USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 454 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 29 THR OG1 : rot 78:sc= 0.761 USER MOD Set 1.2: A 58 TYR OH : rot -121:sc= 0.869 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.236 K(o=0.081,f=-10!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 47 GLN :FLIP amide:sc= -0.155 F(o=-0.57,f=0.081) USER MOD Set 3.1: A 15 TYR OH : rot -75:sc= -1.32! USER MOD Set 3.2: A 40 TYR OH : rot 150:sc= -0.195 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.101 (180deg=-0.53) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= 1.61 (180deg=1.24) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00588 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.854 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 32 TYR OH : rot 20:sc= 1.32 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.136 F(o=-1.5!,f=-0.14) USER MOD Single : A 37 SER OG : rot 95:sc= 1.24 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.689 -11.343 -7.208 1.00 0.00 N ATOM 2 CA GLY A 1 -24.592 -10.516 -6.654 1.00 0.00 C ATOM 3 C GLY A 1 -23.616 -10.104 -7.729 1.00 0.00 C ATOM 4 O GLY A 1 -24.010 -9.467 -8.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.342 -11.610 -6.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.204 -10.799 -7.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.292 -12.202 -7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.008 -9.628 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.068 -11.076 -5.880 1.00 0.00 H new ATOM 10 N ALA A 2 -22.351 -10.484 -7.545 1.00 0.00 N ATOM 11 CA ALA A 2 -21.282 -10.207 -8.506 1.00 0.00 C ATOM 12 C ALA A 2 -20.901 -8.731 -8.513 1.00 0.00 C ATOM 13 O ALA A 2 -21.758 -7.849 -8.420 1.00 0.00 O ATOM 14 CB ALA A 2 -21.657 -10.680 -9.908 1.00 0.00 C ATOM 0 H ALA A 2 -22.037 -10.996 -6.720 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.407 -10.772 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.842 -10.459 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.838 -11.755 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.559 -10.164 -10.237 1.00 0.00 H new ATOM 20 N MET A 3 -19.596 -8.480 -8.607 1.00 0.00 N ATOM 21 CA MET A 3 -19.049 -7.124 -8.625 1.00 0.00 C ATOM 22 C MET A 3 -19.293 -6.424 -7.293 1.00 0.00 C ATOM 23 O MET A 3 -19.352 -5.195 -7.222 1.00 0.00 O ATOM 24 CB MET A 3 -19.648 -6.299 -9.773 1.00 0.00 C ATOM 25 CG MET A 3 -19.340 -6.850 -11.154 1.00 0.00 C ATOM 26 SD MET A 3 -20.165 -5.931 -12.470 1.00 0.00 S ATOM 27 CE MET A 3 -19.441 -4.306 -12.251 1.00 0.00 C ATOM 0 H MET A 3 -18.888 -9.211 -8.673 1.00 0.00 H new ATOM 0 HA MET A 3 -17.974 -7.205 -8.786 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.729 -6.249 -9.646 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.272 -5.278 -9.708 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.263 -6.825 -11.319 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.645 -7.895 -11.200 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.621 -3.704 -13.142 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.893 -3.820 -11.387 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.367 -4.405 -12.091 1.00 0.00 H new ATOM 37 N GLY A 4 -19.419 -7.208 -6.235 1.00 0.00 N ATOM 38 CA GLY A 4 -19.633 -6.643 -4.921 1.00 0.00 C ATOM 39 C GLY A 4 -18.323 -6.392 -4.212 1.00 0.00 C ATOM 40 O GLY A 4 -17.717 -5.327 -4.368 1.00 0.00 O ATOM 0 H GLY A 4 -19.377 -8.227 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.186 -5.708 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.247 -7.320 -4.327 1.00 0.00 H new ATOM 44 N THR A 5 -17.871 -7.379 -3.457 1.00 0.00 N ATOM 45 CA THR A 5 -16.608 -7.285 -2.750 1.00 0.00 C ATOM 46 C THR A 5 -15.436 -7.485 -3.708 1.00 0.00 C ATOM 47 O THR A 5 -14.988 -8.607 -3.951 1.00 0.00 O ATOM 48 CB THR A 5 -16.543 -8.310 -1.604 1.00 0.00 C ATOM 49 OG1 THR A 5 -17.264 -9.502 -1.964 1.00 0.00 O ATOM 50 CG2 THR A 5 -17.124 -7.725 -0.324 1.00 0.00 C ATOM 0 H THR A 5 -18.365 -8.260 -3.318 1.00 0.00 H new ATOM 0 HA THR A 5 -16.537 -6.286 -2.321 1.00 0.00 H new ATOM 0 HB THR A 5 -15.497 -8.561 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.215 -10.148 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.068 -8.466 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.555 -6.840 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.165 -7.449 -0.490 1.00 0.00 H new ATOM 58 N LYS A 6 -14.961 -6.384 -4.261 1.00 0.00 N ATOM 59 CA LYS A 6 -13.866 -6.405 -5.216 1.00 0.00 C ATOM 60 C LYS A 6 -12.564 -6.069 -4.512 1.00 0.00 C ATOM 61 O LYS A 6 -11.564 -6.768 -4.659 1.00 0.00 O ATOM 62 CB LYS A 6 -14.127 -5.395 -6.332 1.00 0.00 C ATOM 63 CG LYS A 6 -15.424 -5.640 -7.087 1.00 0.00 C ATOM 64 CD LYS A 6 -15.778 -4.462 -7.978 1.00 0.00 C ATOM 65 CE LYS A 6 -16.075 -3.215 -7.160 1.00 0.00 C ATOM 66 NZ LYS A 6 -17.302 -3.367 -6.331 1.00 0.00 N ATOM 0 H LYS A 6 -15.322 -5.451 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.792 -7.402 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.149 -4.392 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.296 -5.423 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.329 -6.541 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.232 -5.817 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.954 -4.262 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.646 -4.714 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.226 -2.996 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.194 -2.363 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.620 -2.431 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.052 -3.810 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.092 -3.966 -5.507 1.00 0.00 H new ATOM 80 N TYR A 7 -12.593 -4.991 -3.745 1.00 0.00 N ATOM 81 CA TYR A 7 -11.447 -4.561 -2.966 1.00 0.00 C ATOM 82 C TYR A 7 -11.888 -4.261 -1.546 1.00 0.00 C ATOM 83 O TYR A 7 -12.595 -3.281 -1.302 1.00 0.00 O ATOM 84 CB TYR A 7 -10.796 -3.322 -3.587 1.00 0.00 C ATOM 85 CG TYR A 7 -10.120 -3.585 -4.912 1.00 0.00 C ATOM 86 CD1 TYR A 7 -10.809 -3.438 -6.109 1.00 0.00 C ATOM 87 CD2 TYR A 7 -8.789 -3.977 -4.965 1.00 0.00 C ATOM 88 CE1 TYR A 7 -10.192 -3.680 -7.319 1.00 0.00 C ATOM 89 CE2 TYR A 7 -8.164 -4.220 -6.172 1.00 0.00 C ATOM 90 CZ TYR A 7 -8.870 -4.069 -7.346 1.00 0.00 C ATOM 91 OH TYR A 7 -8.252 -4.305 -8.554 1.00 0.00 O ATOM 0 H TYR A 7 -13.412 -4.391 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.708 -5.362 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.557 -2.554 -3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.061 -2.921 -2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.844 -3.129 -6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.233 -4.094 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.742 -3.565 -8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.129 -4.526 -6.196 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.321 -4.570 -8.399 1.00 0.00 H new ATOM 101 N ALA A 8 -11.504 -5.124 -0.622 1.00 0.00 N ATOM 102 CA ALA A 8 -11.851 -4.947 0.777 1.00 0.00 C ATOM 103 C ALA A 8 -10.640 -4.470 1.561 1.00 0.00 C ATOM 104 O ALA A 8 -9.621 -4.101 0.971 1.00 0.00 O ATOM 105 CB ALA A 8 -12.396 -6.244 1.359 1.00 0.00 C ATOM 0 H ALA A 8 -10.949 -5.958 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.630 -4.189 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.651 -6.093 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.288 -6.544 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.640 -7.025 1.278 1.00 0.00 H new ATOM 111 N VAL A 9 -10.747 -4.476 2.884 1.00 0.00 N ATOM 112 CA VAL A 9 -9.644 -4.056 3.734 1.00 0.00 C ATOM 113 C VAL A 9 -8.412 -4.936 3.502 1.00 0.00 C ATOM 114 O VAL A 9 -8.456 -6.155 3.670 1.00 0.00 O ATOM 115 CB VAL A 9 -10.036 -4.062 5.230 1.00 0.00 C ATOM 116 CG1 VAL A 9 -11.046 -2.960 5.522 1.00 0.00 C ATOM 117 CG2 VAL A 9 -10.601 -5.413 5.647 1.00 0.00 C ATOM 0 H VAL A 9 -11.584 -4.766 3.389 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.399 -3.030 3.460 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.132 -3.877 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.310 -2.979 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.610 -1.992 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.942 -3.119 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.867 -5.386 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.489 -5.635 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.852 -6.187 5.482 1.00 0.00 H new ATOM 127 N PRO A 10 -7.303 -4.322 3.074 1.00 0.00 N ATOM 128 CA PRO A 10 -6.079 -5.042 2.753 1.00 0.00 C ATOM 129 C PRO A 10 -5.252 -5.375 3.989 1.00 0.00 C ATOM 130 O PRO A 10 -5.022 -4.520 4.852 1.00 0.00 O ATOM 131 CB PRO A 10 -5.334 -4.064 1.848 1.00 0.00 C ATOM 132 CG PRO A 10 -5.782 -2.711 2.283 1.00 0.00 C ATOM 133 CD PRO A 10 -7.163 -2.871 2.863 1.00 0.00 C ATOM 0 HA PRO A 10 -6.279 -6.008 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.255 -4.174 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.572 -4.239 0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.098 -2.298 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.795 -2.019 1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.268 -2.321 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.926 -2.492 2.183 1.00 0.00 H new ATOM 141 N ASP A 11 -4.814 -6.620 4.065 1.00 0.00 N ATOM 142 CA ASP A 11 -3.989 -7.082 5.170 1.00 0.00 C ATOM 143 C ASP A 11 -2.520 -7.040 4.781 1.00 0.00 C ATOM 144 O ASP A 11 -2.128 -7.598 3.761 1.00 0.00 O ATOM 145 CB ASP A 11 -4.375 -8.504 5.566 1.00 0.00 C ATOM 146 CG ASP A 11 -3.447 -9.074 6.614 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.584 -8.705 7.798 1.00 0.00 O ATOM 148 OD2 ASP A 11 -2.585 -9.902 6.257 1.00 0.00 O ATOM 0 H ASP A 11 -5.018 -7.336 3.368 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.153 -6.421 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.397 -8.509 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.360 -9.143 4.683 1.00 0.00 H new ATOM 153 N THR A 12 -1.710 -6.392 5.598 1.00 0.00 N ATOM 154 CA THR A 12 -0.312 -6.180 5.264 1.00 0.00 C ATOM 155 C THR A 12 0.570 -7.348 5.700 1.00 0.00 C ATOM 156 O THR A 12 1.751 -7.410 5.351 1.00 0.00 O ATOM 157 CB THR A 12 0.202 -4.870 5.882 1.00 0.00 C ATOM 158 OG1 THR A 12 -0.109 -4.822 7.282 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.424 -3.681 5.175 1.00 0.00 C ATOM 0 H THR A 12 -1.995 -6.003 6.497 1.00 0.00 H new ATOM 0 HA THR A 12 -0.253 -6.111 4.178 1.00 0.00 H new ATOM 0 HB THR A 12 1.284 -4.830 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.226 -3.983 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.054 -2.757 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.160 -3.706 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.508 -3.725 5.279 1.00 0.00 H new ATOM 167 N SER A 13 -0.008 -8.283 6.438 1.00 0.00 N ATOM 168 CA SER A 13 0.724 -9.462 6.874 1.00 0.00 C ATOM 169 C SER A 13 0.985 -10.379 5.685 1.00 0.00 C ATOM 170 O SER A 13 2.071 -10.945 5.542 1.00 0.00 O ATOM 171 CB SER A 13 -0.061 -10.208 7.953 1.00 0.00 C ATOM 172 OG SER A 13 -0.371 -9.356 9.045 1.00 0.00 O ATOM 0 H SER A 13 -0.979 -8.249 6.747 1.00 0.00 H new ATOM 0 HA SER A 13 1.678 -9.147 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.982 -10.606 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.521 -11.059 8.306 1.00 0.00 H new ATOM 0 HG SER A 13 -0.874 -9.858 9.719 1.00 0.00 H new ATOM 178 N THR A 14 -0.009 -10.489 4.813 1.00 0.00 N ATOM 179 CA THR A 14 0.084 -11.357 3.650 1.00 0.00 C ATOM 180 C THR A 14 0.795 -10.653 2.488 1.00 0.00 C ATOM 181 O THR A 14 0.839 -11.169 1.369 1.00 0.00 O ATOM 182 CB THR A 14 -1.316 -11.836 3.196 1.00 0.00 C ATOM 183 OG1 THR A 14 -1.199 -12.784 2.125 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.182 -10.664 2.750 1.00 0.00 C ATOM 0 H THR A 14 -0.892 -9.985 4.891 1.00 0.00 H new ATOM 0 HA THR A 14 0.672 -12.227 3.943 1.00 0.00 H new ATOM 0 HB THR A 14 -1.795 -12.315 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.474 -12.512 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.159 -11.032 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.305 -9.967 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.702 -10.154 1.915 1.00 0.00 H new ATOM 192 N TYR A 15 1.351 -9.478 2.758 1.00 0.00 N ATOM 193 CA TYR A 15 2.105 -8.752 1.747 1.00 0.00 C ATOM 194 C TYR A 15 3.511 -9.322 1.629 1.00 0.00 C ATOM 195 O TYR A 15 3.998 -10.005 2.532 1.00 0.00 O ATOM 196 CB TYR A 15 2.167 -7.255 2.064 1.00 0.00 C ATOM 197 CG TYR A 15 0.909 -6.497 1.700 1.00 0.00 C ATOM 198 CD1 TYR A 15 -0.257 -7.168 1.356 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.891 -5.108 1.695 1.00 0.00 C ATOM 200 CE1 TYR A 15 -1.403 -6.480 1.017 1.00 0.00 C ATOM 201 CE2 TYR A 15 -0.254 -4.411 1.359 1.00 0.00 C ATOM 202 CZ TYR A 15 -1.399 -5.103 1.022 1.00 0.00 C ATOM 203 OH TYR A 15 -2.536 -4.413 0.677 1.00 0.00 O ATOM 0 H TYR A 15 1.294 -9.011 3.663 1.00 0.00 H new ATOM 0 HA TYR A 15 1.589 -8.872 0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.361 -7.127 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.011 -6.816 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.267 -8.248 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.786 -4.564 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.300 -7.019 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.253 -3.331 1.360 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.663 -4.456 -0.294 1.00 0.00 H new ATOM 213 N GLN A 16 4.164 -9.026 0.523 1.00 0.00 N ATOM 214 CA GLN A 16 5.477 -9.580 0.238 1.00 0.00 C ATOM 215 C GLN A 16 6.540 -8.516 0.463 1.00 0.00 C ATOM 216 O GLN A 16 6.688 -7.602 -0.344 1.00 0.00 O ATOM 217 CB GLN A 16 5.526 -10.084 -1.205 1.00 0.00 C ATOM 218 CG GLN A 16 4.300 -10.891 -1.596 1.00 0.00 C ATOM 219 CD GLN A 16 4.379 -11.452 -2.999 1.00 0.00 C ATOM 220 OE1 GLN A 16 5.035 -10.890 -3.879 1.00 0.00 O ATOM 221 NE2 GLN A 16 3.684 -12.551 -3.222 1.00 0.00 N ATOM 0 H GLN A 16 3.806 -8.401 -0.199 1.00 0.00 H new ATOM 0 HA GLN A 16 5.669 -10.419 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.623 -9.232 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.416 -10.699 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.173 -11.712 -0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.416 -10.259 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.155 -12.983 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.675 -12.969 -4.152 1.00 0.00 H new ATOM 230 N TYR A 17 7.260 -8.620 1.572 1.00 0.00 N ATOM 231 CA TYR A 17 8.241 -7.613 1.939 1.00 0.00 C