USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=31 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 42 ASN : amide:sc= 0.656 K(o=0.66,f=-11!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 15 TYR OH : rot -4:sc= -0.223 USER MOD Set 2.2: A 40 TYR OH : rot 165:sc= 0.141 USER MOD Set 3.1: A 29 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -164:sc= 1.29 (180deg=1.16) USER MOD Single : A 3 MET CE :methyl -158:sc= -0.204 (180deg=-0.801) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= 1.16 (180deg=0.814) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00608 USER MOD Single : A 13 SER OG : rot 81:sc= 0.438 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00258 USER MOD Single : A 16 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) 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 -168:sc= -0.444 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 92:sc= 1.24 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 100:sc= 1.2 USER MOD Single : A 38 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.023) 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= 0.0341 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 47 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -0.0534 (180deg=-0.338) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.918 -7.280 -8.010 1.00 0.00 N ATOM 2 CA GLY A 1 -17.227 -7.911 -8.286 1.00 0.00 C ATOM 3 C GLY A 1 -18.199 -7.705 -7.149 1.00 0.00 C ATOM 4 O GLY A 1 -17.793 -7.579 -5.994 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.377 -7.202 -8.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.067 -6.331 -7.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.388 -7.862 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.646 -7.494 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.087 -8.979 -8.456 1.00 0.00 H new ATOM 10 N ALA A 2 -19.480 -7.663 -7.473 1.00 0.00 N ATOM 11 CA ALA A 2 -20.514 -7.473 -6.469 1.00 0.00 C ATOM 12 C ALA A 2 -21.007 -8.818 -5.956 1.00 0.00 C ATOM 13 O ALA A 2 -21.273 -8.980 -4.767 1.00 0.00 O ATOM 14 CB ALA A 2 -21.669 -6.669 -7.041 1.00 0.00 C ATOM 0 H ALA A 2 -19.830 -7.758 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.087 -6.918 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.434 -6.536 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.308 -5.693 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.095 -7.200 -7.892 1.00 0.00 H new ATOM 20 N MET A 3 -21.112 -9.784 -6.863 1.00 0.00 N ATOM 21 CA MET A 3 -21.558 -11.123 -6.500 1.00 0.00 C ATOM 22 C MET A 3 -20.517 -11.807 -5.619 1.00 0.00 C ATOM 23 O MET A 3 -20.858 -12.524 -4.674 1.00 0.00 O ATOM 24 CB MET A 3 -21.819 -11.961 -7.754 1.00 0.00 C ATOM 25 CG MET A 3 -22.338 -13.360 -7.457 1.00 0.00 C ATOM 26 SD MET A 3 -22.622 -14.334 -8.950 1.00 0.00 S ATOM 27 CE MET A 3 -23.828 -13.311 -9.792 1.00 0.00 C ATOM 0 H MET A 3 -20.895 -9.664 -7.852 1.00 0.00 H new ATOM 0 HA MET A 3 -22.490 -11.035 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.541 -11.441 -8.384 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.895 -12.040 -8.327 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.622 -13.880 -6.820 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.269 -13.285 -6.895 1.00 0.00 H new ATOM 0 HE1 MET A 3 -24.388 -13.919 -10.502 1.00 0.00 H new ATOM 0 HE2 MET A 3 -24.514 -12.882 -9.062 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.317 -12.509 -10.325 1.00 0.00 H new ATOM 37 N GLY A 4 -19.251 -11.582 -5.939 1.00 0.00 N ATOM 38 CA GLY A 4 -18.176 -12.130 -5.144 1.00 0.00 C ATOM 39 C GLY A 4 -17.545 -11.086 -4.248 1.00 0.00 C ATOM 40 O GLY A 4 -18.125 -10.697 -3.233 1.00 0.00 O ATOM 0 H GLY A 4 -18.950 -11.026 