0.00 C ATOM 503 CD2 LEU A 35 0.415 -1.280 2.146 1.00 0.00 C ATOM 0 H LEU A 35 2.854 -1.048 3.335 1.00 0.00 H new ATOM 0 HA LEU A 35 0.786 -1.790 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.335 -3.125 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.272 -4.072 3.963 1.00 0.00 H new ATOM 0 HG LEU A 35 0.230 -3.380 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.883 -2.564 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.168 -3.868 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.034 -2.177 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.439 -1.030 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.468 -0.581 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.330 -1.213 1.558 1.00 0.00 H new ATOM 515 N LEU A 36 2.189 -2.576 7.077 1.00 0.00 N ATOM 516 CA LEU A 36 2.856 -3.215 8.206 1.00 0.00 C ATOM 517 C LEU A 36 2.392 -4.659 8.366 1.00 0.00 C ATOM 518 O LEU A 36 1.284 -5.028 7.977 1.00 0.00 O ATOM 519 CB LEU A 36 2.584 -2.434 9.493 1.00 0.00 C ATOM 520 CG LEU A 36 3.197 -1.035 9.571 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.579 -0.246 10.715 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.707 -1.123 9.735 1.00 0.00 C ATOM 0 H LEU A 36 1.472 -1.899 7.339 1.00 0.00 H new ATOM 0 HA LEU A 36 3.928 -3.217 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.505 -2.344 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.955 -3.019 10.335 1.00 0.00 H new ATOM 0 HG LEU A 36 2.983 -0.512 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.027 0.747 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.505 -0.153 10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.762 -0.765 11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.126 -0.118 9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.943 -1.664 10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.135 -1.650 8.882 1.00 0.00 H new ATOM 534 N PRO A 37 3.258 -5.498 8.954 1.00 0.00 N ATOM 535 CA PRO A 37 2.959 -6.914 9.181 1.00 0.00 C ATOM 536 C PRO A 37 1.888 -7.116 10.249 1.00 0.00 C ATOM 537 O PRO A 37 2.119 -6.860 11.430 1.00 0.00 O ATOM 538 CB PRO A 37 4.297 -7.489 9.652 1.00 0.00 C ATOM 539 CG PRO A 37 5.022 -6.328 10.240 1.00 0.00 C ATOM 540 CD PRO A 37 4.597 -5.127 9.442 1.00 0.00 C ATOM 0 HA PRO A 37 2.564 -7.395 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.151 -8.279 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.854 -7.925 8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.772 -6.205 11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.101 -6.472 10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.566 -4.227 10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.284 -4.928 8.619 1.00 0.00 H new ATOM 548 N VAL A 38 0.715 -7.576 9.824 1.00 0.00 N ATOM 549 CA VAL A 38 -0.391 -7.814 10.744 1.00 0.00 C ATOM 550 C VAL A 38 -0.900 -9.246 10.633 1.00 0.00 C ATOM 551 O VAL A 38 -0.963 -9.810 9.541 1.00 0.00 O ATOM 552 CB VAL A 38 -1.558 -6.844 10.481 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.900 -6.809 8.999 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.773 -7.235 11.308 1.00 0.00 C ATOM 0 H VAL A 38 0.506 -7.791 8.849 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.008 -7.645 11.750 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.250 -5.843 10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.727 -6.118 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.030 -6.477 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.189 -7.807 8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.588 -6.539 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.085 -8.245 11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.518 -7.202 12.367 1.00 0.00 H new ATOM 564 N ALA A 39 -1.263 -9.830 11.770 1.00 0.00 N ATOM 565 CA ALA A 39 -1.770 -11.196 11.801 1.00 0.00 C ATOM 566 C ALA A 39 -3.002 -11.344 10.915 1.00 0.00 C ATOM 567 O ALA A 39 -3.056 -12.218 10.049 1.00 0.00 O ATOM 568 CB ALA A 39 -2.092 -11.608 13.229 1.00 0.00 C ATOM 0 H ALA A 39 -1.215 -9.378 12.683 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.993 -11.854 11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.470 -12.630 13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.189 -11.550 13.837 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.849 -10.939 13.639 1.00 0.00 H new ATOM 574 N THR A 40 -3.992 -10.485 11.137 1.00 0.00 N ATOM 575 CA THR A 40 -5.225 -10.522 10.360 1.00 0.00 C ATOM 576 C THR A 40 -5.856 -9.138 10.265 1.00 0.00 C ATOM 577 O THR A 40 -5.654 -8.291 11.136 1.00 0.00 O ATOM 578 CB THR A 40 -6.246 -11.499 10.972 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.413 -11.570 10.145 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.638 -11.062 12.376 1.00 0.00 C ATOM 0 H THR A 40 -3.964 -9.755 11.849 1.00 0.00 H new ATOM 0 HA THR A 40 -4.959 -10.866 9.361 1.00 0.00 H new ATOM 0 HB THR A 40 -5.783 -12.484 11.031 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.056 -12.195 10.540 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.360 -11.767 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.752 -11.038 13.