USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -165:sc= 0.184 (180deg=-0.134) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.433 F(o=-1.5!,f=-0.43) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 17 SER OG : rot 5:sc= 0.62 USER MOD Single : A 19 CYS SG : rot -2:sc= 0.19 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.13 USER MOD Single : A 27 SER OG : rot -69:sc= 0.214 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 1:sc= 0.981 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.671 F(o=-1.5,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 53.923 -22.026 -13.491 1.00 1.00 N ATOM 58 CA GLY A 5 54.348 -21.696 -14.846 1.00 1.00 C ATOM 59 C GLY A 5 55.699 -22.328 -15.164 1.00 1.00 C ATOM 60 O GLY A 5 56.718 -21.641 -15.223 1.00 1.00 O ATOM 0 HA2 GLY A 5 53.602 -22.045 -15.560 1.00 1.00 H new ATOM 0 HA3 GLY A 5 54.414 -20.614 -14.957 1.00 1.00 H new ATOM 64 N ASP A 6 55.698 -23.641 -15.365 1.00 1.00 N ATOM 65 CA ASP A 6 56.931 -24.357 -15.676 1.00 1.00 C ATOM 66 C ASP A 6 57.766 -23.575 -16.684 1.00 1.00 C ATOM 67 O ASP A 6 58.987 -23.718 -16.735 1.00 1.00 O ATOM 68 CB ASP A 6 56.603 -25.739 -16.245 1.00 1.00 C ATOM 69 CG ASP A 6 57.073 -26.825 -15.283 1.00 1.00 C ATOM 70 OD1 ASP A 6 58.228 -26.784 -14.894 1.00 1.00 O ATOM 71 OD2 ASP A 6 56.270 -27.682 -14.950 1.00 1.00 O ATOM 0 H ASP A 6 54.865 -24.228 -15.319 1.00 1.00 H new ATOM 0 HA ASP A 6 57.505 -24.470 -14.756 1.00 1.00 H new ATOM 0 HB2 ASP A 6 55.529 -25.828 -16.410 1.00 1.00 H new ATOM 0 HB3 ASP A 6 57.086 -25.866 -17.214 1.00 1.00 H new ATOM 76 N PHE A 7 57.099 -22.746 -17.481 1.00 1.00 N ATOM 77 CA PHE A 7 57.791 -21.945 -18.484 1.00 1.00 C ATOM 78 C PHE A 7 57.190 -20.546 -18.559 1.00 1.00 C ATOM 79 O PHE A 7 57.910 -19.557 -18.696 1.00 1.00 O ATOM 80 CB PHE A 7 57.690 -22.621 -19.853 1.00 1.00 C ATOM 81 CG PHE A 7 56.779 -21.813 -20.746 1.00 1.00 C ATOM 82 CD1 PHE A 7 57.282 -20.712 -21.448 1.00 1.00 C ATOM 83 CD2 PHE A 7 55.429 -22.167 -20.873 1.00 1.00 C ATOM 84 CE1 PHE A 7 56.437 -19.964 -22.277 1.00 1.00 C ATOM 85 CE2 PHE A 7 54.584 -21.419 -21.701 1.00 1.00 C ATOM 86 CZ PHE A 7 55.088 -20.318 -22.403 1.00 1.00 C ATOM 0 H PHE A 7 56.088 -22.612 -17.453 1.00 1.00 H new ATOM 0 HA PHE A 7 58.839 -21.863 -18.197 1.00 1.00 H new ATOM 0 HB2 PHE A 7 58.679 -22.704 -20.304 1.00 1.00 H new ATOM 0 HB3 PHE A 7 57.304 -23.634 -19.743 1.00 1.00 H new ATOM 0 HD1 PHE A 7 58.322 -20.439 -21.350 1.00 1.00 H new ATOM 0 HD2 PHE A 7 55.041 -23.017 -20.332 1.00 1.00 H new ATOM 0 HE1 PHE A 7 56.825 -19.114 -22.819 1.00 1.00 H new ATOM 0 HE2 PHE A 7 53.543 -21.691 -21.798 1.00 1.00 H new ATOM 0 HZ PHE A 7 54.436 -19.741 -23.042 1.00 1.00 H new ATOM 96 N ASP A 8 55.866 -20.470 -18.467 1.00 1.00 N ATOM 97 CA ASP A 8 55.179 -19.184 -18.527 1.00 1.00 C ATOM 98 C ASP A 8 55.844 -18.178 -17.594 1.00 1.00 C ATOM 99 O ASP A 8 56.648 -18.547 -16.737 1.00 1.00 O ATOM 100 CB ASP A 8 53.711 -19.359 -18.130 1.00 1.00 C ATOM 101 CG ASP A 8 53.003 -18.009 -18.148 1.00 1.00 C ATOM 102 OD1 ASP A 8 52.743 -17.513 -19.232 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.730 -17.490 -17.078 1.00 1.00 O ATOM 0 H ASP A 8 55.252 -21.276 -18.352 1.00 1.00 H new ATOM 0 HA ASP A 8 55.237 -18.808 -19.548 1.00 1.00 H new ATOM 0 HB2 ASP A 8 53.219 -20.046 -18.818 1.00 1.00 H new ATOM 0 HB3 ASP A 8 53.644 -19.801 -17.136 1.00 1.00 H new ATOM 108 N ASN A 9 55.504 -16.905 -17.767 1.00 1.00 N ATOM 109 CA ASN A 9 56.075 -15.852 -16.935 1.00 1.00 C ATOM 110 C ASN A 9 55.224 -14.589 -17.009 1.00 1.00 C ATOM 111 O ASN A 9 55.017 -13.907 -16.005 1.00 1.00 O ATOM 112 CB ASN A 9 57.500 -15.539 -17.394 1.00 1.00 C ATOM 113 CG ASN A 9 57.915 -14.156 -16.900 1.00 1.00 C ATOM 114 OD1 ASN A 9 57.514 -13.095 -17.547 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 58.621 -14.039 -15.899 1.00 1.00 N flip ATOM 0 H ASN A 9 54.841 -16.579 -18.470 1.00 1.00 H new ATOM 0 HA ASN A 9 56.095 -16.201 -15.903 1.00 1.00 H new ATOM 0 HB2 ASN A 9 58.188 -16.293 -17.011 1.00 1.00 H new ATOM 0 HB3 ASN A 9 57.557 -15.578 -18.482 1.00 1.00 H new ATOM 0 HD21 ASN A 9 58.933 -14.869 -15.395 1.00 1.00 H new ATOM 0 HD22 ASN A 9 58.894 -13.112 -15.573 1.00 1.00 H new ATOM 122 N TYR A 10 54.733 -14.282 -18.206 1.00 1.00 N ATOM 123 CA TYR A 10 53.906 -13.097 -18.400 1.00 1.00 C ATOM 124 C TYR A 10 52.787 -13.049 -17.363 1.00 1.00 C ATOM 125 O TYR A 10 52.541 -12.010 -16.750 1.00 1.00 O ATOM 126 CB TYR A 10 53.302 -13.106 -19.805 1.00 1.00 C ATOM 127 CG TYR A 10 54.358 -13.514 -20.804 1.00 1.00 C ATOM 128 CD1 TYR A 10 55.359 -12.608 -21.174 1.00 1.00 C ATOM 129 CD2 TYR A 10 54.335 -14.798 -21.362 1.00 1.00 C ATOM 130 CE1 TYR A 10 56.338 -12.987 -22.101 1.00 1.00 C ATOM 131 CE2 TYR A 10 55.314 -15.176 -22.289 1.00 1.00 C ATOM 132 CZ TYR A 10 56.316 -14.270 -22.658 1.00 1.00 C ATOM 133 OH TYR A 10 57.280 -14.643 -23.572 1.00 1.00 O ATOM 0 H TYR A 10 54.892 -14.833 -19.050 1.00 1.00 H new ATOM 0 HA TYR A 10 54.535 -12.215 -18.281 1.00 1.00 H new ATOM 0 HB2 TYR A 10 52.461 -13.798 -19.846 1.00 1.00 H new ATOM 0 HB3 TYR A 10 52.915 -12.118 -20.052 1.00 1.00 H new ATOM 0 HD1 TYR A 10 55.376 -11.617 -20.745 1.00 1.00 H new ATOM 0 HD2 TYR A 10 53.562 -15.497 -21.077 1.00 1.00 H new ATOM 0 HE1 TYR A 10 57.111 -12.288 -22.386 1.00 1.00 H new ATOM 0 HE2 TYR A 10 55.296 -16.166 -22.719 1.00 1.00 H new ATOM 0 HH TYR A 10 57.119 -15.566 -23.859 1.00 1.00 H new ATOM 143 N TYR A 11 52.114 -14.179 -17.174 1.00 1.00 N ATOM 144 CA TYR A 11 51.023 -14.254 -16.210 1.00 1.00 C ATOM 145 C TYR A 11 49.849 -13.390 -16.660 1.00 1.00 C ATOM 146 O TYR A 11 49.719 -13.070 -17.841 1.00 1.00 O ATOM 147 CB TYR A 11 51.508 -13.784 -14.836 1.00 1.00 C ATOM 148 CG TYR A 11 50.968 -14.708 -13.769 1.00 1.00 C ATOM 149 CD1 TYR A 11 51.486 -16.001 -13.636 1.00 1.00 C ATOM 150 CD2 TYR A 11 49.950 -14.269 -12.913 1.00 1.00 C ATOM 151 CE1 TYR A 11 50.985 -16.856 -12.647 1.00 1.00 C ATOM 152 CE2 TYR A 11 49.450 -15.125 -11.924 1.00 1.00 C ATOM 153 CZ TYR A 11 49.967 -16.419 -11.792 1.00 1.00 C ATOM 154 OH TYR A 11 49.475 -17.262 -10.816 1.00 1.00 O ATOM 0 H TYR A 11 52.303 -15.049 -17.671 1.00 1.00 H new ATOM 0 HA TYR A 11 50.692 -15.290 -16.144 1.00 1.00 H new ATOM 0 HB2 TYR A 11 52.598 -13.774 -14.807 1.00 1.00 H new ATOM 0 HB3 TYR A 11 51.175 -12.763 -14.651 1.00 1.00 H new ATOM 0 HD1 TYR A 11 52.272 -16.339 -14.296 1.00 1.00 H new ATOM 0 HD2 TYR A 11 49.551 -13.271 -13.016 1.00 1.00 H new ATOM 0 HE1 TYR A 11 51.385 -17.854 -12.544 1.00 1.00 H new ATOM 0 HE2 TYR A 11 48.666 -14.787 -11.263 1.00 1.00 H new ATOM 0 HH TYR A 11 48.773 -16.802 -10.310 1.00 1.00 H new ATOM 164 N GLY A 12 48.998 -13.016 -15.709 1.00 1.00 N ATOM 165 CA GLY A 12 47.838 -12.188 -16.021 1.00 1.00 C ATOM 166 C GLY A 12 48.201 -11.093 -17.016 1.00 1.00 C ATOM 167 O GLY A 12 47.369 -10.666 -17.816 1.00 1.00 O ATOM 0 H GLY A 12 49.088 -13.270 -14.725 1.00 1.00 H new ATOM 0 HA2 GLY A 12 47.043 -12.810 -16.433 1.00 1.00 H new ATOM 0 HA3 GLY A 12 47.450 -11.739 -15.106 1.00 1.00 H new ATOM 171 N ALA A 13 49.450 -10.641 -16.961 1.00 1.00 N ATOM 172 CA ALA A 13 49.912 -9.593 -17.864 1.00 1.00 C ATOM 173 C ALA A 13 49.083 -8.327 -17.685 1.00 1.00 C ATOM 174 O ALA A 13 48.338 -8.192 -16.714 1.00 1.00 O ATOM 175 CB ALA A 13 49.812 -10.071 -19.314 1.00 1.00 C ATOM 0 H ALA A 13 50.155 -10.981 -16.307 1.00 1.00 H new ATOM 0 HA ALA A 13 50.952 -9.368 -17.627 1.00 1.00 H new ATOM 0 HB1 ALA A 13 50.159 -9.282 -19.982 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.431 -10.958 -19.448 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.775 -10.313 -19.547 1.00 1.00 H new ATOM 181 N ASP A 14 49.217 -7.399 -18.628 1.00 1.00 N ATOM 182 CA ASP A 14 48.474 -6.146 -18.564 1.00 1.00 C ATOM 183 C ASP A 14 46.974 -6.415 -18.497 1.00 1.00 C ATOM 184 O ASP A 14 46.222 -5.646 -17.899 1.00 1.00 O ATOM 185 CB ASP A 14 48.787 -5.290 -19.792 1.00 1.00 C ATOM 186 CG ASP A 14 47.585 -4.417 -20.139 1.00 1.00 C ATOM 187 OD1 ASP A 14 47.185 -3.632 -19.296 1.00 1.00 O ATOM 188 OD2 ASP A 14 47.083 -4.547 -21.244 1.00 1.00 O ATOM 0 H ASP A 14 49.828 -7.490 -19.439 1.00 1.00 H new ATOM 0 HA ASP A 14 48.776 -5.612 -17.663 1.00 1.00 H new ATOM 0 HB2 ASP A 14 49.658 -4.664 -19.597 1.00 1.00 H new ATOM 0 HB3 ASP A 14 49.038 -5.930 -20.638 1.00 1.00 H new ATOM 193 N ASN A 15 46.547 -7.511 -19.115 1.00 1.00 N ATOM 194 CA ASN A 15 45.134 -7.872 -19.119 1.00 1.00 C ATOM 195 C ASN A 15 44.536 -7.714 -17.724 1.00 1.00 C ATOM 196 O ASN A 15 43.514 -7.052 -17.549 1.00 1.00 O ATOM 197 CB ASN A 15 44.965 -9.318 -19.588 1.00 1.00 C ATOM 198 CG ASN A 15 43.667 -9.464 -20.375 1.00 1.00 C ATOM 199 OD1 ASN A 15 42.607 -8.802 -19.995 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 43.616 -10.199 -21.361 1.00 1.00 N flip ATOM 0 H ASN A 15 47.154 -8.160 -19.616 1.00 1.00 H new ATOM 0 HA ASN A 15 44.610 -7.205 -19.804 1.00 1.00 H new ATOM 0 HB2 ASN A 15 45.812 -9.608 -20.210 1.00 1.00 H new ATOM 0 HB3 ASN A 15 44.956 -9.989 -18.729 1.00 1.00 H new ATOM 0 HD21 ASN A 15 44.445 -10.715 -21.656 1.00 1.00 H new ATOM 0 HD22 ASN A 15 42.745 -10.292 -21.883 1.00 1.00 H new ATOM 207 N GLN A 16 45.180 -8.328 -16.738 1.00 1.00 N ATOM 208 CA GLN A 16 44.704 -8.248 -15.361 1.00 1.00 C ATOM 209 C GLN A 16 45.424 -7.135 -14.608 1.00 1.00 C ATOM 210 O GLN A 16 45.884 -7.331 -13.482 1.00 1.00 O ATOM 211 CB GLN A 16 44.936 -9.582 -14.650 1.00 1.00 C ATOM 212 CG GLN A 16 44.085 -10.668 -15.310 1.00 1.00 C ATOM 213 CD GLN A 16 42.754 -10.804 -14.578 1.00 1.00 C ATOM 214 OE1 GLN A 16 42.201 -9.812 -14.105 1.00 1.00 O ATOM 215 NE2 GLN A 16 42.204 -11.981 -14.456 1.00 1.00 N ATOM 0 H GLN A 16 46.027 -8.883 -16.864 1.00 1.00 H new ATOM 0 HA GLN A 16 43.637 -8.027 -15.378 1.00 1.00 H new ATOM 0 HB2 GLN A 16 45.991 -9.853 -14.698 1.00 1.00 H new ATOM 0 HB3 GLN A 16 44.677 -9.494 -13.595 1.00 1.00 H new ATOM 0 HG2 GLN A 16 43.910 -10.419 -16.357 1.00 1.00 H new ATOM 0 HG3 GLN A 16 44.617 -11.619 -15.294 1.00 1.00 H new ATOM 0 HE21 GLN A 16 42.664 -12.802 -14.849 1.00 1.00 H new ATOM 0 HE22 GLN A 16 41.314 -12.080 -13.968 1.00 1.00 H new ATOM 224 N SER A 17 45.518 -5.967 -15.235 1.00 1.00 N ATOM 225 CA SER A 17 46.185 -4.829 -14.614 1.00 1.00 C ATOM 226 C SER A 17 45.418 -3.541 -14.892 1.00 1.00 C ATOM 227 O SER A 17 44.541 -3.503 -15.755 1.00 1.00 O ATOM 228 CB SER A 17 47.610 -4.702 -15.152 1.00 1.00 C ATOM 229 OG SER A 17 48.380 -3.908 -14.259 1.00 1.00 O ATOM 0 H SER A 17 45.144 -5.784 -16.166 1.00 1.00 H new ATOM 0 HA SER A 17 46.217 -4.994 -13.537 1.00 1.00 H new ATOM 0 HB2 SER A 17 48.060 -5.689 -15.259 1.00 1.00 H new ATOM 0 HB3 SER A 17 47.598 -4.248 -16.143 1.00 1.00 H new ATOM 0 HG SER A 17 47.843 -3.692 -13.468 1.00 1.00 H new ATOM 235 N GLU A 18 45.753 -2.487 -14.154 1.00 1.00 N ATOM 236 CA GLU A 18 45.088 -1.201 -14.330 1.00 1.00 C ATOM 237 C GLU A 18 44.896 -0.895 -15.812 1.00 1.00 C ATOM 238 O GLU A 18 45.821 -0.443 -16.486 1.00 1.00 O ATOM 239 CB GLU A 18 45.917 -0.092 -13.681 1.00 1.00 C ATOM 240 CG GLU A 18 46.409 -0.558 -12.310 1.00 1.00 C ATOM 241 CD GLU A 18 47.855 -1.031 -12.409 1.00 1.00 C ATOM 242 OE1 GLU A 18 48.736 -0.187 -12.406 1.00 1.00 O ATOM 243 OE2 GLU A 18 48.061 -2.231 -12.487 1.00 1.00 O ATOM 0 H GLU A 18 46.475 -2.497 -13.434 1.00 1.00 H new ATOM 0 HA GLU A 18 44.110 -1.250 -13.852 1.00 1.00 H new ATOM 0 HB2 GLU A 18 46.765 0.162 -14.317 1.00 1.00 H new ATOM 0 HB3 GLU A 18 45.316 0.811 -13.576 1.00 1.00 H new ATOM 0 HG2 GLU A 18 46.333 0.257 -11.591 1.00 1.00 H new ATOM 0 HG3 GLU A 18 45.777 -1.367 -11.943 1.00 1.00 H new ATOM 250 N CYS A 19 43.690 -1.145 -16.312 1.00 1.00 N ATOM 251 CA CYS A 19 43.389 -0.892 -17.715 1.00 1.00 C ATOM 252 C CYS A 19 42.733 0.475 -17.885 1.00 1.00 C ATOM 253 O CYS A 19 42.895 1.126 -18.918 1.00 1.00 O ATOM 254 CB CYS A 19 42.455 -1.978 -18.253 1.00 1.00 C ATOM 255 SG CYS A 19 41.806 -1.472 -19.866 1.00 1.00 S ATOM 0 H CYS A 19 42.911 -1.520 -15.771 1.00 1.00 H new ATOM 0 HA CYS A 19 44.324 -0.906 -18.275 1.00 1.00 H new ATOM 0 HB2 CYS A 19 42.992 -2.922 -18.345 1.00 1.00 H new ATOM 0 HB3 CYS A 19 41.635 -2.145 -17.555 1.00 1.00 H new ATOM 0 HG CYS A 19 42.262 -0.292 -20.166 1.00 1.00 H new ATOM 261 N GLU A 20 41.995 0.902 -16.867 1.00 1.00 N ATOM 262 CA GLU A 20 41.321 2.194 -16.914 1.00 1.00 C ATOM 263 C GLU A 20 41.449 2.915 -15.577 1.00 1.00 C ATOM 264 O GLU A 20 41.687 4.123 -15.532 1.00 1.00 O ATOM 265 CB GLU A 20 39.841 1.998 -17.250 1.00 1.00 C ATOM 266 CG GLU A 20 39.668 0.720 -18.074 1.00 1.00 C ATOM 267 CD GLU A 20 38.233 0.614 -18.576 1.00 1.00 C ATOM 268 OE1 GLU A 20 37.338 0.991 -17.836 1.00 1.00 O ATOM 269 OE2 GLU A 20 38.048 0.157 -19.692 1.00 1.00 O ATOM 0 H GLU A 20 41.849 0.377 -16.005 1.00 1.00 H new ATOM 0 HA GLU A 20 41.793 2.801 -17.687 1.00 1.00 H new ATOM 0 HB2 GLU A 20 39.255 1.934 -16.333 1.00 1.00 H new ATOM 0 HB3 GLU A 20 39.467 2.856 -17.808 1.00 1.00 H new ATOM 0 HG2 GLU A 20 40.358 0.725 -18.918 1.00 1.00 H new ATOM 0 HG3 GLU A 20 39.915 -0.151 -17.466 1.00 1.00 H new ATOM 276 N TYR A 21 41.291 2.169 -14.490 1.00 1.00 N ATOM 277 CA TYR A 21 41.392 2.749 -13.155 1.00 1.00 C ATOM 278 C TYR A 21 42.823 3.195 -12.871 1.00 1.00 C ATOM 279 O TYR A 21 43.500 2.630 -12.013 1.00 1.00 O ATOM 280 CB TYR A 21 40.958 1.723 -12.106 1.00 1.00 C ATOM 281 CG TYR A 21 39.745 0.975 -12.604 1.00 1.00 C ATOM 282 CD1 TYR A 21 39.903 -0.144 -13.430 1.00 1.00 C ATOM 283 CD2 TYR A 21 38.462 1.401 -12.240 1.00 1.00 C ATOM 284 CE1 TYR A 21 38.779 -0.838 -13.892 1.00 1.00 C ATOM 285 CE2 TYR A 21 37.338 0.707 -12.703 1.00 1.00 C ATOM 286 CZ TYR A 21 37.495 -0.412 -13.528 1.00 1.00 C ATOM 287 OH TYR A 21 36.386 -1.096 -13.983 1.00 1.00 O ATOM 0 H TYR A 21 41.094 1.168 -14.505 1.00 1.00 H new ATOM 0 HA TYR A 21 40.736 3.618 -13.107 1.00 1.00 H new ATOM 0 HB2 TYR A 21 41.771 1.026 -11.906 1.00 1.00 H new ATOM 0 HB3 TYR A 21 40.729 2.224 -11.165 1.00 1.00 H new ATOM 0 HD1 TYR A 21 40.893 -0.472 -13.711 1.00 1.00 H new ATOM 0 HD2 TYR A 21 38.340 2.264 -11.603 1.00 1.00 H new ATOM 0 HE1 TYR A 21 38.901 -1.702 -14.529 1.00 1.00 H new ATOM 0 HE2 TYR A 21 36.348 1.036 -12.423 1.00 1.00 H new ATOM 0 HH TYR A 21 35.574 -0.670 -13.637 1.00 1.00 H new ATOM 297 N THR A 22 43.275 4.211 -13.599 1.00 1.00 N ATOM 298 CA THR A 22 44.627 4.726 -13.417 1.00 1.00 C ATOM 299 C THR A 22 44.746 6.134 -13.990 1.00 1.00 C ATOM 300 O THR A 22 45.256 7.041 -13.333 1.00 1.00 O ATOM 301 CB THR A 22 45.634 3.804 -14.107 1.00 1.00 C ATOM 302 OG1 THR A 22 46.737 4.572 -14.569 1.00 1.00 O ATOM 303 CG2 THR A 22 44.963 3.109 -15.293 1.00 1.00 C ATOM 0 H THR A 22 42.730 4.691 -14.315 1.00 1.00 H new ATOM 0 HA THR A 22 44.841 4.762 -12.349 1.00 1.00 H new ATOM 0 HB THR A 22 45.984 3.053 -13.399 1.00 1.00 H new ATOM 0 HG1 THR A 22 47.384 3.983 -15.010 1.00 1.00 H new ATOM 0 HG21 THR A 22 45.681 2.452 -15.784 1.00 1.00 H new ATOM 0 HG22 THR A 22 44.117 2.521 -14.939 1.00 1.00 H new ATOM 0 HG23 THR A 22 44.612 3.858 -16.003 1.00 1.00 H new ATOM 311 N ASP A 23 44.274 6.309 -15.219 1.00 1.00 N ATOM 312 CA ASP A 23 44.333 7.611 -15.872 1.00 1.00 C ATOM 313 C ASP A 23 43.406 8.602 -15.175 1.00 1.00 C ATOM 314 O ASP A 23 43.858 9.597 -14.609 1.00 1.00 O ATOM 315 CB ASP A 23 43.929 7.479 -17.342 1.00 1.00 C ATOM 316 CG ASP A 23 45.081 6.889 -18.148 1.00 1.00 C ATOM 317 OD1 ASP A 23 45.566 5.836 -17.768 1.00 1.00 O ATOM 318 OD2 ASP A 23 45.463 7.499 -19.133 1.00 1.00 O ATOM 0 H ASP A 23 43.849 5.571 -15.780 1.00 1.00 H new ATOM 0 HA ASP A 23 45.356 7.981 -15.809 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.049 6.842 -17.430 1.00 1.00 H new ATOM 0 HB3 ASP A 23 43.657 8.456 -17.742 1.00 1.00 H new ATOM 323 N TRP A 24 42.107 8.323 -15.221 1.00 1.00 N ATOM 324 CA TRP A 24 41.125 9.197 -14.591 1.00 1.00 C ATOM 325 C TRP A 24 41.296 9.189 -13.075 1.00 1.00 C ATOM 326 O TRP A 24 40.827 10.092 -12.383 1.00 1.00 O ATOM 327 CB TRP A 24 39.710 8.738 -14.950 1.00 1.00 C ATOM 328 CG TRP A 24 39.296 7.634 -14.029 1.00 1.00 C ATOM 329 CD1 TRP A 24 39.418 6.314 -14.296 1.00 1.00 C ATOM 330 CD2 TRP A 24 38.699 7.731 -12.705 1.00 1.00 C ATOM 331 NE1 TRP A 24 38.932 5.594 -13.220 1.00 1.00 N ATOM 332 CE2 TRP A 24 38.479 6.423 -12.213 1.00 1.00 C ATOM 333 CE3 TRP A 24 38.331 8.816 -11.888 1.00 1.00 C ATOM 334 CZ2 TRP A 24 37.913 6.198 -10.957 1.00 1.00 C ATOM 335 CZ3 TRP A 24 37.762 8.594 -10.623 1.00 1.00 C ATOM 336 CH2 TRP A 24 37.553 7.288 -10.160 1.00 1.00 C ATOM 0 H TRP A 24 41.712 7.505 -15.685 1.00 1.00 H new ATOM 0 HA TRP A 24 41.281 10.212 -14.958 1.00 1.00 H new ATOM 0 HB2 TRP A 24 39.014 9.573 -14.870 1.00 1.00 H new ATOM 0 HB3 TRP A 24 39.679 8.395 -15.984 1.00 1.00 H new ATOM 0 HD1 TRP A 24 39.828 5.891 -15.201 1.00 1.00 H new ATOM 0 HE1 TRP A 24 38.911 4.575 -13.176 1.00 1.00 H new ATOM 0 HE3 TRP A 24 38.487 9.826 -12.236 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 37.755 5.190 -10.604 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 37.484 9.434 -10.004 1.00 1.00 H new ATOM 0 HH2 TRP A 24 37.114 7.124 -9.187 1.00 1.00 H new ATOM 347 N LYS A 25 41.970 8.163 -12.566 1.00 1.00 N ATOM 348 CA LYS A 25 42.197 8.046 -11.130 1.00 1.00 C ATOM 349 C LYS A 25 42.557 9.403 -10.532 1.00 1.00 C ATOM 350 O LYS A 25 43.573 9.999 -10.891 1.00 1.00 O ATOM 351 CB LYS A 25 43.325 7.051 -10.859 1.00 1.00 C ATOM 352 CG LYS A 25 43.295 6.632 -9.387 1.00 1.00 C ATOM 353 CD LYS A 25 44.381 5.586 -9.131 1.00 1.00 C ATOM 354 CE LYS A 25 43.813 4.188 -9.381 1.00 1.00 C ATOM 355 NZ LYS A 25 43.163 3.687 -8.136 1.00 1.00 N ATOM 0 H LYS A 25 42.366 7.405 -13.122 1.00 1.00 H new ATOM 0 HA LYS A 25 41.279 7.689 -10.664 1.00 1.00 H new ATOM 0 HB2 LYS A 25 43.214 6.176 -11.499 1.00 1.00 H new ATOM 0 HB3 LYS A 25 44.288 7.502 -11.100 1.00 1.00 H new ATOM 0 HG2 LYS A 25 43.454 7.500 -8.748 1.00 1.00 H new ATOM 0 HG3 LYS A 25 42.316 6.225 -9.134 1.00 1.00 H new ATOM 0 HD2 LYS A 25 45.235 5.765 -9.785 1.00 1.00 H new ATOM 0 HD3 LYS A 25 44.742 5.665 -8.106 1.00 1.00 H new ATOM 0 HE2 LYS A 25 43.089 4.218 -10.195 1.00 1.00 H new ATOM 0 HE3 LYS A 25 44.609 3.509 -9.