ATOM 232 C TYR A 17 9.338 -7.494 0.881 1.00 0.00 C ATOM 233 O TYR A 17 10.130 -8.414 0.674 1.00 0.00 O ATOM 234 CB TYR A 17 8.850 -7.931 3.305 1.00 0.00 C ATOM 235 CG TYR A 17 9.833 -6.885 3.781 1.00 0.00 C ATOM 236 CD1 TYR A 17 11.182 -7.183 3.920 1.00 0.00 C ATOM 237 CD2 TYR A 17 9.411 -5.595 4.081 1.00 0.00 C ATOM 238 CE1 TYR A 17 12.083 -6.225 4.346 1.00 0.00 C ATOM 239 CE2 TYR A 17 10.306 -4.632 4.508 1.00 0.00 C ATOM 240 CZ TYR A 17 11.642 -4.953 4.639 1.00 0.00 C ATOM 241 OH TYR A 17 12.539 -3.997 5.068 1.00 0.00 O ATOM 0 H TYR A 17 7.181 -9.393 2.232 1.00 0.00 H new ATOM 0 HA TYR A 17 7.727 -6.653 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.049 -8.027 4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.354 -8.896 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.533 -8.179 3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.366 -5.341 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.129 -6.473 4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 17 9.962 -3.634 4.738 1.00 0.00 H new ATOM 0 HH TYR A 17 12.066 -3.154 5.230 1.00 0.00 H new ATOM 251 N ASP A 18 9.363 -6.352 0.215 1.00 0.00 N ATOM 252 CA ASP A 18 10.375 -6.062 -0.784 1.00 0.00 C ATOM 253 C ASP A 18 11.617 -5.555 -0.079 1.00 0.00 C ATOM 254 O ASP A 18 11.718 -4.375 0.256 1.00 0.00 O ATOM 255 CB ASP A 18 9.871 -5.011 -1.778 1.00 0.00 C ATOM 256 CG ASP A 18 10.734 -4.905 -3.022 1.00 0.00 C ATOM 257 OD1 ASP A 18 10.170 -4.865 -4.138 1.00 0.00 O ATOM 258 OD2 ASP A 18 11.975 -4.867 -2.892 1.00 0.00 O ATOM 0 H ASP A 18 8.684 -5.603 0.352 1.00 0.00 H new ATOM 0 HA ASP A 18 10.604 -6.970 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.850 -5.257 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.836 -4.040 -1.284 1.00 0.00 H new ATOM 263 N GLU A 19 12.550 -6.454 0.149 1.00 0.00 N ATOM 264 CA GLU A 19 13.733 -6.163 0.945 1.00 0.00 C ATOM 265 C GLU A 19 14.705 -5.290 0.181 1.00 0.00 C ATOM 266 O GLU A 19 15.538 -4.595 0.765 1.00 0.00 O ATOM 267 CB GLU A 19 14.388 -7.475 1.328 1.00 0.00 C ATOM 268 CG GLU A 19 14.947 -8.261 0.154 1.00 0.00 C ATOM 269 CD GLU A 19 15.320 -9.675 0.542 1.00 0.00 C ATOM 270 OE1 GLU A 19 16.500 -9.919 0.861 1.00 0.00 O ATOM 271 OE2 GLU A 19 14.425 -10.544 0.542 1.00 0.00 O ATOM 0 H GLU A 19 12.514 -7.408 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 19 13.440 -5.615 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.195 -7.273 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.658 -8.094 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.209 -8.288 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.826 -7.749 -0.239 1.00 0.00 H new ATOM 278 N SER A 20 14.577 -5.335 -1.122 1.00 0.00 N ATOM 279 CA SER A 20 15.422 -4.580 -2.010 1.00 0.00 C ATOM 280 C SER A 20 14.945 -3.130 -2.124 1.00 0.00 C ATOM 281 O SER A 20 15.703 -2.245 -2.526 1.00 0.00 O ATOM 282 CB SER A 20 15.414 -5.271 -3.363 1.00 0.00 C ATOM 283 OG SER A 20 16.236 -6.430 -3.347 1.00 0.00 O ATOM 0 H SER A 20 13.876 -5.902 -1.599 1.00 0.00 H new ATOM 0 HA SER A 20 16.439 -4.544 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.394 -5.548 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.766 -4.581 -4.130 1.00 0.00 H new ATOM 0 HG SER A 20 16.214 -6.859 -4.228 1.00 0.00 H new ATOM 289 N SER A 21 13.690 -2.892 -1.763 1.00 0.00 N ATOM 290 CA SER A 21 13.133 -1.549 -1.812 1.00 0.00 C ATOM 291 C SER A 21 12.901 -0.998 -0.403 1.00 0.00 C ATOM 292 O SER A 21 12.999 0.209 -0.173 1.00 0.00 O ATOM 293 CB SER A 21 11.825 -1.557 -2.608 1.00 0.00 C ATOM 294 OG SER A 21 11.374 -0.244 -2.892 1.00 0.00 O ATOM 0 H SER A 21 13.043 -3.609 -1.435 1.00 0.00 H new ATOM 0 HA SER A 21 13.849 -0.896 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.971 -2.101 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.060 -2.090 -2.044 1.00 0.00 H new ATOM 0 HG SER A 21 10.538 -0.288 -3.402 1.00 0.00 H new ATOM 300 N GLY A 22 12.616 -1.891 0.543 1.00 0.00 N ATOM 301 CA GLY A 22 12.422 -1.478 1.923 1.00 0.00 C ATOM 302 C GLY A 22 10.962 -1.237 2.252 1.00 0.00 C ATOM 303 O GLY A 22 10.641 -0.580 3.242 1.00 0.00 O ATOM 0 H GLY A 22 12.516 -2.893 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.820 -2.244 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.990 -0.566 2.110 1.00 0.00 H new ATOM 307 N TYR A 23 10.079 -1.773 1.421 1.00 0.00 N ATOM 308 CA TYR A 23 8.643 -1.595 1.596 1.00 0.00 C ATOM 309 C TYR A 23 7.927 -2.917 1.379 1.00 0.00 C ATOM 310 O TYR A 23 8.486 -3.833 0.790 1.00 0.00 O ATOM 311 CB TYR A 23 8.110 -0.557 0.603 1.00 0.00 C ATOM 312 CG TYR A 23 8.665 0.831 0.812 1.00 0.00 C ATOM 313 CD1 TYR A 23 9.685 1.328 0.008 1.00 0.00 C ATOM 314 CD2 TYR A 23 8.170 1.641 1.819 1.00 0.00 C ATOM 315 CE1 TYR A 23 10.194 2.599 0.210 1.00 0.00 C ATOM 316 CE2 TYR A 23 8.671 2.908 2.025 1.00 0.00 C ATOM 317 CZ TYR A 23 9.681 3.384 1.220 1.00 0.00 C ATOM 318 OH TYR A 23 10.181 4.648 1.433 1.00 0.00 O ATOM 0 H TYR A 23 10.334 -2.339 0.612 1.00 0.00 H new ATOM 0 HA TYR A 23 8.458 -1.244 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.346 -0.883 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.023 -0.519 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.085 0.714 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.378 1.274 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.988 2.973 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.272 3.526 2.816 1.00 0.00 H new ATOM 0 HH TYR A 23 9.707 5.065 2.183 1.00 0.00 H new ATOM 328 N TYR A 24 6.699 -3.021 1.859 1.00 0.00 N ATOM 329 CA TYR A 24 5.894 -4.213 1.624 1.00 0.00 C ATOM 330 C TYR A 24 5.257 -4.155 0.246 1.00 0.00 C ATOM 331 O TYR A 24 4.448 -3.278 -0.027 1.00 0.00 O ATOM 332 CB TYR A 24 4.796 -4.352 2.682 1.00 0.00 C ATOM 333 CG TYR A 24 5.276 -4.856 4.019 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.279 -6.215 4.299 1.00 0.00 C ATOM 335 CD2 TYR A 24 5.713 -3.980 5.002 1.00 0.00 C ATOM 336 CE1 TYR A 24 5.702 -6.688 5.523 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.142 -4.444 6.228 1.00 0.00 C ATOM 338 CZ TYR A 24 6.133 -5.800 6.484 1.00 0.00 C ATOM 339 OH TYR A 24 6.553 -6.267 7.708 1.00 0.00 O ATOM 0 H TYR A 24 6.237 -2.299 2.412 1.00 0.00 H new ATOM 0 HA TYR A 24 6.554 -5.078 1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.320 -3.381 2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.030 -5.030 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.945 -6.913 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.717 -2.918 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.696 -7.748 5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.483 -3.751 6.983 1.00 0.00 H new ATOM 0 HH TYR A 24 6.825 -5.512 8.270 1.00 0.00 H new ATOM 349 N TYR A 25 5.617 -5.080 -0.626 1.00 0.00 N ATOM 350 CA TYR A 25 5.014 -5.129 -1.946 1.00 0.00 C ATOM 351 C TYR A 25 3.600 -5.683 -1.859 1.00 0.00 C ATOM 352 O TYR A 25 3.362 -6.725 -1.243 1.00 0.00 O ATOM 353 CB TYR A 25 5.852 -5.968 -2.916 1.00 0.00 C ATOM 354 CG TYR A 25 5.210 -6.133 -4.281 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.741 -7.371 -4.711 1.00 0.00 C ATOM 356 CD2 TYR A 25 5.056 -5.044 -5.134 1.00 0.00 C ATOM 357 CE1 TYR A 25 4.145 -7.519 -5.950 1.00 0.00 C ATOM 358 CE2 TYR A 25 4.462 -5.186 -6.375 1.00 0.00 C ATOM 359 CZ TYR A 25 4.007 -6.425 -6.777 1.00 0.00 C ATOM 