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.083 -10.068 12.337 1.00 0.00 H new ATOM 588 N LEU A 41 -6.623 -8.913 9.203 1.00 0.00 N ATOM 589 CA LEU A 41 -7.285 -7.631 8.995 1.00 0.00 C ATOM 590 C LEU A 41 -8.720 -7.830 8.516 1.00 0.00 C ATOM 591 O LEU A 41 -9.122 -8.944 8.180 1.00 0.00 O ATOM 592 CB LEU A 41 -6.508 -6.792 7.979 1.00 0.00 C ATOM 593 CG LEU A 41 -5.137 -6.289 8.432 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.431 -5.568 7.295 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.277 -5.376 9.641 1.00 0.00 C ATOM 0 H LEU A 41 -6.801 -9.603 8.473 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.310 -7.104 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.374 -7.385 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.118 -5.930 7.708 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.532 -7.149 8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.457 -5.217 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.297 -6.253 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.032 -4.717 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.291 -5.027 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.899 -4.520 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.741 -5.926 10.460 1.00 0.00 H new ATOM 607 N GLU A 42 -9.485 -6.744 8.486 1.00 0.00 N ATOM 608 CA GLU A 42 -10.874 -6.801 8.046 1.00 0.00 C ATOM 609 C GLU A 42 -10.997 -6.401 6.579 1.00 0.00 C ATOM 610 O GLU A 42 -10.096 -5.798 5.996 1.00 0.00 O ATOM 611 CB GLU A 42 -11.744 -5.885 8.910 1.00 0.00 C ATOM 612 CG GLU A 42 -12.390 -6.593 10.089 1.00 0.00 C ATOM 613 CD GLU A 42 -13.050 -7.900 9.693 1.00 0.00 C ATOM 614 OE1 GLU A 42 -12.353 -8.936 9.676 1.00 0.00 O ATOM 615 OE2 GLU A 42 -14.264 -7.886 9.402 1.00 0.00 O ATOM 0 H GLU A 42 -9.167 -5.815 8.761 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.221 -7.829 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.133 -5.062 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.525 -5.447 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.634 -6.788 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.134 -5.936 10.539 1.00 0.00 H new ATOM 622 N PRO A 43 -12.140 -6.745 5.966 1.00 0.00 N ATOM 623 CA PRO A 43 -12.409 -6.433 4.559 1.00 0.00 C ATOM 624 C PRO A 43 -12.619 -4.941 4.326 1.00 0.00 C ATOM 625 O PRO A 43 -12.879 -4.508 3.205 1.00 0.00 O ATOM 626 CB PRO A 43 -13.696 -7.206 4.264 1.00 0.00 C ATOM 627 CG PRO A 43 -14.364 -7.350 5.588 1.00 0.00 C ATOM 628 CD PRO A 43 -13.257 -7.465 6.600 1.00 0.00 C ATOM 0 HA PRO A 43 -11.574 -6.707 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.328 -6.667 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.481 -8.179 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.999 -6.490 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.004 -8.232 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.536 -7.016 7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.002 -8.506 6.801 1.00 0.00 H new ATOM 636 N GLY A 44 -12.503 -4.157 5.395 1.00 0.00 N ATOM 637 CA GLY A 44 -12.684 -2.722 5.285 1.00 0.00 C ATOM 638 C GLY A 44 -11.715 -1.947 6.157 1.00 0.00 C ATOM 639 O GLY A 44 -11.907 -0.757 6.404 1.00 0.00 O ATOM 0 H GLY A 44 -12.287 -4.491 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.553 -2.421 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.706 -2.465 5.565 1.00 0.00 H new ATOM 643 N TRP A 45 -10.672 -2.624 6.624 1.00 0.00 N ATOM 644 CA TRP A 45 -9.670 -1.992 7.475 1.00 0.00 C ATOM 645 C TRP A 45 -8.262 -2.385 7.042 1.00 0.00 C ATOM 646 O TRP A 45 -8.046 -3.480 6.523 1.00 0.00 O ATOM 647 CB TRP A 45 -9.894 -2.380 8.937 1.00 0.00 C ATOM 648 CG TRP A 45 -11.115 -1.752 9.538 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.351 -2.320 9.665 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.218 -0.436 10.091 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.215 -1.435 10.264 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.544 -0.273 10.536 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.317 0.621 10.256 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -12.990 0.904 11.133 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.761 1.788 10.848 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.087 1.922 11.281 1.00 0.00 C ATOM 0 H TRP A 45 -10.498 -3.610 6.428 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.773 -0.912 7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.979 -3.464 9.009 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.020 -2.090 9.520 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.611 -3.317 9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.197 -1.615 10.472 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.293 0.527 9.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.012 1.009 11.