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 42.776 2.736 -8.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 43.866 3.644 -7.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 42.393 4.331 -7.863 1.00 1.00 H new ATOM 369 N SER A 26 41.718 9.884 -9.621 1.00 1.00 N ATOM 370 CA SER A 26 41.959 11.171 -8.981 1.00 1.00 C ATOM 371 C SER A 26 43.029 11.042 -7.902 1.00 1.00 C ATOM 372 O SER A 26 44.169 11.469 -8.090 1.00 1.00 O ATOM 373 CB SER A 26 40.665 11.695 -8.357 1.00 1.00 C ATOM 374 OG SER A 26 39.909 10.599 -7.857 1.00 1.00 O ATOM 0 H SER A 26 40.872 9.406 -9.311 1.00 1.00 H new ATOM 0 HA SER A 26 42.307 11.872 -9.740 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.892 12.393 -7.551 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.085 12.243 -9.100 1.00 1.00 H new ATOM 0 HG SER A 26 39.079 10.930 -7.454 1.00 1.00 H new ATOM 380 N SER A 27 42.656 10.450 -6.773 1.00 1.00 N ATOM 381 CA SER A 27 43.592 10.267 -5.671 1.00 1.00 C ATOM 382 C SER A 27 44.025 11.617 -5.107 1.00 1.00 C ATOM 383 O SER A 27 44.774 11.681 -4.132 1.00 1.00 O ATOM 384 CB SER A 27 44.821 9.496 -6.151 1.00 1.00 C ATOM 385 OG SER A 27 45.951 10.359 -6.143 1.00 1.00 O ATOM 0 H SER A 27 41.718 10.091 -6.598 1.00 1.00 H new ATOM 0 HA SER A 27 43.092 9.700 -4.886 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.001 8.637 -5.505 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.652 9.109 -7.156 1.00 1.00 H new ATOM 0 HG SER A 27 45.852 11.034 -6.847 1.00 1.00 H new ATOM 391 N GLY A 28 43.549 12.692 -5.726 1.00 1.00 N ATOM 392 CA GLY A 28 43.895 14.036 -5.276 1.00 1.00 C ATOM 393 C GLY A 28 43.034 15.084 -5.975 1.00 1.00 C ATOM 394 O GLY A 28 43.433 16.241 -6.102 1.00 1.00 O ATOM 0 H GLY A 28 42.928 12.661 -6.534 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.759 14.109 -4.197 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.948 14.231 -5.478 1.00 1.00 H new ATOM 398 N ALA A 29 41.854 14.668 -6.425 1.00 1.00 N ATOM 399 CA ALA A 29 40.943 15.578 -7.111 1.00 1.00 C ATOM 400 C ALA A 29 39.783 15.963 -6.199 1.00 1.00 C ATOM 401 O ALA A 29 39.624 17.129 -5.837 1.00 1.00 O ATOM 402 CB ALA A 29 40.399 14.915 -8.377 1.00 1.00 C ATOM 0 H ALA A 29 41.508 13.713 -6.328 1.00 1.00 H new ATOM 0 HA ALA A 29 41.494 16.479 -7.380 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.720 15.601 -8.884 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.226 14.667 -9.042 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.863 14.005 -8.109 1.00 1.00 H new ATOM 408 N LEU A 30 38.972 14.975 -5.832 1.00 1.00 N ATOM 409 CA LEU A 30 37.828 15.223 -4.962 1.00 1.00 C ATOM 410 C LEU A 30 38.152 14.833 -3.523 1.00 1.00 C ATOM 411 O LEU A 30 37.253 14.663 -2.699 1.00 1.00 O ATOM 412 CB LEU A 30 36.619 14.422 -5.449 1.00 1.00 C ATOM 413 CG LEU A 30 36.991 12.941 -5.541 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.139 12.137 -4.558 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.736 12.439 -6.964 1.00 1.00 C ATOM 0 H LEU A 30 39.084 14.003 -6.121 1.00 1.00 H new ATOM 0 HA LEU A 30 37.596 16.288 -4.994 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.781 14.556 -4.764 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.296 14.788 -6.424 1.00 1.00 H new ATOM 0 HG LEU A 30 38.045 12.816 -5.294 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.405 11.082 -4.624 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.319 12.494 -3.544 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.084 12.262 -4.804 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.001 11.384 -7.030 1.00 1.00 H new ATOM 0 HD22 LEU A 30 35.682 12.565 -7.211 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.344 13.010 -7.666 1.00 1.00 H new ATOM 427 N ILE A 31 39.440 14.694 -3.229 1.00 1.00 N ATOM 428 CA ILE A 31 39.869 14.325 -1.884 1.00 1.00 C ATOM 429 C ILE A 31 39.861 15.533 -0.942 1.00 1.00 C ATOM 430 O ILE A 31 39.548 15.394 0.240 1.00 1.00 O ATOM 431 CB ILE A 31 41.273 13.710 -1.920 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.460 12.908 -3.217 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.458 12.787 -0.714 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.372 11.834 -3.340 1.00 1.00 C ATOM 0 H ILE A 31 40.199 14.830 -3.896 1.00 1.00 H new ATOM 0 HA ILE A 31 39.160 13.589 -1.504 1.00 1.00 H new ATOM 0 HB ILE A 31 42.015 14.508 -1.884 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.418 13.578 -4.076 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.445 12.441 -3.225 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.456 12.350 -0.740 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.337 13.360 0.205 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.713 11.992 -0.747 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.517 11.273 -4.264 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.434 11.155 -2.490 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.391 12.310 -3.354 1.00 1.00 H new ATOM 446 N PRO A 32 40.196 16.710 -1.425 1.00 1.00 N ATOM 447 CA PRO A 32 40.218 17.940 -0.578 1.00 1.00 C ATOM 448 C PRO A 32 38.845 18.248 0.018 1.00 1.00 C ATOM 449 O PRO A 32 38.729 19.035 0.956 1.00 1.00 O ATOM 450 CB PRO A 32 40.657 19.055 -1.536 1.00 1.00 C ATOM 451 CG PRO A 32 41.269 18.365 -2.709 1.00 1.00 C ATOM 452 CD PRO A 32 40.587 17.006 -2.813 1.00 1.00 C ATOM 0 HA PRO A 32 40.886 17.828 0.276 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.807 19.666 -1.841 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.374 19.722 -1.057 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.122 