360 OH TYR A 25 3.409 -6.572 -8.010 1.00 0.00 O ATOM 0 H TYR A 25 6.316 -5.800 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 25 4.976 -4.110 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.830 -5.502 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.020 -6.953 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.844 -8.231 -4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.406 -4.071 -4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.789 -8.488 -6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.355 -4.331 -7.026 1.00 0.00 H new ATOM 0 HH TYR A 25 3.388 -5.706 -8.469 1.00 0.00 H new ATOM 370 N ASP A 26 2.675 -4.957 -2.462 1.00 0.00 N ATOM 371 CA ASP A 26 1.285 -5.357 -2.530 1.00 0.00 C ATOM 372 C ASP A 26 0.965 -5.908 -3.907 1.00 0.00 C ATOM 373 O ASP A 26 0.772 -5.149 -4.858 1.00 0.00 O ATOM 374 CB ASP A 26 0.374 -4.166 -2.226 1.00 0.00 C ATOM 375 CG ASP A 26 -1.060 -4.416 -2.636 1.00 0.00 C ATOM 376 OD1 ASP A 26 -1.535 -3.730 -3.562 1.00 0.00 O ATOM 377 OD2 ASP A 26 -1.706 -5.305 -2.055 1.00 0.00 O ATOM 0 H ASP A 26 2.871 -4.067 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 26 1.112 -6.134 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.411 -3.947 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.749 -3.284 -2.745 1.00 0.00 H new ATOM 382 N PRO A 27 0.948 -7.241 -4.033 1.00 0.00 N ATOM 383 CA PRO A 27 0.560 -7.922 -5.270 1.00 0.00 C ATOM 384 C PRO A 27 -0.943 -7.844 -5.532 1.00 0.00 C ATOM 385 O PRO A 27 -1.411 -8.179 -6.623 1.00 0.00 O ATOM 386 CB PRO A 27 0.981 -9.372 -5.022 1.00 0.00 C ATOM 387 CG PRO A 27 0.953 -9.528 -3.542 1.00 0.00 C ATOM 388 CD PRO A 27 1.345 -8.189 -2.980 1.00 0.00 C ATOM 0 HA PRO A 27 1.025 -7.470 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.299 -10.070 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.976 -9.569 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.039 -9.821 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.645 -10.306 -3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.832 -7.983 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.415 -8.137 -2.777 1.00 0.00 H new ATOM 396 N THR A 28 -1.697 -7.411 -4.529 1.00 0.00 N ATOM 397 CA THR A 28 -3.143 -7.329 -4.640 1.00 0.00 C ATOM 398 C THR A 28 -3.552 -6.199 -5.581 1.00 0.00 C ATOM 399 O THR A 28 -4.229 -6.427 -6.586 1.00 0.00 O ATOM 400 CB THR A 28 -3.776 -7.091 -3.265 1.00 0.00 C ATOM 401 OG1 THR A 28 -2.965 -7.703 -2.258 1.00 0.00 O ATOM 402 CG2 THR A 28 -5.180 -7.665 -3.205 1.00 0.00 C ATOM 0 H THR A 28 -1.327 -7.111 -3.627 1.00 0.00 H new ATOM 0 HA THR A 28 -3.498 -8.277 -5.044 1.00 0.00 H new ATOM 0 HB THR A 28 -3.838 -6.016 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.327 -7.046 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.606 -7.482 -2.218 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.801 -7.187 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.142 -8.738 -3.391 1.00 0.00 H new ATOM 410 N THR A 29 -3.128 -4.984 -5.257 1.00 0.00 N ATOM 411 CA THR A 29 -3.444 -3.823 -6.071 1.00 0.00 C ATOM 412 C THR A 29 -2.253 -3.447 -6.942 1.00 0.00 C ATOM 413 O THR A 29 -2.407 -3.100 -8.114 1.00 0.00 O ATOM 414 CB THR A 29 -3.842 -2.617 -5.195 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.693 -3.055 -4.127 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.557 -1.560 -6.024 1.00 0.00 C ATOM 0 H THR A 29 -2.563 -4.779 -4.433 1.00 0.00 H new ATOM 0 HA THR A 29 -4.291 -4.085 -6.706 1.00 0.00 H new ATOM 0 HB THR A 29 -2.936 -2.175 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.151 -3.478 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.828 -0.719 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.897 -1.214 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.458 -1.989 -6.461 1.00 0.00 H new ATOM 424 N GLY A 30 -1.063 -3.543 -6.363 1.00 0.00 N ATOM 425 CA GLY A 30 0.148 -3.214 -7.089 1.00 0.00 C ATOM 426 C GLY A 30 0.831 -2.001 -6.502 1.00 0.00 C ATOM 427 O GLY A 30 1.326 -1.142 -7.229 1.00 0.00 O ATOM 0 H GLY A 30 -0.915 -3.844 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.830 -4.064 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.093 -3.027 -8.135 1.00 0.00 H new ATOM 431 N LEU A 31 0.857 -1.933 -5.181 1.00 0.00 N ATOM 432 CA LEU A 31 1.400 -0.767 -4.483 1.00 0.00 C ATOM 433 C LEU A 31 2.506 -1.164 -3.516 1.00 0.00 C ATOM 434 O LEU A 31 2.783 -2.343 -3.323 1.00 0.00 O ATOM 435 CB LEU A 31 0.285 -0.041 -3.727 1.00 0.00 C ATOM 436 CG LEU A 31 -0.826 0.541 -4.607 1.00 0.00 C ATOM 437 CD1 LEU A 31 -1.841 1.285 -3.757 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.246 1.469 -5.668 1.00 0.00 C ATOM 0 H LEU A 31 0.510 -2.669 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 31 1.827 -0.099 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.162 -0.736 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.728 0.768 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.328 -0.285 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.623 1.692 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.284 0.599 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.345 2.099 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.053 1.870 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.284 2.289 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.446 0.912 -6.299 1.00 0.00 H new ATOM 450 N TYR A 32 3.152 -0.166 -2.935 1.00 0.00 N ATOM 451 CA TYR A 32 4.150 -0.400 -1.904 1.00 0.00 C ATOM 452 C TYR A 32 3.657 0.127 -0.566 1.00 0.00 C ATOM 453 O TYR A 32 3.295 1.285 -0.449 1.00 0.00 O ATOM 454 CB TYR A 32 5.474 0.274 -2.279 1.00 0.00 C ATOM 455 CG TYR A 32 6.370 -0.579 -3.147 1.00 0.00 C ATOM 456 CD1 TYR A 32 7.315 -1.417 -2.573 1.00 0.00 C ATOM 457 CD2 TYR A 32 6.282 -0.539 -4.531 1.00 0.00 C ATOM 458 CE1 TYR A 32 8.149 -2.192 -3.349 1.00 0.00 C ATOM 459 CE2 TYR A 32 7.113 -1.316 -5.319 1.00 0.00 C ATOM 460 CZ TYR A 32 8.046 -2.140 -4.720 1.00 0.00 C ATOM 461 OH TYR A 32 8.882 -2.913 -5.496 1.00 0.00 O ATOM 0 H TYR A 32 3.002 0.817 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 32 4.316 -1.474 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.261 1.207 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.010 0.534 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.399 -1.463 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.555 0.107 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.880 -2.837 -2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.033 -1.278 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 32 9.245 -3.646 -4.956 1.00 0.00 H new ATOM 471 N TYR A 33 3.646 -0.722 0.440 1.00 0.00 N ATOM 472 CA TYR A 33 3.207 -0.324 1.765 1.00 0.00 C ATOM 473 C TYR A 33 4.402 0.038 2.631 1.00 0.00 C ATOM 474 O TYR A 33 5.295 -0.786 2.845 1.00 0.00 O ATOM 475 CB TYR A 33 2.397 -1.453 2.416 1.00 0.00 C ATOM 476 CG TYR A 33 1.989 -1.183 3.846 1.00 0.00 C ATOM 477 CD1 TYR A 33 0.875 -0.408 4.134 1.00 0.00 C ATOM 478 CD2 TYR A 33 2.713 -1.714 4.905 1.00 0.00 C ATOM 479 CE1 TYR A 33 0.492 -0.171 5.440 1.00 0.00 C ATOM 480 CE2 TYR A 33 2.340 -1.481 6.212 1.00 0.00 C ATOM 481 CZ TYR A 33 1.228 -0.710 6.476 1.00 0.00 C ATOM 482 OH TYR A 33 0.843 -0.481 7.780 1.00 0.00 O ATOM 0 H TYR A 33 3.937 -1.697 0.367 1.00 0.00 H new ATOM 0 HA TYR A 33 2.568 0.554 