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.074 2.611 10.979 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.403 2.847 11.741 1.00 0.00 H new ATOM 667 N GLN A 46 -7.308 -1.485 7.259 1.00 0.00 N ATOM 668 CA GLN A 46 -5.920 -1.740 6.889 1.00 0.00 C ATOM 669 C GLN A 46 -4.975 -1.348 8.021 1.00 0.00 C ATOM 670 O GLN A 46 -5.352 -0.608 8.930 1.00 0.00 O ATOM 671 CB GLN A 46 -5.559 -0.970 5.618 1.00 0.00 C ATOM 672 CG GLN A 46 -5.973 -1.680 4.339 1.00 0.00 C ATOM 673 CD GLN A 46 -5.035 -2.813 3.970 1.00 0.00 C ATOM 674 OE1 GLN A 46 -4.907 -3.792 4.705 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.373 -2.684 2.827 1.00 0.00 N ATOM 0 H GLN A 46 -7.470 -0.574 7.688 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.810 -2.808 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.034 0.010 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.482 -0.802 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.983 -2.073 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.005 -0.959 3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.510 -1.855 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.727 -3.414 2.527 1.00 0.00 H new ATOM 684 N PHE A 47 -3.746 -1.849 7.959 1.00 0.00 N ATOM 685 CA PHE A 47 -2.747 -1.553 8.979 1.00 0.00 C ATOM 686 C PHE A 47 -1.413 -1.179 8.341 1.00 0.00 C ATOM 687 O PHE A 47 -0.751 -2.014 7.726 1.00 0.00 O ATOM 688 CB PHE A 47 -2.563 -2.755 9.907 1.00 0.00 C ATOM 689 CG PHE A 47 -1.658 -2.479 11.073 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.050 -1.613 12.082 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.415 -3.085 11.161 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.219 -1.357 13.155 1.00 0.00 C ATOM 693 CE2 PHE A 47 0.421 -2.832 12.233 1.00 0.00 C ATOM 694 CZ PHE A 47 0.018 -1.968 13.232 1.00 0.00 C ATOM 0 H PHE A 47 -3.418 -2.462 7.213 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.101 -0.703 9.563 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.538 -3.068 10.280 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.159 -3.589 9.333 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.016 -1.133 12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.095 -3.763 10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.536 -0.679 13.934 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.388 -3.310 12.289 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.668 -1.770 14.071 1.00 0.00 H new ATOM 704 N GLY A 48 -1.024 0.084 8.492 1.00 0.00 N ATOM 705 CA GLY A 48 0.229 0.547 7.924 1.00 0.00 C ATOM 706 C GLY A 48 0.722 1.824 8.575 1.00 0.00 C ATOM 707 O GLY A 48 -0.062 2.580 9.149 1.00 0.00 O ATOM 0 H GLY A 48 -1.554 0.794 8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.985 -0.230 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.100 0.714 6.855 1.00 0.00 H new ATOM 711 N SER A 49 2.027 2.065 8.488 1.00 0.00 N ATOM 712 CA SER A 49 2.625 3.257 9.078 1.00 0.00 C ATOM 713 C SER A 49 2.540 4.439 8.119 1.00 0.00 C ATOM 714 O SER A 49 2.675 4.280 6.906 1.00 0.00 O ATOM 715 CB SER A 49 4.085 2.989 9.449 1.00 0.00 C ATOM 716 OG SER A 49 4.856 2.687 8.299 1.00 0.00 O ATOM 0 H SER A 49 2.690 1.451 8.015 1.00 0.00 H new ATOM 0 HA SER A 49 2.067 3.505 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.502 3.862 9.951 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.138 2.160 10.154 1.00 0.00 H new ATOM 0 HG SER A 49 5.575 3.347 8.204 1.00 0.00 H new ATOM 722 N ALA A 50 2.316 5.627 8.671 1.00 0.00 N ATOM 723 CA ALA A 50 2.215 6.838 7.866 1.00 0.00 C ATOM 724 C ALA A 50 2.416 8.084 8.721 1.00 0.00 C ATOM 725 O ALA A 50 1.556 8.443 9.525 1.00 0.00 O ATOM 726 CB ALA A 50 0.868 6.891 7.160 1.00 0.00 C ATOM 0 H ALA A 50 2.201 5.777 9.673 1.00 0.00 H new ATOM 0 HA ALA A 50 3.005 6.813 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.806 7.800 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.763 6.022 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.069 6.889 7.901 1.00 0.00 H new ATOM 732 N GLY A 51 3.558 8.741 8.543 1.00 0.00 N ATOM 733 CA GLY A 51 3.851 9.940 9.306 1.00 0.00 C ATOM 734 C GLY A 51 4.376 9.630 10.694 1.00 0.00 C ATOM 735 O GLY A 51 4.050 10.322 11.657 1.00 0.00 O ATOM 0 H GLY A 51 4.286 8.464 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.586 10.539 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.947 10.544 9.389 1.00 0.00 H new ATOM 739 N GLY A 52 5.191 8.584 10.797 1.00 0.00 N ATOM 740 CA GLY A 52 5.747 8.201 12.082 1.00 0.00 C ATOM 741 C GLY A 52 4.676 7.853 13.096 1.00 0.00 C ATOM 742 O GLY A 52 4.851 8.075 14.294 1.00 0.00 O ATOM 0 H GLY A 52 5.476 7.996 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.408 7.345 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.357 9.017 12.468 1.00 0.00 H new ATOM 746 N ARG A 53 3.564 7.306 12.616 1.00 0.00 N ATOM 747 CA ARG A 53 2.459 6.929 13.490 1.00 0.00 C ATOM 748 C ARG A 53 1.671 5.765 12.898 1.00 0.00 C ATOM 749 O ARG A 53 1.335 5.768 11.714 1.00 0.00 O ATOM 750 CB ARG A 53 1.531 8.123 13.719 1.00 0.00 C ATOM 751 CG ARG A 53 0.937 8.687 12.438 1.00 0.00 C ATOM 752 CD ARG A 53 -0.157 9.702 12.732 1.00 0.00 C ATOM 753 NE ARG A 53 0.383 10.953 13.256 1.00 0.00 N ATOM 754 CZ ARG A 53 0.948 11.885 12.496 1.00 0.00 C ATOM 755 NH1 ARG A 53 1.046 11.707 11.186 1.00 0.00 N ATOM 756 NH2 ARG A 53 1.417 12.997 13.047 1.00 0.00 N ATOM 0 H ARG A 53 3.404 7.114 11.627 1.00 0.00 H new ATOM 0 HA ARG A 53 2.877 6.614 14.446 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.721 7.821 14.383 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.085 8.910 14.230 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.723 9.158 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.529 7.875 11.836 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.719 9.904 11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.859 9.280 13.452 1.00 0.00 H new ATOM 0 