18.944 -3.621 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.345 18.250 -2.574 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.722 17.041 -3.475 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.262 16.248 -3.210 1.00 1.00 H new ATOM 460 N ALA A 33 37.812 17.621 -0.535 1.00 1.00 N ATOM 461 CA ALA A 33 36.453 17.836 -0.052 1.00 1.00 C ATOM 462 C ALA A 33 36.107 16.826 1.038 1.00 1.00 C ATOM 463 O ALA A 33 35.784 17.201 2.165 1.00 1.00 O ATOM 464 CB ALA A 33 35.460 17.702 -1.207 1.00 1.00 C ATOM 0 H ALA A 33 37.889 16.965 -1.312 1.00 1.00 H new ATOM 0 HA ALA A 33 36.391 18.841 0.365 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.448 17.864 -0.837 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.690 18.443 -1.972 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.534 16.703 -1.636 1.00 1.00 H new ATOM 470 N ILE A 34 36.177 15.544 0.694 1.00 1.00 N ATOM 471 CA ILE A 34 35.868 14.489 1.652 1.00 1.00 C ATOM 472 C ILE A 34 36.718 14.641 2.910 1.00 1.00 C ATOM 473 O ILE A 34 36.195 14.895 3.995 1.00 1.00 O ATOM 474 CB ILE A 34 36.129 13.119 1.022 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.253 12.957 -0.223 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.790 12.021 2.030 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.680 11.703 -0.988 1.00 1.00 C ATOM 0 H ILE A 34 36.443 15.212 -0.233 1.00 1.00 H new ATOM 0 HA ILE A 34 34.816 14.570 1.925 1.00 1.00 H new ATOM 0 HB ILE A 34 37.179 13.042 0.741 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.204 12.881 0.065 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.345 13.835 -0.862 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.976 11.045 1.581 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.412 12.137 2.917 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.740 12.097 2.311 1.00 1.00 H new ATOM 0 HD11 ILE A 34 35.056 11.588 -1.874 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.724 11.798 -1.288 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.565 10.829 -0.347 1.00 1.00 H new ATOM 489 N TYR A 35 38.028 14.485 2.756 1.00 1.00 N ATOM 490 CA TYR A 35 38.940 14.608 3.888 1.00 1.00 C ATOM 491 C TYR A 35 38.560 15.802 4.756 1.00 1.00 C ATOM 492 O TYR A 35 38.617 15.733 5.984 1.00 1.00 O ATOM 493 CB TYR A 35 40.375 14.777 3.385 1.00 1.00 C ATOM 494 CG TYR A 35 41.287 15.069 4.553 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.777 14.019 5.338 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.641 16.391 4.851 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.623 14.290 6.420 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.486 16.661 5.934 1.00 1.00 C ATOM 499 CZ TYR A 35 42.977 15.611 6.719 1.00 1.00 C ATOM 500 OH TYR A 35 43.810 15.878 7.786 1.00 1.00 O ATOM 0 H TYR A 35 38.480 14.275 1.866 1.00 1.00 H new ATOM 0 HA TYR A 35 38.869 13.701 4.488 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.701 13.872 2.873 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.424 15.589 2.660 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.503 13.000 5.109 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.262 17.201 4.246 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.003 13.479 7.024 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.759 17.680 6.164 1.00 1.00 H new ATOM 0 HH TYR A 35 43.956 16.845 7.853 1.00 1.00 H new ATOM 510 N MET A 36 38.170 16.897 4.111 1.00 1.00 N ATOM 511 CA MET A 36 37.783 18.102 4.835 1.00 1.00 C ATOM 512 C MET A 36 36.546 17.839 5.690 1.00 1.00 C ATOM 513 O MET A 36 36.576 18.002 6.909 1.00 1.00 O ATOM 514 CB MET A 36 37.493 19.235 3.849 1.00 1.00 C ATOM 515 CG MET A 36 38.670 20.211 3.831 1.00 1.00 C ATOM 516 SD MET A 36 38.663 21.193 5.351 1.00 1.00 S ATOM 517 CE MET A 36 37.552 22.499 4.772 1.00 1.00 C ATOM 0 H MET A 36 38.114 16.975 3.096 1.00 1.00 H new ATOM 0 HA MET A 36 38.607 18.392 5.487 1.00 1.00 H new ATOM 0 HB2 MET A 36 37.328 18.829 2.851 1.00 1.00 H new ATOM 0 HB3 MET A 36 36.580 19.756 4.136 1.00 1.00 H new ATOM 0 HG2 MET A 36 39.609 19.664 3.743 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.600 20.866 2.962 1.00 1.00 H new ATOM 0 HE1 MET A 36 37.404 23.230 5.567 1.00 1.00 H new ATOM 0 HE2 MET A 36 37.990 22.991 3.904 1.00 1.00 H new ATOM 0 HE3 MET A 36 36.591 22.064 4.496 1.00 1.00 H new ATOM 527 N LEU A 37 35.461 17.432 5.040 1.00 1.00 N ATOM 528 CA LEU A 37 34.217 17.149 5.750 1.00 1.00 C ATOM 529 C LEU A 37 34.317 15.822 6.494 1.00 1.00 C ATOM 530 O LEU A 37 33.321 15.115 6.658 1.00 1.00 O ATOM 531 CB LEU A 37 33.052 17.097 4.761 1.00 1.00 C ATOM 532 CG LEU A 37 33.106 18.319 3.843 1.00 1.00 C ATOM 533 CD1 LEU A 37 31.938 18.269 2.855 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.007 19.593 4.683 1.00 1.00 C ATOM 0 H LEU A 37 35.416 17.291 4.031 1.00 1.00 H new ATOM 0 HA LEU A 37 34.042 17.946 6.473 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.104 16.183 4.170 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.105 17.075 5.300 1.00 1.00 H new ATOM 0 HG LEU A 37 34.047 18.317 3.293 1.00 1.00 H new ATOM 0 HD11 LEU A 37 31.977 19.140 2.201 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.007 17.362 2.255 1.00 1.00 H new ATOM 0 HD13 LEU A 37 30.997 18.270 3.404 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.046 20.464 4.029 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.066 19.594 5.233 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.839 19.631 5.386 1.00 1.00 H new ATOM 546 N VAL A 38 35.522 15.488 6.942 1.00 1.00 N ATOM 547 CA VAL A 38 35.739 14.242 7.668 1.00 1.00 C ATOM 548 C VAL A 38 36.678 14.466 8.850 1.00 1.00 C ATOM 549 O VAL A 38 36.695 13.682 9.798 1.00 1.00 O ATOM 550 CB VAL A 38 36.335 13.190 6.734 1.00 1.00 C ATOM 551 CG1 VAL A 38 36.935 12.051 7.560 1.00 1.00 C ATOM 552 CG2 VAL A 38 35.235 12.633 5.826 1.00 1.00 C ATOM 0 H VAL A 38 36.358 16.058 6.817 1.00 