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.500 -1.630 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.985 -2.370 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.299 0.016 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.583 -2.320 4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.379 0.433 5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.916 -1.900 7.024 1.00 0.00 H new ATOM 0 HH TYR A 33 1.466 -0.930 8.389 1.00 0.00 H new ATOM 492 N ASP A 34 4.429 1.274 3.103 1.00 0.00 N ATOM 493 CA ASP A 34 5.474 1.709 4.019 1.00 0.00 C ATOM 494 C ASP A 34 5.104 1.325 5.439 1.00 0.00 C ATOM 495 O ASP A 34 4.123 1.826 5.979 1.00 0.00 O ATOM 496 CB ASP A 34 5.684 3.224 3.950 1.00 0.00 C ATOM 497 CG ASP A 34 6.767 3.691 4.909 1.00 0.00 C ATOM 498 OD1 ASP A 34 6.647 4.805 5.450 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.732 2.938 5.143 1.00 0.00 O ATOM 0 H ASP A 34 3.743 1.992 2.869 1.00 0.00 H new ATOM 0 HA ASP A 34 6.401 1.217 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.954 3.507 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.748 3.731 4.185 1.00 0.00 H new ATOM 504 N PRO A 35 5.870 0.420 6.057 1.00 0.00 N ATOM 505 CA PRO A 35 5.624 -0.012 7.434 1.00 0.00 C ATOM 506 C PRO A 35 5.737 1.130 8.436 1.00 0.00 C ATOM 507 O PRO A 35 5.159 1.072 9.518 1.00 0.00 O ATOM 508 CB PRO A 35 6.720 -1.051 7.703 1.00 0.00 C ATOM 509 CG PRO A 35 7.748 -0.836 6.641 1.00 0.00 C ATOM 510 CD PRO A 35 7.026 -0.261 5.458 1.00 0.00 C ATOM 0 HA PRO A 35 4.612 -0.401 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.149 -0.919 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.319 -2.064 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.527 -0.157 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.237 -1.774 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.656 0.433 4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.716 -1.039 4.760 1.00 0.00 H new ATOM 518 N ASN A 36 6.471 2.174 8.073 1.00 0.00 N ATOM 519 CA ASN A 36 6.701 3.281 8.991 1.00 0.00 C ATOM 520 C ASN A 36 5.544 4.276 8.955 1.00 0.00 C ATOM 521 O ASN A 36 4.966 4.611 9.987 1.00 0.00 O ATOM 522 CB ASN A 36 8.011 4.001 8.661 1.00 0.00 C ATOM 523 CG ASN A 36 8.471 4.879 9.802 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.289 4.394 11.018 1.00 0.00 O flip ATOM 525 ND2 ASN A 36 9.018 5.965 9.592 1.00 0.00 N flip ATOM 0 H ASN A 36 6.913 2.277 7.159 1.00 0.00 H new ATOM 0 HA ASN A 36 6.770 2.863 9.995 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.783 3.266 8.434 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.877 4.609 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.137 6.300 8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.351 6.528 10.375 1.00 0.00 H new ATOM 532 N SER A 37 5.204 4.746 7.763 1.00 0.00 N ATOM 533 CA SER A 37 4.129 5.716 7.609 1.00 0.00 C ATOM 534 C SER A 37 2.766 5.030 7.581 1.00 0.00 C ATOM 535 O SER A 37 1.745 5.650 7.872 1.00 0.00 O ATOM 536 CB SER A 37 4.331 6.518 6.325 1.00 0.00 C ATOM 537 OG SER A 37 5.645 7.041 6.261 1.00 0.00 O ATOM 0 H SER A 37 5.656 4.472 6.890 1.00 0.00 H new ATOM 0 HA SER A 37 4.155 6.388 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.146 5.881 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.608 7.333 6.282 1.00 0.00 H new ATOM 0 HG SER A 37 6.214 6.434 5.742 1.00 0.00 H new ATOM 543 N GLN A 38 2.782 3.737 7.255 1.00 0.00 N ATOM 544 CA GLN A 38 1.572 2.927 7.102 1.00 0.00 C ATOM 545 C GLN A 38 0.739 3.413 5.924 1.00 0.00 C ATOM 546 O GLN A 38 -0.486 3.278 5.907 1.00 0.00 O ATOM 547 CB GLN A 38 0.745 2.896 8.389 1.00 0.00 C ATOM 548 CG GLN A 38 1.447 2.189 9.536 1.00 0.00 C ATOM 549 CD GLN A 38 0.541 2.000 10.735 1.00 0.00 C ATOM 550 OE1 GLN A 38 0.449 2.864 11.602 1.00 0.00 O ATOM 551 NE2 GLN A 38 -0.126 0.860 10.800 1.00 0.00 N ATOM 0 H GLN A 38 3.644 3.217 7.088 1.00 0.00 H new ATOM 0 HA GLN A 38 1.886 1.904 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.513 3.918 8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.204 2.399 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.804 1.217 9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.324 2.765 9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.023 0.166 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.743 0.675 11.591 1.00 0.00 H new ATOM 560 N TYR A 39 1.426 3.956 4.927 1.00 0.00 N ATOM 561 CA TYR A 39 0.776 4.448 3.724 1.00 0.00 C ATOM 562 C TYR A 39 1.227 3.646 2.517 1.00 0.00 C ATOM 563 O TYR A 39 2.277 2.999 2.542 1.00 0.00 O ATOM 564 CB TYR A 39 1.074 5.936 3.510 1.00 0.00 C ATOM 565 CG TYR A 39 0.446 6.825 4.558 1.00 0.00 C ATOM 566 CD1 TYR A 39 1.204 7.753 5.253 1.00 0.00 C ATOM 567 CD2 TYR A 39 -0.906 6.725 4.859 1.00 0.00 C ATOM 568 CE1 TYR A 39 0.633 8.561 6.218 1.00 0.00 C ATOM 569 CE2 TYR A 39 -1.487 7.527 5.819 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.711 8.446 6.499 1.00 0.00 C ATOM 571 OH TYR A 39 -1.282 9.251 7.458 1.00 0.00 O ATOM 0 H TYR A 39 2.440 4.066 4.931 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.300 4.329 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.153 6.088 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.713 6.234 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.258 7.847 5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.514 6.005 4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.238 9.280 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.541 7.437 6.038 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.237 9.044 7.533 1.00 0.00 H new ATOM 581 N TYR A 40 0.420 3.687 1.475 1.00 0.00 N ATOM 582 CA TYR A 40 0.718 2.995 0.239 1.00 0.00 C ATOM 583 C TYR A 40 1.374 3.941 -0.749 1.00 0.00 C ATOM 584 O TYR A 40 0.970 5.093 -0.889 1.00 0.00 O ATOM 585 CB TYR A 40 -0.555 2.400 -0.362 1.00 0.00 C ATOM 586 CG TYR A 40 -1.146 1.291 0.474 1.00 0.00 C ATOM 587 CD1 TYR A 40 -0.598 0.015 0.447 1.00 0.00 C ATOM 588 CD2 TYR A 40 -2.242 1.517 1.294 1.00 0.00 C ATOM 589 CE1 TYR A 40 -1.124 -1.002 1.216 1.00 0.00 C ATOM 590 CE2 TYR A 40 -2.777 0.504 2.066 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.214 -0.753 2.026 1.00 0.00 C ATOM 592 OH TYR A 40 -2.743 -1.762 2.796 1.00 0.00 O ATOM 0 H TYR A 40 -0.461 4.201 1.463 1.00 0.00 H new ATOM 0 HA TYR A 40 1.410 2.182 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.296 3.190 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.334 2.017 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.254 -0.184 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.684 2.502 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.685 -1.988 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.632 0.696 2.697 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.137 -1.381 3.608 1.00 0.00 H new ATOM 602 N TYR A 41 2.389 3.444 -1.418 1.00 0.00 N ATOM 603 CA TYR A 41 3.138 4.219 -2.375 1.00 0.00 C ATOM 604 C TYR A 41 2.871 3.712 -3.776 1.00 0.00 C ATOM 605 O TYR A 41 3.176 2.565 -4.111 1.00 0.00 O ATOM 606 CB TYR A 41 4.635 4.146 -2.063 1.00 0.00 C ATOM 607 CG TYR A 41 5.505 4.836 -3.087 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.338 6.186 -3.379 1.00 0.00 C ATOM 609 CD2 TYR A 41 6.492 4.135 -3.764 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.133 6.813 -4.318 1.00 0.00 C ATOM 611 CE2 TYR A 41 7.291 4.754 -4.703 1.00 0.00 C ATOM 612 CZ TYR A 41 7.108 6.094 -4.978 1.00 0.00 C ATOM 613 OH TYR A 41 7.903 6.716 -5.915 1.00 0.00 O ATOM 0 H TYR A 41 2.719 2.485 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 41 2.819 5.259 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.815 4.594 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.932 3.099 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.576 6.752 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.638 3.086 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.992 7.862 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.055 4.193 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 41 8.539 6.069 -6.285 1.00 0.00 H new ATOM 623 N ASN A 42 2.272 4.563 -4.578 1.00 0.00 N ATOM 624 CA ASN A 42 2.058 4.265 -5.976 1.00 0.00 C ATOM 625 C ASN A 42 3.365 4.495 -6.712 1.00 0.00 C ATOM 626 O ASN A 42 3.815 5.627 -6.833 1.00 0.00 O ATOM 627 CB ASN A 42 0.948 5.156 -6.540 1.00 0.00 C ATOM 628 CG ASN A 42 0.532 4.784 -7.950 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.335 4.303 -8.749 1.00 0.00 O ATOM 630 ND2 ASN A 42 -0.734 5.008 -8.264 1.00 0.00 N ATOM 0 H ASN A 42 1.922 5.474 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 42 1.744 3.229 -6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.078 5.098 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.285 6.193 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.076 4.780 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.368 5.408 -7.572 1.00 0.00 H new ATOM 637 N SER A 43 3.982 3.422 -7.175 1.00 0.00 N ATOM 638 CA SER A 43 5.289 3.507 -7.812 1.00 0.00 C ATOM 639 C SER A 43 5.184 4.146 -9.198 1.00 0.00 C ATOM 640 O SER A 43 6.133 4.770 -9.680 1.00 0.00 O ATOM 641 CB SER A 43 5.922 2.112 -7.914 1.00 0.00 C ATOM 642 OG SER A 43 7.231 2.169 -8.459 1.00 0.00 O ATOM 0 H SER A 43 3.599 2.478 -7.123 1.00 0.00 H new ATOM 0 HA SER A 43 5.927 4.140 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.959 1.656 -6.925 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.296 1.473 -8.537 1.00 0.00 H new ATOM 0 HG SER A 43 7.605 1.264 -8.508 1.00 0.00 H new ATOM 648 N LEU A 44 4.019 4.014 -9.819 1.00 0.00 N ATOM 649 CA LEU A 44 3.817 4.505 -11.174 1.00 0.00 C ATOM 650 C LEU A 44 3.547 6.008 -11.174 1.00 0.00 C ATOM 651 O LEU A 44 4.100 6.751 -11.988 1.00 0.00 O ATOM 652 CB LEU A 44 2.647 3.759 -11.824 1.00 0.00 C ATOM 653 CG LEU A 44 2.383 4.108 -13.287 1.00 0.00 C ATOM 654 CD1 LEU A 44 3.544 3.659 -14.156 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.083 3.480 -13.761 1.00 0.00 C ATOM 0 H LEU A 44 3.199 3.570 -9.405 1.00 0.00 H new ATOM 0 HA LEU A 44 4.725 4.324 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.835 2.688 -11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.743 3.964 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 44 2.288 5.191 -13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.340 3.915 -15.196 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.456 4.159 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.670 2.580 -14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.913 3.740 -14.806 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.145 2.396 -13.663 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.257 3.852 -13.155 1.00 0.00 H new ATOM 667 N THR A 45 2.697 6.449 -10.253 1.00 0.00 N ATOM 668 CA THR A 45 2.301 7.851 -10.180 1.00 0.00 C ATOM 669 C THR A 45 3.105 8.599 -9.113 1.00 0.00 C ATOM 670 O THR A 45 3.022 9.821 -8.986 1.00 0.00 O ATOM 671 CB THR A 45 0.790 7.978 -9.886 1.00 0.00 C ATOM 672 OG1 THR A 45 0.075 7.018 -10.672 1.00 0.00 O ATOM 673 CG2 THR A 45 0.274 9.374 -10.217 1.00 0.00 C ATOM 0 H THR A 45 2.268 5.854 -9.545 1.00 0.00 H new ATOM 0 HA THR A 45 2.511 8.303 -11.149 1.00 0.00 H new ATOM 0 HB THR A 45 0.634 7.797 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.885 7.094 -10.488 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.792 9.429 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.806 10.111 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.439 9.582 -11.274 1.00 0.00 H new ATOM 681 N GLN A 46 3.889 7.832 -8.352 1.00 0.00 N ATOM 682 CA GLN A 46 4.791 8.367 -7.329 1.00 0.00 C ATOM 683 C GLN A 46 4.028 9.153 -6.265 1.00 0.00 C ATOM 684 O GLN A 46 4.462 10.218 -5.833 1.00 0.00 O ATOM 685 CB GLN A 46 5.866 9.241 -7.976 1.00 0.00 C ATOM 686 CG GLN A 46 6.666 8.515 -9.046 1.00 0.00 C ATOM 687 CD GLN A 46 7.643 9.423 -9.766 1.00 0.00 C ATOM 688 OE1 GLN A 46 8.176 10.407 -9.058 1.00 0.00 O flip ATOM 689 NE2 GLN A 46 7.924 9.236 -10.951 1.00 0.00 N flip ATOM 0 H GLN A 46 3.916 6.815 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 46 5.273 7.524 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.394 10.119 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.546 9.600 -7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.213 7.691 -8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.980 8.078 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.492 8.466 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.589 9.851 -11.421 1.00 0.00 H new ATOM 698 N GLN A 47 2.903 8.607 -5.830 1.00 0.00 N ATOM 699 CA GLN A 47 2.049 9.286 -4.867 1.00 0.00 C ATOM 700 C GLN A 47 1.799 8.401 -3.655 1.00 0.00 C ATOM 701 O GLN A 47 2.006 7.188 -3.708 1.00 0.00 O ATOM 702 CB GLN A 47 0.715 9.664 -5.510 1.00 0.00 C ATOM 703 CG GLN A 47 -0.092 8.465 -5.988 1.00 0.00 C ATOM 704 CD GLN A 47 -1.421 8.844 -6.617 1.00 0.00 C ATOM 705 OE1 GLN A 47 -2.000 9.947 -6.170 1.00 0.00 O flip ATOM 706 NE2 GLN A 47 -1.925 8.143 -7.492 1.00 0.00 N flip ATOM 0 H GLN A 47 2.559 7.694 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 47 2.559 10.193 -4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.121 10.228 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.903 10.325 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.498 7.905 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.275 7.800 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.446 7.300 -7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.822 8.404 -7.901 1.00 0.00 H new ATOM 715 N TYR A 48 1.352 9.013 -2.572 1.00 0.00 N ATOM 716 CA TYR A 48 1.042 8.287 -1.357 1.00 0.00 C ATOM 717 C TYR A 48 -0.451 8.202 -1.146 1.00 0.00 C ATOM 718 O TYR A 48 -1.183 9.172 -1.358 1.00 0.00 O ATOM 719 CB TYR A 48 1.699 8.937 -0.147 1.00 0.00 C ATOM 720 CG TYR A 48 3.145 8.555 0.018 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.514 7.606 0.955 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.135 9.130 -0.767 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.831 7.236 1.117 1.00 0.00 C ATOM 724 CE2 TYR A 48 5.459 8.768 -0.616 1.00 0.00 C ATOM 725 CZ TYR A 48 5.803 7.819 0.328 1.00 0.00 C ATOM 726 OH TYR A 48 7.123 7.460 0.489 1.00 0.00 O ATOM 0 H TYR A 48 1.195 10.019 -2.512 1.00 0.00 H new ATOM 0 HA TYR A 48 1.439 7.278 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.624 10.021 -0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.150 8.655 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.755 7.147 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.866 9.870 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.101 6.496 1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.221 9.223 -1.232 1.00 0.00 H new ATOM 