HE ARG A 53 0.323 11.121 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.687 10.853 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.480 12.424 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.344 13.137 14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.851 13.712 12.463 1.00 0.00 H new ATOM 770 N SER A 54 1.379 4.770 13.730 1.00 0.00 N ATOM 771 CA SER A 54 0.634 3.597 13.288 1.00 0.00 C ATOM 772 C SER A 54 -0.849 3.739 13.617 1.00 0.00 C ATOM 773 O SER A 54 -1.215 4.275 14.662 1.00 0.00 O ATOM 774 CB SER A 54 1.195 2.333 13.944 1.00 0.00 C ATOM 775 OG SER A 54 0.977 2.346 15.344 1.00 0.00 O ATOM 0 H SER A 54 1.647 4.753 14.714 1.00 0.00 H new ATOM 0 HA SER A 54 0.742 3.515 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.723 1.453 13.507 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.263 2.257 13.740 1.00 0.00 H new ATOM 0 HG SER A 54 1.343 1.527 15.740 1.00 0.00 H new ATOM 781 N GLY A 55 -1.698 3.255 12.716 1.00 0.00 N ATOM 782 CA GLY A 55 -3.131 3.337 12.928 1.00 0.00 C ATOM 783 C GLY A 55 -3.916 2.538 11.906 1.00 0.00 C ATOM 784 O GLY A 55 -3.380 2.149 10.867 1.00 0.00 O ATOM 0 H GLY A 55 -1.419 2.808 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.368 2.974 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.442 4.381 12.885 1.00 0.00 H new ATOM 788 N LEU A 56 -5.187 2.291 12.200 1.00 0.00 N ATOM 789 CA LEU A 56 -6.047 1.531 11.300 1.00 0.00 C ATOM 790 C LEU A 56 -6.817 2.461 10.368 1.00 0.00 C ATOM 791 O LEU A 56 -7.480 3.396 10.817 1.00 0.00 O ATOM 792 CB LEU A 56 -7.024 0.669 12.102 1.00 0.00 C ATOM 793 CG LEU A 56 -6.472 -0.654 12.633 1.00 0.00 C ATOM 794 CD1 LEU A 56 -5.961 -1.517 11.490 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.366 -0.401 13.648 1.00 0.00 C ATOM 0 H LEU A 56 -5.645 2.606 13.055 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.414 0.883 10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.384 1.255 12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.887 0.453 11.473 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.281 -1.189 13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.572 -2.454 11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.778 -1.727 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.166 -0.989 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.985 -1.354 14.016 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.557 0.155 13.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.763 0.177 14.482 1.00 0.00 H new ATOM 807 N PHE A 57 -6.728 2.196 9.069 1.00 0.00 N ATOM 808 CA PHE A 57 -7.418 3.009 8.074 1.00 0.00 C ATOM 809 C PHE A 57 -8.149 2.129 7.065 1.00 0.00 C ATOM 810 O PHE A 57 -7.765 0.988 6.804 1.00 0.00 O ATOM 811 CB PHE A 57 -6.423 3.918 7.349 1.00 0.00 C ATOM 812 CG PHE A 57 -5.439 3.169 6.496 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.352 2.529 7.070 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.601 3.106 5.122 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.444 1.841 6.288 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.696 2.418 4.334 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.617 1.784 4.918 1.00 0.00 C ATOM 0 H PHE A 57 -6.185 1.425 8.681 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.153 3.626 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.974 4.620 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.878 4.508 8.086 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.213 2.568 8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.443 3.600 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.600 1.348 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.833 2.377 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.910 1.245 4.305 1.00 0.00 H new ATOM 827 N PRO A 58 -9.230 2.669 6.484 1.00 0.00 N ATOM 828 CA PRO A 58 -10.039 1.950 5.494 1.00 0.00 C ATOM 829 C PRO A 58 -9.303 1.759 4.173 1.00 0.00 C ATOM 830 O PRO A 58 -8.592 2.652 3.713 1.00 0.00 O ATOM 831 CB PRO A 58 -11.255 2.860 5.302 1.00 0.00 C ATOM 832 CG PRO A 58 -10.771 4.222 5.664 1.00 0.00 C ATOM 833 CD PRO A 58 -9.747 4.023 6.747 1.00 0.00 C ATOM 0 HA PRO A 58 -10.291 0.943 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.615 2.828 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.084 2.552 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.333 4.723 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.592 4.848 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.957 4.772 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.192 4.097 7.739 1.00 0.00 H new ATOM 841 N ALA A 59 -9.479 0.590 3.566 1.00 0.00 N ATOM 842 CA ALA A 59 -8.833 0.283 2.296 1.00 0.00 C ATOM 843 C ALA A 59 -9.746 0.618 1.121 1.00 0.00 C ATOM 844 O ALA A 59 -9.637 0.023 0.049 1.00 0.00 O ATOM 845 CB ALA A 59 -8.429 -1.183 2.251 1.00 0.00 C ATOM 0 H ALA A 59 -10.064 -0.160 3.934 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.937 0.899 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.948 -1.399 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.734 -1.394 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.315 -1.808 2.360 1.00 0.00 H new ATOM 851 N ASP A 60 -10.644 1.574 1.330 1.00 0.00 N ATOM 852 CA ASP A 60 -11.575 1.990 0.288 1.00 0.00 C ATOM 853 C ASP A 60 -11.203 3.365 -0.257 1.00 0.00 C ATOM 854 O ASP A 60 -11.487 3.684 -1.412 1.00 0.00 O ATOM 855 CB ASP A 60 -13.005 2.012 0.831 1.00 0.00 C ATOM 856 CG ASP A 60 -13.962 2.744 -0.089 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.340 2.169 -1.132 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.335 3.891 0.234 1.00 0.00 O ATOM 0 H ASP A 60 -10.747 2.076 2.212 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.515 1.269 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.353 0.989 0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.011 2.489 1.811 1.00 0.00 H new ATOM 863 N ILE A 61 -10.569 4.176 0.583 1.00 0.00 N ATOM 864 CA ILE A 61 -10.158 5.517 0.185 1.00 0.00 C ATOM 865 C ILE A 61 -8.709 5.531 -0.290 1.00 0.00 C ATOM 866 O ILE A 61 -8.101 6.592 -0.433 1.00 0.00 O ATOM 867 CB ILE A 61 -10.317 6.521 1.343 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.180 6.351 2.352 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.666 6.339 2.021 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.227 7.349 3.489 1.00 0.00 C ATOM 0 H ILE A 61 -10.329 3.928 1.543 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.809 5.815 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.271 7.532 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.217 5.342 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.227 6.448 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.763 7.055 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.463 6.505 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.741 5.326 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.391 7.169 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.159 8.360 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.165 7.237 4.033 1.00 0.00 H new ATOM 882 N VAL A 62 -8.162 4.345 -0.535 1.00 0.00 N ATOM 883 CA VAL A 62 -6.785 4.219 -0.997 1.00 0.00 C ATOM 884 C VAL A 62 -6.697 3.319 -2.224 1.00 0.00 C ATOM 885 O VAL A 62 -7.631 2.579 -2.531 1.00 0.00 O ATOM 886 CB VAL A 62 -5.871 3.655 0.107 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.689 4.673 1.222 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.436 2.352 0.651 1.00 0.00 C ATOM 0 H VAL A 62 -8.651 3.457 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.447 5.221 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.892 3.448 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.040 4.256 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.237 5.579 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.659 4.915 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.778 1.967 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.427 2.531 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.509 1.622 -0.155 1.00 0.00 H new ATOM 898 N GLN A 63 -5.567 3.386 -2.921 1.00 0.00 N ATOM 899 CA GLN A 63 -5.357 2.576 -4.115 1.00 0.00 C ATOM 900 C GLN A 63 -3.977 1.927 -4.097 1.00 0.00 C ATOM 901 O GLN A 63 -3.031 2.440 -3.501 1.00 0.00 O ATOM 902 CB GLN A 63 -5.514 3.433 -5.373 1.00 0.00 C ATOM 903 CG GLN A 63 -4.450 4.510 -5.511 1.00 0.00 C ATOM 904 CD GLN A 63 -4.256 4.957 -6.947 1.00 0.00 C ATOM 905 OE1 GLN A 63 -4.144 4.134 -7.856 1.00 0.00 O ATOM 906 NE2 GLN A 63 -4.216 6.268 -7.159 1.00 0.00 N ATOM 0 H GLN A 63 -4.783 3.993 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.109 1.787 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.481 2.786 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.497 3.904 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.727 5.370 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.504 4.134 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.313 6.914 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.088 6.628 -8.105 1.00 0.00 H new ATOM 915 N PRO A 64 -3.859 0.770 -4.765 1.00 0.00 N ATOM 916 CA PRO A 64 -2.598 0.025 -4.841 1.00 0.00 C ATOM 917 C PRO A 64 -1.554 0.738 -5.694 1.00 0.00 C ATOM 918 O PRO A 64 -1.884 1.371 -6.696 1.00 0.00 O ATOM 919 CB PRO A 64 -3.007 -1.298 -5.492 1.00 0.00 C ATOM 920 CG PRO A 64 -4.233 -0.974 -6.274 1.00 0.00 C ATOM 921 CD PRO A 64 -4.945 0.100 -5.499 1.00 0.00 C ATOM 0 HA PRO A 64 -2.134 -0.091 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.217 -1.683 -6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.207 -2.063 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.977 -0.628 -7.276 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.865 -1.854 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.469 0.791 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.688 -0.320 -4.821 1.00 0.00 H new ATOM 929 N ALA A 65 -0.293 0.630 -5.289 1.00 0.00 N ATOM 930 CA ALA A 65 0.800 1.263 -6.018 1.00 0.00 C ATOM 931 C ALA A 65 2.060 0.405 -5.972 1.00 0.00 C ATOM 932 O ALA A 65 2.087 -0.641 -5.323 1.00 0.00 O ATOM 933 CB ALA A 65 1.081 2.647 -5.452 1.00 0.00 C ATOM 0 H ALA A 65 -0.003 0.111 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 65 0.498 1.364 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.899 3.107 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.188 3.265 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.357 2.561 -4.401 1.00 0.00 H new ATOM 939 N ALA A 66 3.101 0.854 -6.664 1.00 0.00 N ATOM 940 CA ALA A 66 4.365 0.127 -6.701 1.00 0.00 C ATOM 941 C ALA A 66 