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.557 -12.949 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.416 -12.550 -5.802 1.00 0.00 H new ATOM 44 N THR A 5 -16.360 -10.624 -4.618 1.00 0.00 N ATOM 45 CA THR A 5 -15.651 -9.643 -3.818 1.00 0.00 C ATOM 46 C THR A 5 -15.100 -8.519 -4.695 1.00 0.00 C ATOM 47 O THR A 5 -14.874 -8.701 -5.892 1.00 0.00 O ATOM 48 CB THR A 5 -14.506 -10.295 -3.013 1.00 0.00 C ATOM 49 OG1 THR A 5 -13.919 -9.341 -2.113 1.00 0.00 O ATOM 50 CG2 THR A 5 -13.437 -10.850 -3.937 1.00 0.00 C ATOM 0 H THR A 5 -15.872 -10.913 -5.466 1.00 0.00 H new ATOM 0 HA THR A 5 -16.367 -9.219 -3.113 1.00 0.00 H new ATOM 0 HB THR A 5 -14.930 -11.118 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.196 -9.769 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.643 -11.303 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.877 -11.603 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.023 -10.042 -4.541 1.00 0.00 H new ATOM 58 N LYS A 6 -14.911 -7.353 -4.098 1.00 0.00 N ATOM 59 CA LYS A 6 -14.301 -6.224 -4.782 1.00 0.00 C ATOM 60 C LYS A 6 -13.119 -5.722 -3.964 1.00 0.00 C ATOM 61 O LYS A 6 -12.584 -6.466 -3.138 1.00 0.00 O ATOM 62 CB LYS A 6 -15.319 -5.096 -4.985 1.00 0.00 C ATOM 63 CG LYS A 6 -15.849 -4.507 -3.687 1.00 0.00 C ATOM 64 CD LYS A 6 -16.717 -3.287 -3.943 1.00 0.00 C ATOM 65 CE LYS A 6 -17.145 -2.622 -2.643 1.00 0.00 C ATOM 66 NZ LYS A 6 -15.976 -2.185 -1.831 1.00 0.00 N ATOM 0 H LYS A 6 -15.174 -7.163 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.956 -6.548 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.856 -4.302 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.157 -5.476 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.428 -5.261 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.014 -4.232 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.168 -2.571 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.600 -3.581 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.774 -1.760 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.751 -3.317 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.263 -1.413 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.627 -2.985 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.220 -1.851 -2.462 1.00 0.00 H new ATOM 80 N TYR A 7 -12.704 -4.481 -4.198 1.00 0.00 N ATOM 81 CA TYR A 7 -11.699 -3.849 -3.353 1.00 0.00 C ATOM 82 C TYR A 7 -12.162 -3.869 -1.899 1.00 0.00 C ATOM 83 O TYR A 7 -13.178 -3.260 -1.551 1.00 0.00 O ATOM 84 CB TYR A 7 -11.436 -2.409 -3.799 1.00 0.00 C ATOM 85 CG TYR A 7 -10.668 -2.292 -5.098 1.00 0.00 C ATOM 86 CD1 TYR A 7 -11.327 -2.251 -6.320 1.00 0.00 C ATOM 87 CD2 TYR A 7 -9.282 -2.215 -5.099 1.00 0.00 C ATOM 88 CE1 TYR A 7 -10.625 -2.138 -7.505 1.00 0.00 C ATOM 89 CE2 TYR A 7 -8.573 -2.101 -6.279 1.00 0.00 C ATOM 90 CZ TYR A 7 -9.249 -2.065 -7.479 1.00 0.00 C ATOM 91 OH TYR A 7 -8.546 -1.949 -8.656 1.00 0.00 O ATOM 0 H TYR A 7 -13.046 -3.897 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.768 -4.409 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.391 -1.894 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.882 -1.893 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -12.405 -2.308 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.748 -2.245 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.152 -2.107 -8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.495 -2.040 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.586 -1.909 -8.461 1.00 0.00 H new ATOM 101 N ALA A 8 -11.431 -4.592 -1.066 1.00 0.00 N ATOM 102 CA ALA A 8 -11.794 -4.751 0.333 1.00 0.00 C ATOM 103 C ALA A 8 -10.622 -4.405 1.235 1.00 0.00 C ATOM 104 O ALA A 8 -9.543 -4.063 0.750 1.00 0.00 O