0 HH TYR A 48 7.678 7.962 -0.144 1.00 0.00 H new ATOM 736 N LEU A 49 -0.886 7.043 -0.707 1.00 0.00 N ATOM 737 CA LEU A 49 -2.295 6.750 -0.555 1.00 0.00 C ATOM 738 C LEU A 49 -2.529 6.014 0.748 1.00 0.00 C ATOM 739 O LEU A 49 -1.585 5.545 1.379 1.00 0.00 O ATOM 740 CB LEU A 49 -2.770 5.887 -1.727 1.00 0.00 C ATOM 741 CG LEU A 49 -2.607 6.529 -3.107 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.668 5.480 -4.207 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.683 7.577 -3.317 1.00 0.00 C ATOM 0 H LEU A 49 -0.271 6.273 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.856 7.684 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.220 4.946 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.822 5.644 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.628 7.007 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.550 5.963 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.868 4.754 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.631 4.970 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.562 8.031 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.665 7.108 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.596 8.346 -2.550 1.00 0.00 H new ATOM 755 N TYR A 50 -3.776 5.927 1.156 1.00 0.00 N ATOM 756 CA TYR A 50 -4.136 5.117 2.300 1.00 0.00 C ATOM 757 C TYR A 50 -5.517 4.533 2.092 1.00 0.00 C ATOM 758 O TYR A 50 -6.370 5.143 1.444 1.00 0.00 O ATOM 759 CB TYR A 50 -4.065 5.920 3.608 1.00 0.00 C ATOM 760 CG TYR A 50 -5.121 6.991 3.785 1.00 0.00 C ATOM 761 CD1 TYR A 50 -4.942 8.273 3.278 1.00 0.00 C ATOM 762 CD2 TYR A 50 -6.283 6.727 4.501 1.00 0.00 C ATOM 763 CE1 TYR A 50 -5.890 9.259 3.481 1.00 0.00 C ATOM 764 CE2 TYR A 50 -7.238 7.702 4.698 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.037 8.967 4.191 1.00 0.00 C ATOM 766 OH TYR A 50 -7.985 9.944 4.400 1.00 0.00 O ATOM 0 H TYR A 50 -4.559 6.408 0.712 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.415 4.304 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.138 5.224 4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.084 6.391 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.048 8.503 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.441 5.740 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.734 10.252 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.140 7.475 5.247 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.730 9.572 4.917 1.00 0.00 H new ATOM 776 N TRP A 51 -5.725 3.339 2.608 1.00 0.00 N ATOM 777 CA TRP A 51 -6.997 2.670 2.457 1.00 0.00 C ATOM 778 C TRP A 51 -7.998 3.205 3.464 1.00 0.00 C ATOM 779 O TRP A 51 -7.803 3.079 4.673 1.00 0.00 O ATOM 780 CB TRP A 51 -6.845 1.159 2.634 1.00 0.00 C ATOM 781 CG TRP A 51 -8.159 0.438 2.651 1.00 0.00 C ATOM 782 CD1 TRP A 51 -8.866 0.051 3.753 1.00 0.00 C ATOM 783 CD2 TRP A 51 -8.922 0.021 1.515 1.00 0.00 C ATOM 784 NE1 TRP A 51 -10.021 -0.581 3.371 1.00 0.00 N ATOM 785 CE2 TRP A 51 -10.077 -0.616 2.004 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.743 0.122 0.134 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -11.047 -1.144 1.164 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.705 -0.409 -0.703 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.845 -1.037 -0.183 1.00 0.00 C ATOM 0 H TRP A 51 -5.028 2.813 3.136 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.362 2.867 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.230 0.764 1.826 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.315 0.959 3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.560 0.218 4.775 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.724 -0.963 4.003 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.868 0.607 -0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -11.930 -1.622 1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.577 -0.339 -1.773 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.579 -1.445 -0.862 1.00 0.00 H new ATOM 800 N ASP A 52 -9.051 3.817 2.963 1.00 0.00 N ATOM 801 CA ASP A 52 -10.156 4.228 3.810 1.00 0.00 C ATOM 802 C ASP A 52 -11.283 3.213 3.675 1.00 0.00 C ATOM 803 O ASP A 52 -11.872 3.069 2.602 1.00 0.00 O ATOM 804 CB ASP A 52 -10.642 5.631 3.438 1.00 0.00 C ATOM 805 CG ASP A 52 -11.724 6.134 4.372 1.00 0.00 C ATOM 806 OD1 ASP A 52 -12.893 5.720 4.218 1.00 0.00 O ATOM 807 OD2 ASP A 52 -11.405 6.946 5.264 1.00 0.00 O ATOM 0 H ASP A 52 -9.167 4.041 1.975 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.820 4.266 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.799 6.322 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.023 5.622 2.417 1.00 0.00 H new ATOM 812 N GLY A 53 -11.552 2.492 4.757 1.00 0.00 N ATOM 813 CA GLY A 53 -12.500 1.392 4.715 1.00 0.00 C ATOM 814 C GLY A 53 -13.920 1.828 4.418 1.00 0.00 C ATOM 815 O GLY A 53 -14.727 1.037 3.931 1.00 0.00 O ATOM 0 H GLY A 53 -11.127 2.651 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.182 0.677 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.481 0.870 5.672 1.00 0.00 H new ATOM 819 N GLU A 54 -14.230 3.079 4.706 1.00 0.00 N ATOM 820 CA GLU A 54 -15.561 3.601 4.464 1.00 0.00 C ATOM 821 C GLU A 54 -15.757 3.864 2.977 1.00 0.00 C ATOM 822 O GLU A 54 -16.745 3.438 2.383 1.00 0.00 O ATOM 823 CB GLU A 54 -15.774 4.884 5.270 1.00 0.00 C ATOM 824 CG GLU A 54 -17.149 5.510 5.093 1.00 0.00 C ATOM 825 CD GLU A 54 -18.269 4.571 5.484 1.00 0.00 C ATOM 826 OE1 GLU A 54 -18.262 4.080 6.631 1.00 0.00 O ATOM 827 OE2 GLU A 54 -19.170 4.333 4.655 1.00 0.00 O ATOM 0 H GLU A 54 -13.577 3.752 5.108 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.297 2.864 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.620 4.666 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.016 5.612 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.212 6.416 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.277 5.809 4.053 1.00 0.00 H new ATOM 834 N LYS A 55 -14.789 4.540 2.372 1.00 0.00 N ATOM 835 CA LYS A 55 -14.896 4.911 0.969 1.00 0.00 C ATOM 836 C LYS A 55 -14.561 3.728 0.061 1.00 0.00 C ATOM 837 O LYS A 55 -14.912 3.720 -1.118 1.00 0.00 O ATOM 838 CB LYS A 55 -13.973 6.094 0.644 1.00 0.00 C ATOM 839 CG LYS A 55 -13.977 7.208 1.687 1.00 0.00 C ATOM 840 CD LYS A 55 -15.379 7.717 1.985 1.00 0.00 C ATOM 841 CE LYS A 55 -16.031 8.334 0.760 1.00 0.00 C ATOM 842 NZ LYS A 55 -17.368 8.896 1.078 1.00 0.00 N ATOM 0 H LYS A 55 -13.927 4.840 2.828 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.928 5.209 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.954 5.723 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.267 6.514 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.523 6.842 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.360 8.035 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.994 6.894 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.334 8.457 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.390 9.121 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.129 7.579 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.784 9.309 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.987 8.140 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.271 9.634 1.805 1.00 0.00 H new ATOM 856 N GLU A 56 -13.884 2.727 0.637 1.00 0.00 N ATOM 857 CA GLU A 56 -13.475 1.517 -0.086 1.00 0.00 C ATOM 