1.00 H new ATOM 0 HA VAL A 38 34.778 13.891 8.044 1.00 1.00 H new ATOM 0 HB VAL A 38 37.115 13.647 6.126 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.360 11.302 6.892 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.718 12.445 8.208 1.00 1.00 H new ATOM 0 HG13 VAL A 38 36.156 11.594 8.169 1.00 1.00 H new ATOM 0 HG21 VAL A 38 35.659 11.882 5.159 1.00 1.00 H new ATOM 0 HG22 VAL A 38 34.455 12.177 6.436 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.806 13.442 5.235 1.00 1.00 H new ATOM 562 N PHE A 39 37.456 15.541 8.785 1.00 1.00 N ATOM 563 CA PHE A 39 38.394 15.859 9.855 1.00 1.00 C ATOM 564 C PHE A 39 37.690 16.613 10.979 1.00 1.00 C ATOM 565 O PHE A 39 37.939 16.364 12.158 1.00 1.00 O ATOM 566 CB PHE A 39 39.542 16.709 9.309 1.00 1.00 C ATOM 567 CG PHE A 39 40.131 17.539 10.425 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.473 16.934 11.639 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.333 18.913 10.245 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.019 17.703 12.675 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.879 19.681 11.281 1.00 1.00 C ATOM 572 CZ PHE A 39 41.222 19.076 12.495 1.00 1.00 C ATOM 0 H PHE A 39 37.456 16.203 8.009 1.00 1.00 H new ATOM 0 HA PHE A 39 38.791 14.925 10.253 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.309 16.067 8.875 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.180 17.358 8.511 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.316 15.874 11.778 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.068 19.380 9.308 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.283 17.236 13.612 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.035 20.741 11.143 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.644 19.669 13.293 1.00 1.00 H new ATOM 582 N LEU A 40 36.809 17.535 10.604 1.00 1.00 N ATOM 583 CA LEU A 40 36.074 18.320 11.589 1.00 1.00 C ATOM 584 C LEU A 40 34.659 17.777 11.759 1.00 1.00 C ATOM 585 O LEU A 40 33.926 18.196 12.655 1.00 1.00 O ATOM 586 CB LEU A 40 36.011 19.784 11.149 1.00 1.00 C ATOM 587 CG LEU A 40 35.497 19.864 9.712 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.454 20.977 9.603 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.665 20.166 8.769 1.00 1.00 C ATOM 0 H LEU A 40 36.588 17.756 9.633 1.00 1.00 H new ATOM 0 HA LEU A 40 36.595 18.250 12.544 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.354 20.346 11.813 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.999 20.238 11.219 1.00 1.00 H new ATOM 0 HG LEU A 40 35.042 18.913 9.436 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.088 21.033 8.578 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.622 20.763 10.274 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.907 21.929 9.879 1.00 1.00 H new ATOM 0 HD21 LEU A 40 36.299 20.223 7.744 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.120 21.117 9.046 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.409 19.373 8.845 1.00 1.00 H new ATOM 601 N LEU A 41 34.281 16.843 10.892 1.00 1.00 N ATOM 602 CA LEU A 41 32.950 16.248 10.955 1.00 1.00 C ATOM 603 C LEU A 41 33.028 14.739 10.751 1.00 1.00 C ATOM 604 O LEU A 41 32.073 14.115 10.286 1.00 1.00 O ATOM 605 CB LEU A 41 32.052 16.864 9.881 1.00 1.00 C ATOM 606 CG LEU A 41 31.585 18.248 10.337 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.388 19.148 9.115 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.260 18.115 11.090 1.00 1.00 C ATOM 0 H LEU A 41 34.872 16.484 10.143 1.00 1.00 H new ATOM 0 HA LEU A 41 32.529 16.449 11.940 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.596 16.944 8.940 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.192 16.220 9.698 1.00 1.00 H new ATOM 0 HG LEU A 41 32.335 18.687 10.995 1.00 1.00 H new ATOM 0 HD11 LEU A 41 31.055 20.134 9.439 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.331 19.242 8.577 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.637 18.710 8.458 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.926 19.100 11.416 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.510 17.677 10.432 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.399 17.473 11.960 1.00 1.00 H new ATOM 620 N GLY A 42 34.170 14.157 11.103 1.00 1.00 N ATOM 621 CA GLY A 42 34.360 12.719 10.955 1.00 1.00 C ATOM 622 C GLY A 42 35.488 12.223 11.853 1.00 1.00 C ATOM 623 O GLY A 42 36.079 11.173 11.603 1.00 1.00 O ATOM 0 H GLY A 42 34.972 14.655 11.490 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.435 12.199 11.205 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.587 12.483 9.915 1.00 1.00 H new ATOM 627 N THR A 43 35.782 12.986 12.901 1.00 1.00 N ATOM 628 CA THR A 43 36.842 12.614 13.831 1.00 1.00 C ATOM 629 C THR A 43 36.813 13.513 15.063 1.00 1.00 C ATOM 630 O THR A 43 37.296 13.134 16.131 1.00 1.00 O ATOM 631 CB THR A 43 38.204 12.731 13.144 1.00 1.00 C ATOM 632 OG1 THR A 43 38.389 11.624 12.273 1.00 1.00 O ATOM 633 CG2 THR A 43 39.311 12.742 14.200 1.00 1.00 C ATOM 0 H THR A 43 35.305 13.859 13.126 1.00 1.00 H new ATOM 0 HA THR A 43 36.680 11.582 14.144 1.00 1.00 H new ATOM 0 HB THR A 43 38.244 13.657 12.570 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.596 11.049 12.302 1.00 1.00 H new ATOM 0 HG21 THR A 43 40.281 12.825 13.710 1.00 1.00 H new ATOM 0 HG22 THR A 43 39.168 13.591 14.868 1.00 1.00 H new ATOM 0 HG23 THR A 43 39.274 11.817 14.776 1.00 1.00 H new ATOM 641 N THR A 44 36.245 14.704 14.908 1.00 1.00 N ATOM 642 CA THR A 44 36.158 15.649 16.016 1.00 1.00 C ATOM 643 C THR A 44 34.760 15.637 16.623 1.00 1.00 C ATOM 644 O THR A 44 34.592 15.846 17.824 1.00 1.00 O ATOM 645 CB THR A 44 36.492 17.060 15.527 1.00 1.00 C ATOM 646 OG1 THR A 44 37.901 17.192 15.394 1.00 1.00 O ATOM 647 CG2 THR A 44 35.973 18.087 16.533 1.00 1.00 C ATOM 0 H THR A 44 35.841 15.037 14.033 1.00 1.00 H new ATOM 0 HA THR A 44 36.876 15.350 16.780 1.00 1.00 H new ATOM 0 HB