5.286 0.571 -5.570 1.00 0.00 C ATOM 942 O ALA A 66 5.264 1.730 -5.158 1.00 0.00 O ATOM 943 CB ALA A 66 5.047 0.322 -8.047 1.00 0.00 C ATOM 0 H ALA A 66 3.095 1.718 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 66 4.150 -0.933 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.989 -0.226 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.399 -0.051 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.242 1.383 -8.206 1.00 0.00 H new ATOM 949 N ALA A 67 6.093 -0.360 -5.071 1.00 0.00 N ATOM 950 CA ALA A 67 7.023 -0.064 -3.988 1.00 0.00 C ATOM 951 C ALA A 67 8.062 0.964 -4.423 1.00 0.00 C ATOM 952 O ALA A 67 8.509 0.985 -5.570 1.00 0.00 O ATOM 953 CB ALA A 67 7.705 -1.339 -3.515 1.00 0.00 C ATOM 0 H ALA A 67 6.121 -1.325 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 67 6.455 0.360 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.397 -1.103 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.953 -2.042 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.254 -1.787 -4.343 1.00 0.00 H new ATOM 959 N PRO A 68 8.458 1.839 -3.486 1.00 0.00 N ATOM 960 CA PRO A 68 9.449 2.887 -3.749 1.00 0.00 C ATOM 961 C PRO A 68 10.850 2.320 -3.951 1.00 0.00 C ATOM 962 O PRO A 68 11.665 2.310 -3.029 1.00 0.00 O ATOM 963 CB PRO A 68 9.398 3.749 -2.486 1.00 0.00 C ATOM 964 CG PRO A 68 8.908 2.831 -1.420 1.00 0.00 C ATOM 965 CD PRO A 68 7.967 1.874 -2.098 1.00 0.00 C ATOM 0 HA PRO A 68 9.229 3.436 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.381 4.151 -2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.729 4.600 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.736 2.299 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.400 3.385 -0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.996 0.887 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.935 2.220 -2.045 1.00 0.00 H new ATOM 973 N ASP A 69 11.124 1.851 -5.163 1.00 0.00 N ATOM 974 CA ASP A 69 12.429 1.284 -5.487 1.00 0.00 C ATOM 975 C ASP A 69 13.551 2.230 -5.071 1.00 0.00 C ATOM 976 O ASP A 69 13.474 3.438 -5.296 1.00 0.00 O ATOM 977 CB ASP A 69 12.523 0.989 -6.985 1.00 0.00 C ATOM 978 CG ASP A 69 12.213 2.206 -7.835 1.00 0.00 C ATOM 979 OD1 ASP A 69 12.907 3.232 -7.679 1.00 0.00 O ATOM 980 OD2 ASP A 69 11.277 2.131 -8.658 1.00 0.00 O ATOM 0 H ASP A 69 10.461 1.852 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 69 12.540 0.352 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.525 0.631 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.831 0.186 -7.239 1.00 0.00 H new ATOM 985 N PHE A 70 14.592 1.673 -4.462 1.00 0.00 N ATOM 986 CA PHE A 70 15.729 2.468 -4.012 1.00 0.00 C ATOM 987 C PHE A 70 17.005 2.050 -4.737 1.00 0.00 C ATOM 988 O PHE A 70 17.011 1.082 -5.497 1.00 0.00 O ATOM 989 CB PHE A 70 15.916 2.319 -2.500 1.00 0.00 C ATOM 990 CG PHE A 70 15.150 3.332 -1.699 1.00 0.00 C ATOM 991 CD1 PHE A 70 15.706 4.567 -1.406 1.00 0.00 C ATOM 992 CD2 PHE A 70 13.874 3.050 -1.239 1.00 0.00 C ATOM 993 CE1 PHE A 70 15.003 5.501 -0.668 1.00 0.00 C ATOM 994 CE2 PHE A 70 13.166 3.980 -0.501 1.00 0.00 C ATOM 995 CZ PHE A 70 13.731 5.208 -0.216 1.00 0.00 C ATOM 0 H PHE A 70 14.672 0.675 -4.269 1.00 0.00 H new ATOM 0 HA PHE A 70 15.525 3.513 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.603 1.319 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.976 2.406 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.699 4.802 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 70 13.427 2.092 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.448 6.459 -0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.172 3.747 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 70 13.179 5.937 0.359 1.00 0.00 H new ATOM 1005 N SER A 71 18.084 2.789 -4.496 1.00 0.00 N ATOM 1006 CA SER A 71 19.365 2.499 -5.129 1.00 0.00 C ATOM 1007 C SER A 71 19.925 1.167 -4.638 1.00 0.00 C ATOM 1008 O SER A 71 20.479 0.389 -5.414 1.00 0.00 O ATOM 1009 CB SER A 71 20.364 3.621 -4.844 1.00 0.00 C ATOM 1010 OG SER A 71 21.627 3.339 -5.422 1.00 0.00 O ATOM 0 H SER A 71 18.096 3.592 -3.867 1.00 0.00 H new ATOM 0 HA SER A 71 19.203 2.431 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.981 4.562 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.474 3.749 -3.767 1.00 0.00 H new ATOM 0 HG SER A 71 22.164 2.812 -4.794 1.00 0.00 H new ATOM 1016 N PHE A 72 19.776 0.912 -3.342 1.00 0.00 N ATOM 1017 CA PHE A 72 20.267 -0.324 -2.745 1.00 0.00 C ATOM 1018 C PHE A 72 19.143 -1.066 -2.028 1.00 0.00 C ATOM 1019 O PHE A 72 18.921 -0.873 -0.832 1.00 0.00 O ATOM 1020 CB PHE A 72 21.403 -0.026 -1.764 1.00 0.00 C ATOM 1021 CG PHE A 72 22.717 0.256 -2.436 1.00 0.00 C ATOM 1022 CD1 PHE A 72 22.966 1.492 -3.010 1.00 0.00 C ATOM 1023 CD2 PHE A 72 23.703 -0.716 -2.493 1.00 0.00 C ATOM 1024 CE1 PHE A 72 24.173 1.753 -3.629 1.00 0.00 C ATOM 1025 CE2 PHE A 72 24.912 -0.461 -3.111 1.00 0.00 C ATOM 1026 CZ PHE A 72 25.148 0.776 -3.679 1.00 0.00 C ATOM 0 H PHE A 72 19.319 1.545 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 72 20.645 -0.959 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 72 21.127 0.831 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 72 21.523 -0.875 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.208 2.260 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 