858 C GLU A 56 -12.523 1.846 -1.228 1.00 0.00 C ATOM 859 O GLU A 56 -12.582 1.239 -2.297 1.00 0.00 O ATOM 860 CB GLU A 56 -14.690 0.754 -0.624 1.00 0.00 C ATOM 861 CG GLU A 56 -15.543 0.122 0.460 1.00 0.00 C ATOM 862 CD GLU A 56 -16.719 -0.646 -0.103 1.00 0.00 C ATOM 863 OE1 GLU A 56 -16.506 -1.728 -0.687 1.00 0.00 O ATOM 864 OE2 GLU A 56 -17.867 -0.174 0.039 1.00 0.00 O ATOM 0 H GLU A 56 -13.604 2.733 1.618 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.951 0.881 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.307 1.437 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.346 -0.025 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.927 -0.550 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.908 0.900 1.130 1.00 0.00 H new ATOM 871 N THR A 57 -11.631 2.793 -0.990 1.00 0.00 N ATOM 872 CA THR A 57 -10.704 3.238 -2.014 1.00 0.00 C ATOM 873 C THR A 57 -9.396 3.708 -1.384 1.00 0.00 C ATOM 874 O THR A 57 -9.334 3.968 -0.176 1.00 0.00 O ATOM 875 CB THR A 57 -11.325 4.376 -2.858 1.00 0.00 C ATOM 876 OG1 THR A 57 -10.400 4.835 -3.852 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.747 5.538 -1.974 1.00 0.00 C ATOM 0 H THR A 57 -11.530 3.269 -0.094 1.00 0.00 H new ATOM 0 HA THR A 57 -10.494 2.394 -2.670 1.00 0.00 H new ATOM 0 HB THR A 57 -12.208 3.975 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.812 5.553 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.181 6.325 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.487 5.195 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.877 5.928 -1.446 1.00 0.00 H new ATOM 885 N TYR A 58 -8.356 3.793 -2.200 1.00 0.00 N ATOM 886 CA TYR A 58 -7.071 4.298 -1.752 1.00 0.00 C ATOM 887 C TYR A 58 -7.005 5.789 -2.025 1.00 0.00 C ATOM 888 O TYR A 58 -6.912 6.219 -3.175 1.00 0.00 O ATOM 889 CB TYR A 58 -5.917 3.578 -2.455 1.00 0.00 C ATOM 890 CG TYR A 58 -5.931 2.078 -2.276 1.00 0.00 C ATOM 891 CD1 TYR A 58 -5.325 1.484 -1.176 1.00 0.00 C ATOM 892 CD2 TYR A 58 -6.552 1.256 -3.205 1.00 0.00 C ATOM 893 CE1 TYR A 58 -5.338 0.113 -1.009 1.00 0.00 C ATOM 894 CE2 TYR A 58 -6.572 -0.115 -3.047 1.00 0.00 C ATOM 895 CZ TYR A 58 -5.965 -0.682 -1.947 1.00 0.00 C ATOM 896 OH TYR A 58 -5.984 -2.049 -1.785 1.00 0.00 O ATOM 0 H TYR A 58 -8.380 3.516 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.972 4.112 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.954 3.807 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.973 3.970 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.836 2.104 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.029 1.697 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.860 -0.334 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.060 -0.740 -3.781 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.555 -2.476 -2.556 1.00 0.00 H new ATOM 906 N VAL A 59 -7.063 6.565 -0.963 1.00 0.00 N ATOM 907 CA VAL A 59 -7.142 8.013 -1.065 1.00 0.00 C ATOM 908 C VAL A 59 -5.790 8.654 -0.757 1.00 0.00 C ATOM 909 O VAL A 59 -5.067 8.196 0.125 1.00 0.00 O ATOM 910 CB VAL A 59 -8.226 8.572 -0.115 1.00 0.00 C ATOM 911 CG1 VAL A 59 -9.611 8.337 -0.691 1.00 0.00 C ATOM 912 CG2 VAL A 59 -8.128 7.930 1.255 1.00 0.00 C ATOM 0 H VAL A 59 -7.057 6.214 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.417 8.261 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.059 9.644 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.361 8.737 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.694 8.838 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.774 7.267 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.901 8.340 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.265 6.853 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.147 8.135 1.684 1.00 0.00 H new ATOM 922 N PRO A 60 -5.423 9.702 -1.521 1.00 0.00 N ATOM 923 CA PRO A 60 -4.128 10.382 -1.390 1.00 0.00 C ATOM 924 C PRO A 60 -3.874 10.899 0.018 1.00 0.00 C ATOM 925 O PRO A 60 -4.649 11.686 0.560 1.00 0.00 O ATOM 926 CB PRO A 60 -4.226 11.546 -2.382 1.00 0.00 C ATOM 927 CG PRO A 60 -5.254 11.111 -3.368 1.00 0.00 C ATOM 928 CD PRO A 60 -6.243 10.296 -2.588 1.00 0.00 C ATOM 0 HA PRO A 60 -3.298 9.704 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.521 12.469 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.268 11.737 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.736 11.969 -3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.805 10.522 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.044 10.915 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.713 9.532 -3.207 1.00 0.00 H new ATOM 936 N ALA A 61 -2.770 10.453 0.592 1.00 0.00 N ATOM 937 CA ALA A 61 -2.410 10.821 1.953 1.00 0.00 C ATOM 938 C ALA A 61 -1.374 11.937 1.976 1.00 0.00 C ATOM 939 O ALA A 61 -0.981 12.406 3.044 1.00 0.00 O ATOM 940 CB ALA A 61 -1.881 9.609 2.700 1.00 0.00 C ATOM 0 H ALA A 61 -2.103 9.832 0.134 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.310 11.188 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.615 9.896 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.649 8.836 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.999 9.223 2.189 1.00 0.00 H new ATOM 946 N ALA A 62 -0.925 12.353 0.800 1.00 0.00 N ATOM 947 CA ALA A 62 0.089 13.394 0.706 1.00 0.00 C ATOM 948 C ALA A 62 -0.114 14.257 -0.536 1.00 0.00 C ATOM 949 O ALA A 62 0.845 14.597 -1.230 1.00 0.00 O ATOM 950 CB ALA A 62 1.477 12.772 0.706 1.00 0.00 C ATOM 0 H ALA A 62 -1.245 11.988 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.008 14.043 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.228 13.559 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.624 12.211 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.574 12.100 -0.146 1.00 0.00 H new ATOM 956 N GLU A 63 -1.366 14.617 -0.811 1.00 0.00 N ATOM 957 CA GLU A 63 -1.674 15.486 -1.944 1.00 0.00 C ATOM 958 C GLU A 63 -1.299 16.927 -1.618 1.00 0.00 C ATOM 959 O GLU A 63 -1.159 17.764 -2.509 1.00 0.00 O ATOM 960 CB GLU A 63 -3.158 15.393 -2.322 1.00 0.00 C ATOM 961 CG GLU A 63 -4.117 15.746 -1.193 1.00 0.00 C ATOM 962 CD GLU A 63 -5.565 15.727 -1.639 1.00 0.00 C ATOM 963 OE1 GLU A 63 -6.112 16.805 -1.957 1.00 0.00 O ATOM 964 OE2 GLU A 63 -6.166 14.634 -1.682 1.00 0.00 O ATOM 0 H GLU A 63 -2.178 14.323 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.087 15.152 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.348 16.057 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.372 14.379 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.983 15.041 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.871 16.735 -0.807 1.00 0.00 H new ATOM 971 N SER A 64 -1.138 17.200 -0.332 1.00 0.00 N ATOM 972 CA SER A 64 -0.716 18.506 0.138 1.00 0.00 C ATOM 973 C SER A 64 0.355 18.342 1.212 1.00 0.00 C ATOM 974 O SER A 64 -0.004 18.033 2.366 1.00 0.00 O ATOM 975 CB SER A 64 -1.915 19.288 0.685 1.00 0.00 C ATOM 976 OG SER A 64 -2.944 19.401 -0.289 1.00 0.00 O ATOM 977 OXT SER A 64 1.554 18.495 0.890 1.00 0.00 O ATOM 0 H SER A 64 -1.297 16.521 0.413 1.00 0.00 H new ATOM 0 HA SER A 64 -0.296 19.069 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.304 18.788 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.593 20.282 0.995 1.00 0.00 H new ATOM 0 HG SER A 64 -3.697 19.903 0.087 1.00 0.00 H new TER 983 SER A 64