THR A 44 36.018 17.232 14.561 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.117 18.095 15.079 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.212 19.091 16.183 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.892 17.985 16.633 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.444 17.918 17.501 1.00 1.00 H new ATOM 655 N GLY A 45 33.758 15.390 15.785 1.00 1.00 N ATOM 656 CA GLY A 45 32.376 15.352 16.250 1.00 1.00 C ATOM 657 C GLY A 45 31.938 13.922 16.542 1.00 1.00 C ATOM 658 O GLY A 45 30.803 13.681 16.952 1.00 1.00 O ATOM 0 H GLY A 45 33.876 15.214 14.787 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.274 15.958 17.150 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.722 15.790 15.495 1.00 1.00 H new ATOM 662 N ASN A 46 32.846 12.975 16.325 1.00 1.00 N ATOM 663 CA ASN A 46 32.541 11.569 16.568 1.00 1.00 C ATOM 664 C ASN A 46 33.719 10.875 17.245 1.00 1.00 C ATOM 665 O ASN A 46 33.698 9.663 17.457 1.00 1.00 O ATOM 666 CB ASN A 46 32.223 10.868 15.247 1.00 1.00 C ATOM 667 CG ASN A 46 33.381 9.958 14.849 1.00 1.00 C ATOM 668 OD1 ASN A 46 34.506 10.486 14.452 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 33.255 8.735 14.899 1.00 1.00 N flip ATOM 0 H ASN A 46 33.791 13.153 15.984 1.00 1.00 H new ATOM 0 HA ASN A 46 31.674 11.513 17.226 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.308 10.284 15.346 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.046 11.608 14.466 1.00 1.00 H new ATOM 0 HD21 ASN A 46 32.374 8.325 15.210 1.00 1.00 H new ATOM 0 HD22 ASN A 46 34.031 8.131 14.630 1.00 1.00 H new ATOM 676 N GLY A 47 34.744 11.651 17.581 1.00 1.00 N ATOM 677 CA GLY A 47 35.926 11.100 18.234 1.00 1.00 C ATOM 678 C GLY A 47 35.846 11.278 19.746 1.00 1.00 C ATOM 679 O GLY A 47 36.859 11.214 20.442 1.00 1.00 O ATOM 0 H GLY A 47 34.781 12.656 17.413 1.00 1.00 H new ATOM 0 HA2 GLY A 47 36.019 10.041 17.993 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.820 11.593 17.853 1.00 1.00 H new ATOM 683 N LEU A 48 34.635 11.499 20.247 1.00 1.00 N ATOM 684 CA LEU A 48 34.431 11.685 21.679 1.00 1.00 C ATOM 685 C LEU A 48 33.226 10.881 22.158 1.00 1.00 C ATOM 686 O LEU A 48 33.160 10.474 23.318 1.00 1.00 O ATOM 687 CB LEU A 48 34.213 13.167 21.989 1.00 1.00 C ATOM 688 CG LEU A 48 35.544 13.912 21.888 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.332 15.243 21.164 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.086 14.180 23.293 1.00 1.00 C ATOM 0 H LEU A 48 33.785 11.553 19.686 1.00 1.00 H new ATOM 0 HA LEU A 48 35.320 11.332 22.201 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.492 13.593 21.291 1.00 1.00 H new ATOM 0 HB3 LEU A 48 33.795 13.282 22.989 1.00 1.00 H new ATOM 0 HG LEU A 48 36.257 13.304 21.331 1.00 1.00 H new ATOM 0 HD11 LEU A 48 36.281 15.774 21.092 1.00 1.00 H new ATOM 0 HD12 LEU A 48 34.945 15.055 20.163 1.00 1.00 H new ATOM 0 HD13 LEU A 48 34.618 15.850 21.721 1.00 1.00 H new ATOM 0 HD21 LEU A 48 37.035 14.711 23.222 1.00 1.00 H new ATOM 0 HD22 LEU A 48 35.371 14.787 23.849 1.00 1.00 H new ATOM 0 HD23 LEU A 48 36.238 13.233 23.811 1.00 1.00 H new ATOM 702 N VAL A 49 32.276 10.658 21.256 1.00 1.00 N ATOM 703 CA VAL A 49 31.075 9.903 21.596 1.00 1.00 C ATOM 704 C VAL A 49 31.395 8.416 21.714 1.00 1.00 C ATOM 705 O VAL A 49 30.495 7.576 21.728 1.00 1.00 O ATOM 706 CB VAL A 49 30.006 10.117 20.522 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.535 9.625 19.173 1.00 1.00 C ATOM 708 CG2 VAL A 49 28.743 9.332 20.888 1.00 1.00 C ATOM 0 H VAL A 49 32.313 10.986 20.291 1.00 1.00 H new ATOM 0 HA VAL A 49 30.700 10.258 22.556 1.00 1.00 H new ATOM 0 HB VAL A 49 29.767 11.178 20.457 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.775 9.777 18.407 1.00 1.00 H new ATOM 0 HG12 VAL A 49 31.433 10.183 18.909 1.00 1.00 H new ATOM 0 HG13 VAL A 49 30.775 8.564 19.241 1.00 1.00 H new ATOM 0 HG21 VAL A 49 27.984 9.486 20.121 1.00 1.00 H new ATOM 0 HG22 VAL A 49 28.981 8.270 20.954 1.00 1.00 H new ATOM 0 HG23 VAL A 49 28.364 9.680 21.849 1.00 1.00 H new ATOM 718 N LEU A 50 32.682 8.097 21.798 1.00 1.00 N ATOM 719 CA LEU A 50 33.109 6.708 21.913 1.00 1.00 C ATOM 720 C LEU A 50 34.340 6.595 22.807 1.00 1.00 C ATOM 721 O LEU A 50 34.960 5.536 22.895 1.00 1.00 O ATOM 722 CB LEU A 50 33.426 6.135 20.529 1.00 1.00 C ATOM 723 CG LEU A 50 34.043 7.221 19.643 1.00 1.00 C ATOM 724 CD1 LEU A 50 35.294 7.787 20.318 1.00 1.00 C ATOM 725 CD2 LEU A 50 34.426 6.615 18.291 1.00 1.00 C ATOM 0 H LEU A 50 33.443 8.776 21.789 1.00 1.00 H new ATOM 0 HA LEU A 50 32.295 6.138 22.361 1.00 1.00 H new ATOM 0 HB2 LEU A 50 34.115 5.295 20.623 1.00 1.00 H new ATOM 0 HB3 LEU A 50 32.516 5.751 20.068 1.00 1.00 H new ATOM 0 HG LEU A 50 33.319 8.022 19.495 1.00 1.00 H new ATOM 0 HD11 LEU A 50 35.731 8.560 19.685 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.024 8.218 21.282 1.00 1.00 H new ATOM 0 HD13 LEU A 50 36.020 6.988 20.468 1.00 1.00 H new ATOM 0 HD21 LEU A 50 34.866 7.386 17.658 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.150 5.814 18.443 1.00 1.00 H new ATOM 0 HD23 LEU A 50 33.536 6.213 17.807 1.00 1.00 H new ATOM 737 N TRP A 51 34.688 7.695 23.469 1.00 1.00 N ATOM 738 CA TRP A 51 35.846 7.708 24.356 1.00 1.00 C ATOM 739 C TRP A 51 35.404 7.646 25.814 1.00 1.00 C ATOM 740 O TRP A 51 35.862 6.792 26.576 1.00 1.00 O ATOM 741 CB TRP A 51 36.666 8.979 24.124 1.00 1.00 C ATOM 742 CG TRP A 51 37.348 9.370 25.396 1.00 1.00 C ATOM 743 CD1 TRP A 51 38.361 8.687 25.977 1.00 1.00 C ATOM 744 CD2 TRP A 51 37.085 10.519 26.252 1.00 1.00 C ATOM 745 NE1 TRP A 51 38.738 9.343 27.134 1.00 1.00 N ATOM 746 CE2 TRP A 51 37.981 10.478 27.348 1.00 1.00 C ATOM 747 CE3 TRP A 51 36.167 11.583 26.186 1.00 1.00 C ATOM 748 CZ2 TRP A 51 37.965 11.458 28.342 1.00 1.00 C ATOM 749 CZ3 TRP A 51 36.149 12.570 27.185 1.00 1.00 C ATOM 750 CH2 TRP A 51 37.047 12.507 28.261 1.00 1.00 C ATOM 0 H TRP A 51 34.189 8.582 23.409 