72 23.524 -1.684 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.354 2.720 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 72 25.672 -1.228 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 72 26.093 0.979 -4.161 1.00 0.00 H new ATOM 1036 N SER A 73 18.436 -1.914 -2.767 1.00 0.00 N ATOM 1037 CA SER A 73 17.331 -2.682 -2.205 1.00 0.00 C ATOM 1038 C SER A 73 17.431 -4.151 -2.605 1.00 0.00 C ATOM 1039 O SER A 73 17.034 -4.535 -3.705 1.00 0.00 O ATOM 1040 CB SER A 73 15.993 -2.105 -2.669 1.00 0.00 C ATOM 1041 OG SER A 73 14.968 -2.375 -1.728 1.00 0.00 O ATOM 0 H SER A 73 18.609 -2.087 -3.757 1.00 0.00 H new ATOM 0 HA SER A 73 17.390 -2.615 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.087 -1.028 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.725 -2.531 -3.636 1.00 0.00 H new ATOM 0 HG SER A 73 14.123 -1.995 -2.047 1.00 0.00 H new ATOM 1047 N LYS A 74 17.965 -4.968 -1.704 1.00 0.00 N ATOM 1048 CA LYS A 74 18.117 -6.396 -1.960 1.00 0.00 C ATOM 1049 C LYS A 74 19.172 -6.646 -3.033 1.00 0.00 C ATOM 1050 O LYS A 74 18.986 -7.485 -3.914 1.00 0.00 O ATOM 1051 CB LYS A 74 16.780 -7.003 -2.392 1.00 0.00 C ATOM 1052 CG LYS A 74 16.693 -8.503 -2.169 1.00 0.00 C ATOM 1053 CD LYS A 74 16.430 -8.835 -0.710 1.00 0.00 C ATOM 1054 CE LYS A 74 16.405 -10.338 -0.476 1.00 0.00 C ATOM 1055 NZ LYS A 74 15.191 -10.970 -1.061 1.00 0.00 N ATOM 0 H LYS A 74 18.300 -4.666 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 74 18.443 -6.873 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.975 -6.515 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.619 -6.791 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 74 15.897 -8.918 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.623 -8.974 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.202 -8.382 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.478 -8.402 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.296 -10.789 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.439 -10.539 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.194 -11.989 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.341 -10.535 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.189 -10.829 -2.091 1.00 0.00 H new ATOM 1069 N GLU A 75 20.279 -5.915 -2.951 1.00 0.00 N ATOM 1070 CA GLU A 75 21.363 -6.060 -3.915 1.00 0.00 C ATOM 1071 C GLU A 75 21.983 -7.451 -3.832 1.00 0.00 C ATOM 1072 O GLU A 75 22.772 -7.736 -2.931 1.00 0.00 O ATOM 1073 CB GLU A 75 22.435 -4.996 -3.674 1.00 0.00 C ATOM 1074 CG GLU A 75 23.299 -4.714 -4.893 1.00 0.00 C ATOM 1075 CD GLU A 75 24.447 -3.772 -4.589 1.00 0.00 C ATOM 1076 OE1 GLU A 75 25.268 -4.103 -3.707 1.00 0.00 O ATOM 1077 OE2 GLU A 75 24.526 -2.705 -5.232 1.00 0.00 O ATOM 0 H GLU A 75 20.449 -5.217 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 75 20.947 -5.926 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.952 -4.071 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.075 -5.317 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.697 -5.653 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.680 -4.284 -5.681 1.00 0.00 H new ATOM 1084 N GLN A 76 21.620 -8.312 -4.777 1.00 0.00 N ATOM 1085 CA GLN A 76 22.139 -9.674 -4.809 1.00 0.00 C ATOM 1086 C GLN A 76 23.348 -9.774 -5.734 1.00 0.00 C ATOM 1087 O GLN A 76 23.356 -9.202 -6.824 1.00 0.00 O ATOM 1088 CB GLN A 76 21.051 -10.647 -5.266 1.00 0.00 C ATOM 1089 CG GLN A 76 21.397 -12.107 -5.020 1.00 0.00 C ATOM 1090 CD GLN A 76 20.262 -13.045 -5.380 1.00 0.00 C ATOM 1091 OE1 GLN A 76 19.117 -12.620 -5.538 1.00 0.00 O ATOM 1092 NE2 GLN A 76 20.574 -14.329 -5.512 1.00 0.00 N ATOM 0 H GLN A 76 20.969 -8.091 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 76 22.453 -9.940 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.122 -10.410 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 76 20.868 -10.500 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 76 22.280 -12.370 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.656 -12.243 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.536 -14.637 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.851 -15.007 -5.754 1.00 0.00 H new ATOM 1101 N ARG A 77 24.367 -10.504 -5.292 1.00 0.00 N ATOM 1102 CA ARG A 77 25.581 -10.677 -6.079 1.00 0.00 C ATOM 1103 C ARG A 77 25.248 -10.897 -7.552 1.00 0.00 C ATOM 1104 O ARG A 77 24.492 -11.804 -7.898 1.00 0.00 O ATOM 1105 CB ARG A 77 26.395 -11.858 -5.548 1.00 0.00 C ATOM 1106 CG ARG A 77 27.893 -11.710 -5.760 1.00 0.00 C ATOM 1107 CD ARG A 77 28.314 -12.211 -7.132 1.00 0.00 C ATOM 1108 NE ARG A 77 29.758 -12.411 -7.223 1.00 0.00 N ATOM 1109 CZ ARG A 77 30.376 -13.508 -6.801 1.00 0.00 C ATOM 1110 NH1 ARG A 77 29.679 -14.499 -6.261 1.00 0.00 N ATOM 1111 NH2 ARG A 77 31.693 -13.616 -6.918 1.00 0.00 N ATOM 0 H ARG A 77 24.375 -10.985 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 77 26.174 -9.767 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 77 26.197 -11.975 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 77 26.056 -12.771 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 77 28.175 -10.663 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 77 28.427 -12.265 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 77 27.804 -13.150 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 77 27.999 -11.496 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 77 30.323 -11.667 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 77 28.666 -14.419 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 77 30.156 -15.341 -5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 77 32.232 -12.856 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 77 32.166 -14.459 -6.593 1.00 0.00 H new ATOM 1125 N SER A 78 25.816 -10.060 -8.414 1.00 0.00 N ATOM 1126 CA SER A 78 25.576 -10.160 -9.848 1.00 0.00 C ATOM 1127 C SER A 78 25.414 -11.616 -10.272 1.00 0.00 C ATOM 1128 O SER A 78 24.393 -12.000 -10.841 1.00 0.00 O ATOM 1129 CB SER A 78 26.725 -9.515 -10.626 1.00 0.00 C ATOM 1130 OG SER A 78 27.967 -10.104 -10.281 1.00 0.00 O ATOM 0 H SER A 78 26.446 -9.305 -8.144 1.00 0.00 H new ATOM 0 HA SER A 78 24.651 -9.629 -10.074 1.00 0.00 H new ATOM 0 HB2 SER A 78 26.551 -9.626 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 78 26.755 -8.446 -10.417 1.00 0.00 H new ATOM 0 HG SER A 78 28.685 -9.676 -10.792 1.00 0.00 H new ATOM 1136 N GLY A 79 26.431 -12.425 -9.989 1.00 0.00 N ATOM 1137 CA GLY A 79 26.383 -13.831 -10.347 1.00 0.00 C ATOM 1138 C GLY A 79 25.015 -14.441 -10.116 1.00 0.00 C ATOM 1139 O GLY A 79 24.406 -14.236 -9.067 1.00 0.00 O ATOM 0 H GLY A 79 27.287 -12.132 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 79 26.656 -13.945 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 79 27.124 -14.377 -9.763 1.00 0.00 H new ATOM 1143 N SER A 80 24.531 -15.193 -11.100 1.00 0.00 N ATOM 1144 CA SER A 80 23.224 -15.831 -11.001 1.00 0.00 C ATOM 1145 C SER A 80 23.363 -17.295 -10.594 1.00 0.00 C ATOM 1146 O SER A 80 24.462 -17.771 -10.313 1.00 0.00 O ATOM 1147 CB SER A 80 22.481 -15.730 -12.335 1.00 0.00 C ATOM 1148 OG SER A 80 21.079 -15.814 -12.145 1.00 0.00 O ATOM 0 H SER A 80 25.024 -15.375 -11.974 1.00 0.00 H new ATOM 0 HA SER A 80 22.651 -15.311 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 80 22.729 -14.787 -12.823 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.810 -16.529 -12.999 1.00 0.00 H new ATOM 0 HG SER A 80 20.627 -15.745 -13.012 1.00 0.00 H new ATOM 1154 N GLY A 81 22.239 -18.004 -10.563 1.00 0.00 N ATOM 1155 CA GLY A 81 22.256 -19.406 -10.189 1.00 0.00 C ATOM 1156 C GLY A 81 22.119 -20.327 -11.385 1.00 0.00 C ATOM 1157 O GLY A 81 21.738 -19.908 -12.478 1.00 0.00 O ATOM 0 H GLY A 81 21.317 -17.632 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 81 23.187 -19.628 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 81 21.444 -19.602 -9.489 1.00 0.00 H new ATOM 1161 N PRO A 82 22.437 -21.615 -11.185 1.00 0.00 N ATOM 1162 CA PRO A 82 22.357 -22.624 -12.245 1.00 0.00 C ATOM 1163 C PRO A 82 20.918 -22.939 -12.638 1.00 0.00 C ATOM 1164 O PRO A 82 19.979 -22.318 -12.140 1.00 0.00 O ATOM 1165 CB PRO A 82 23.021 -23.852 -11.616 1.00 0.00 C ATOM 1166 CG PRO A 82 22.845 -23.668 -10.148 1.00 0.00 C ATOM 1167 CD PRO A 82 22.899 -22.185 -9.908 1.00 0.00 C ATOM 0 HA PRO A 82 22.835 -22.288 -13.165 1.00 0.00 H new ATOM 0 HB2 PRO A 82 22.552 -24.774 -11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 82 24.076 -23.912 -11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 82 21.894 -24.083 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 82 23.630 -24.182 -9.593 1.00 0.00 H new ATOM 0 HD2 PRO A 82 22.256 -21.888 -9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 82 23.908 -21.854 -9.662 1.00 0.00 H new ATOM 1175 N SER A 83 20.752 -23.907 -13.533 1.00 0.00 N ATOM 1176 CA SER A 83 19.427 -24.303 -13.995 1.00 0.00 C ATOM 1177 C SER A 83 19.240 -25.813 -13.883 1.00 0.00 C ATOM 1178 O SER A 83 20.205 -26.558 -13.713 1.00 0.00 O ATOM 1179 CB SER A 83 19.215 -23.857 -15.444 1.00 0.00 C ATOM 1180 OG SER A 83 20.050 -24.584 -16.328 1.00 0.00 O ATOM 0 H SER A 83 21.519 -24.432 -13.953 1.00 0.00 H new ATOM 0 HA SER A 83 18.687 -23.816 -13.360 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.171 -24.001 -15.723 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.425 -22.791 -15.534 1.00 0.00 H new ATOM 0 HG SER A 83 19.895 -24.282 -17.247 1.00 0.00 H new ATOM 1186 N SER A 84 17.991 -26.257 -13.979 1.00 0.00 N ATOM 1187 CA SER A 84 17.676 -27.677 -13.885 1.00 0.00 C ATOM 1188 C SER A 84 18.204 -28.433 -15.101 1.00 0.00 C ATOM 1189 O SER A 84 18.666 -27.830 -16.068 1.00 0.00 O ATOM 1190 CB SER A 84 16.164 -27.879 -13.762 1.00 0.00 C ATOM 1191 OG SER A 84 15.864 -29.076 -13.067 1.00 0.00 O ATOM 0 H SER A 84 17.181 -25.654 -14.122 1.00 0.00 H new ATOM 0 HA SER A 84 18.162 -28.073 -12.993 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.722 -27.031 -13.239 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.716 -27.910 -14.755 1.00 0.00 H new ATOM 0 HG SER A 84 14.892 -29.181 -13.000 1.00 0.00 H new ATOM 1197 N GLY A 85 18.132 -29.759 -15.043 1.00 0.00 N ATOM 1198 CA GLY A 85 18.605 -30.577 -16.144 1.00 0.00 C ATOM 1199 C GLY A 85 17.634 -30.602 -17.308 1.00 0.00 C ATOM 1200 O GLY A 85 17.229 -31.671 -17.764 1.00 0.00 O ATOM 0 H GLY A 85 17.754 -30.282 -14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 85 19.568 -30.198 -16.486 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.770 -31.595 -15.791 1.00 0.00 H new TER 1204 GLY A 85