1.00 1.00 H new ATOM 0 HA TRP A 51 36.459 6.834 24.136 1.00 1.00 H new ATOM 0 HB2 TRP A 51 37.404 8.811 23.340 1.00 1.00 H new ATOM 0 HB3 TRP A 51 36.017 9.786 23.783 1.00 1.00 H new ATOM 0 HD1 TRP A 51 38.803 7.777 25.599 1.00 1.00 H new ATOM 0 HE1 TRP A 51 39.484 9.027 27.754 1.00 1.00 H new ATOM 0 HE3 TRP A 51 35.472 11.641 25.362 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 38.658 11.405 29.168 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 35.440 13.382 27.125 1.00 1.00 H new ATOM 0 HH2 TRP A 51 37.028 13.269 29.026 1.00 1.00 H new ATOM 761 N THR A 52 34.512 8.554 26.196 1.00 1.00 N ATOM 762 CA THR A 52 34.014 8.592 27.566 1.00 1.00 C ATOM 763 C THR A 52 32.923 7.547 27.768 1.00 1.00 C ATOM 764 O THR A 52 32.743 7.028 28.870 1.00 1.00 O ATOM 765 CB THR A 52 33.457 9.983 27.880 1.00 1.00 C ATOM 766 OG1 THR A 52 33.050 10.032 29.240 1.00 1.00 O ATOM 767 CG2 THR A 52 32.258 10.269 26.974 1.00 1.00 C ATOM 0 H THR A 52 34.122 9.268 25.581 1.00 1.00 H new ATOM 0 HA THR A 52 34.841 8.371 28.241 1.00 1.00 H new ATOM 0 HB THR A 52 34.228 10.733 27.705 1.00 1.00 H new ATOM 0 HG1 THR A 52 32.695 10.922 29.443 1.00 1.00 H new ATOM 0 HG21 THR A 52 31.861 11.259 27.197 1.00 1.00 H new ATOM 0 HG22 THR A 52 32.573 10.231 25.931 1.00 1.00 H new ATOM 0 HG23 THR A 52 31.485 9.521 27.147 1.00 1.00 H new ATOM 775 N VAL A 53 32.196 7.244 26.697 1.00 1.00 N ATOM 776 CA VAL A 53 31.123 6.259 26.767 1.00 1.00 C ATOM 777 C VAL A 53 31.693 4.852 26.916 1.00 1.00 C ATOM 778 O VAL A 53 31.163 4.033 27.665 1.00 1.00 O ATOM 779 CB VAL A 53 30.264 6.333 25.505 1.00 1.00 C ATOM 780 CG1 VAL A 53 29.374 5.092 25.418 1.00 1.00 C ATOM 781 CG2 VAL A 53 29.387 7.586 25.558 1.00 1.00 C ATOM 0 H VAL A 53 32.329 7.663 25.777 1.00 1.00 H new ATOM 0 HA VAL A 53 30.508 6.482 27.639 1.00 1.00 H new ATOM 0 HB VAL A 53 30.911 6.378 24.629 1.00 1.00 H new ATOM 0 HG11 VAL A 53 28.762 5.146 24.518 1.00 1.00 H new ATOM 0 HG12 VAL A 53 29.998 4.199 25.380 1.00 1.00 H new ATOM 0 HG13 VAL A 53 28.727 5.046 26.294 1.00 1.00 H new ATOM 0 HG21 VAL A 53 28.774 7.639 24.658 1.00 1.00 H new ATOM 0 HG22 VAL A 53 28.741 7.541 26.435 1.00 1.00 H new ATOM 0 HG23 VAL A 53 30.020 8.471 25.619 1.00 1.00 H new ATOM 791 N PHE A 54 32.776 4.579 26.195 1.00 1.00 N ATOM 792 CA PHE A 54 33.410 3.267 26.254 1.00 1.00 C ATOM 793 C PHE A 54 33.818 2.931 27.685 1.00 1.00 C ATOM 794 O PHE A 54 34.121 1.780 28.000 1.00 1.00 O ATOM 795 CB PHE A 54 34.645 3.242 25.350 1.00 1.00 C ATOM 796 CG PHE A 54 34.535 2.092 24.378 1.00 1.00 C ATOM 797 CD1 PHE A 54 34.734 0.779 24.822 1.00 1.00 C ATOM 798 CD2 PHE A 54 34.235 2.339 23.033 1.00 1.00 C ATOM 799 CE1 PHE A 54 34.633 -0.287 23.920 1.00 1.00 C ATOM 800 CE2 PHE A 54 34.132 1.272 22.132 1.00 1.00 C ATOM 801 CZ PHE A 54 34.332 -0.041 22.575 1.00 1.00 C ATOM 0 H PHE A 54 33.230 5.243 25.568 1.00 1.00 H new ATOM 0 HA PHE A 54 32.692 2.523 25.909 1.00 1.00 H new ATOM 0 HB2 PHE A 54 34.731 4.184 24.808 1.00 1.00 H new ATOM 0 HB3 PHE A 54 35.548 3.138 25.952 1.00 1.00 H new ATOM 0 HD1 PHE A 54 34.965 0.589 25.860 1.00 1.00 H new ATOM 0 HD2 PHE A 54 34.083 3.352 22.691 1.00 1.00 H new ATOM 0 HE1 PHE A 54 34.787 -1.300 24.262 1.00 1.00 H new ATOM 0 HE2 PHE A 54 33.898 1.462 21.095 1.00 1.00 H new ATOM 0 HZ PHE A 54 34.254 -0.864 21.880 1.00 1.00 H new ATOM 811 N ARG A 55 33.823 3.943 28.547 1.00 1.00 N ATOM 812 CA ARG A 55 34.195 3.744 29.942 1.00 1.00 C ATOM 813 C ARG A 55 32.954 3.701 30.828 1.00 1.00 C ATOM 814 O ARG A 55 33.055 3.649 32.054 1.00 1.00 O ATOM 815 CB ARG A 55 35.114 4.876 30.405 1.00 1.00 C ATOM 816 CG ARG A 55 35.727 5.568 29.185 1.00 1.00 C ATOM 817 CD ARG A 55 36.768 6.589 29.645 1.00 1.00 C ATOM 818 NE ARG A 55 37.885 5.913 30.296 1.00 1.00 N ATOM 819 CZ ARG A 55 38.862 6.603 30.875 1.00 1.00 C ATOM 820 NH1 ARG A 55 38.833 7.908 30.866 1.00 1.00 N ATOM 821 NH2 ARG A 55 39.851 5.976 31.451 1.00 1.00 N ATOM 0 H ARG A 55 33.575 4.903 28.306 1.00 1.00 H new ATOM 0 HA ARG A 55 34.720 2.792 30.025 1.00 1.00 H new ATOM 0 HB2 ARG A 55 34.551 5.595 31.000 1.00 1.00 H new ATOM 0 HB3 ARG A 55 35.902 4.480 31.046 1.00 1.00 H new ATOM 0 HG2 ARG A 55 36.191 4.830 28.530 1.00 1.00 H new ATOM 0 HG3 ARG A 55 34.948 6.063 28.605 1.00 1.00 H new ATOM 0 HD2 ARG A 55 37.128 7.162 28.790 1.00 1.00 H new ATOM 0 HD3 ARG A 55 36.311 7.299 30.335 1.00 1.00 H new ATOM 0 HE ARG A 55 37.917 4.894 30.307 1.00 1.00 H new ATOM 0 HH11 ARG A 55 38.061 8.398 30.415 1.00 1.00 H new ATOM 0 HH12 ARG A 55 39.583 8.438 31.310 1.00 1.00 H new ATOM 0 HH21 ARG A 55 39.874 4.956 31.457 1.00 1.00 H new ATOM 0 HH22 ARG A 55 40.601 6.506 31.895 1.00 1.00 H new ATOM 835 N LYS A 56 31.782 3.723 30.199 1.00 1.00 N ATOM 836 CA LYS A 56 30.528 3.686 30.941 1.00 1.00 C ATOM 837 C LYS A 56 29.932 2.283 30.917 1.00 1.00 C ATOM 838 O LYS A 56 29.971 1.564 31.917 1.00 1.00 O ATOM 839 CB LYS A 56 29.532 4.676 30.333 1.00 1.00 C ATOM 840 CG LYS A 56 29.320 5.845 31.297 1.00 1.00 C ATOM 841 CD LYS A 56 30.655 6.551 31.544 1.00 1.00 C ATOM 842 CE LYS A 56 30.489 8.053 31.313 1.00 1.00 C ATOM 843 NZ LYS A 56 30.228 8.308 29.867 1.00 1.00 N ATOM 0 H LYS A 56 31.676 3.766 29.185 1.00 1.00 H new ATOM 0 HA LYS A 56 30.731 3.964 31.975 1.00 1.00 H new ATOM 0 HB2 LYS A 56 29.905 5.043 29.377 1.00 1.00 H new ATOM 0 HB3 LYS A 56 28.583 4.178 30.135 1.00 1.00 H new ATOM 0 HG2 LYS A 56 28.597 6.547 30.881 1.00 1.00 H new ATOM 0 HG3 LYS A 56 28.908 5.483 32.239 1.00 1.00 H new ATOM 0 HD2 LYS A 56 30.994 6.364 32.563 1.00 1.00 H new ATOM 0 HD3 LYS A 56 31.418 6.152 30.876 1.00 1.00 H new ATOM 0 HE2 LYS A 56 29.665 8.435 31.915 1.00 1.00 H new ATOM 0 HE3 LYS A 56 31.388 8.582 31.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 30.366 9.318 29.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 30.886 7.745 29.291 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 29.250 8.039 29.638 1.00 1.00 H new