ATOM 105 CB ALA A 8 -12.265 -6.172 0.598 1.00 0.00 C ATOM 0 H ALA A 8 -10.578 -5.081 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.611 -4.065 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.533 -6.276 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.135 -6.388 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.465 -6.872 0.357 1.00 0.00 H new ATOM 111 N VAL A 9 -10.838 -4.490 2.543 1.00 0.00 N ATOM 112 CA VAL A 9 -9.796 -4.182 3.515 1.00 0.00 C ATOM 113 C VAL A 9 -8.577 -5.093 3.334 1.00 0.00 C ATOM 114 O VAL A 9 -8.675 -6.318 3.410 1.00 0.00 O ATOM 115 CB VAL A 9 -10.323 -4.281 4.964 1.00 0.00 C ATOM 116 CG1 VAL A 9 -11.290 -3.147 5.262 1.00 0.00 C ATOM 117 CG2 VAL A 9 -11.000 -5.620 5.210 1.00 0.00 C ATOM 0 H VAL A 9 -11.728 -4.770 2.955 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.488 -3.152 3.334 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.467 -4.200 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.649 -3.235 6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.780 -2.192 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.135 -3.200 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.361 -5.662 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.840 -5.734 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.285 -6.425 5.044 1.00 0.00 H new ATOM 127 N PRO A 10 -7.415 -4.489 3.054 1.00 0.00 N ATOM 128 CA PRO A 10 -6.168 -5.217 2.841 1.00 0.00 C ATOM 129 C PRO A 10 -5.427 -5.537 4.135 1.00 0.00 C ATOM 130 O PRO A 10 -5.367 -4.717 5.058 1.00 0.00 O ATOM 131 CB PRO A 10 -5.359 -4.250 1.984 1.00 0.00 C ATOM 132 CG PRO A 10 -5.823 -2.890 2.390 1.00 0.00 C ATOM 133 CD PRO A 10 -7.237 -3.036 2.893 1.00 0.00 C ATOM 0 HA PRO A 10 -6.339 -6.192 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.289 -4.370 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.532 -4.425 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.178 -2.479 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.784 -2.202 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.380 -2.510 3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.956 -2.623 2.186 1.00 0.00 H new ATOM 141 N ASP A 11 -4.877 -6.742 4.204 1.00 0.00 N ATOM 142 CA ASP A 11 -4.023 -7.129 5.316 1.00 0.00 C ATOM 143 C ASP A 11 -2.571 -7.045 4.884 1.00 0.00 C ATOM 144 O ASP A 11 -2.164 -7.649 3.894 1.00 0.00 O ATOM 145 CB ASP A 11 -4.349 -8.542 5.816 1.00 0.00 C ATOM 146 CG ASP A 11 -3.446 -8.992 6.958 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.810 -8.131 7.617 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.368 -10.208 7.212 1.00 0.00 O ATOM 0 H ASP A 11 -5.008 -7.469 3.501 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.203 -6.443 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.387 -8.574 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.256 -9.245 4.988 1.00 0.00 H new ATOM 153 N THR A 12 -1.799 -6.284 5.629 1.00 0.00 N ATOM 154 CA THR A 12 -0.411 -6.051 5.300 1.00 0.00 C ATOM 155 C THR A 12 0.453 -7.261 5.629 1.00 0.00 C ATOM 156 O THR A 12 1.603 -7.349 5.204 1.00 0.00 O ATOM 157 CB THR A 12 0.105 -4.812 6.044 1.00 0.00 C ATOM 158 OG1 THR A 12 -0.174 -4.931 7.451 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.566 -3.563 5.492 1.00 0.00 C ATOM 0 H THR A 12 -2.115 -5.812 6.476 1.00 0.00 H new ATOM 0 HA THR A 12 -0.345 -5.879 4.226 1.00 0.00 H new ATOM 0 HB THR A 12 1.183 -4.735 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.160 -4.137 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.196 -2.686 6.024 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.338 -3.467 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.645 -3.640 5.626 1.00 0.00 H new ATOM 167 N SER A 13 -0.118 -8.204 6.368 1.00 0.00 N ATOM 168 CA SER A 13 0.595 -9.416 6.738 1.00 0.00 C ATOM 169 C SER A 13 0.761 -10.336 5.531 1.00 0.00 C ATOM 170 O SER A 13 1.679 -11.155 5.484 1.00 0.00 O ATOM 171 CB SER A 13 -0.154 -10.140 7.857 1.00 0.00 C ATOM 172 OG SER A 13 -0.421 -9.261 8.937 1.00 0.00 O ATOM 0 H SER A 13 -1.073 -8.151 6.722 1.00 0.00 H new ATOM 0 HA SER A 13 1.587 -9.140 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.090 -10.544 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.437 -10.985 8.208 1.00 0.00 H new ATOM 0 HG SER A 13 -1.212 -8.720 8.731 1.00 0.00 H new ATOM 178 N THR A 14 -0.117 -10.183 4.545 1.00 0.00 N ATOM 179 CA THR A 14 -0.093 -11.029 3.363 1.00 0.00 C ATOM 180 C THR A 14 0.660 -10.368 2.206 1.00 0.00 C ATOM 181 O THR A 14 0.511 -10.760 1.050 1.00 0.00 O ATOM 182 CB THR A 14 -1.525 -11.397 2.919 1.00 0.00 C ATOM 183 OG1 THR A 14 -2.354 -10.229 2.895 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.137 -12.425 3.857 1.00 0.00 C ATOM 0 H THR A 14 -0.855 -9.479 4.544 1.00 0.00 H new ATOM 0 HA THR A 14 0.439 -11.941 3.634 1.00 0.00 H new ATOM 0 HB THR A 14 -1.464 -11.823 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.259 -10.476 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.146 -12.668 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.527 -13.328 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.178 -12.017 4.867 1.00 0.00 H new ATOM 192 N TYR A 15 1.470 -9.362 2.522 1.00 0.00 N ATOM 193 CA TYR A 15 2.289 -8.698 1.514 1.00 0.00 C ATOM 194 C TYR A 15 3.674 -9.328 1.445 1.00 0.00 C ATOM 195 O TYR A 15 4.036 -10.156 2.282 1.00 0.00 O ATOM 196 CB TYR A 15 2.429 -7.206 1.817 1.00 0.00 C ATOM 197 CG TYR A 15 1.165 -6.405 1.613 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.950 -5.227 2.319 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.190 -6.813 0.711 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.194 -4.482 2.132 1.00 0.00 C ATOM 201 CE2 TYR A 15 -0.960 -6.072 0.522 1.00 0.00 C ATOM 202 CZ TYR A 15 -1.145 -4.907 1.235 1.00 0.00 C ATOM 203 OH TYR A 15 -2.279 -4.157 1.044 1.00 0.00 O ATOM 0 H TYR A 15 1.577 -8.990 3.466 1.00 0.00 H new ATOM 0 HA TYR A 15 1.789 -8.820 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.757 -7.087 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.213 -6.791 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.693 -4.890 3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.334 -7.724 0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.343 -3.568 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.710 -6.404 -0.181 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.279 -3.400 1.667 1.00 0.00 H new ATOM 213 N GLN A 16 4.444 -8.921 0.448 1.00 0.00 N ATOM 214 CA GLN A 16 5.799 -9.426 0.270 1.00 0.00 C ATOM 215 C GLN A 16 6.813 -8.336 0.587 1.00 0.00 C ATOM 216 O GLN A 16 7.021 -7.424 -0.212 1.00 0.00 O ATOM 217 CB GLN A 16 6.002 -9.912 -1.166 1.00 0.00 C ATOM 218 CG GLN A 16 5.022 -10.988 -1.591 1.00 0.00 C ATOM 219 CD GLN A 16 5.156 -11.349 -3.057 1.00 0.00 C ATOM 220 OE1 GLN A 16 5.922 -12.239 -3.422 1.00 0.00 O ATOM 221 NE2 GLN A 16 4.409 -10.668 -3.910 1.00 0.00 N ATOM 0 H GLN A 16 4.153 -8.240 -0.253 1.00 0.00 H new ATOM 0 HA GLN A 16 5.946 -10.263 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.912 -9.063 -1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.017 -10.296 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.181 -11.880 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.005 -10.647 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.785 -9.936 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.457 -10.875 -4.908 1.00 0.00 H new ATOM 230 N TYR A 17 7.438 -8.429 1.749 1.00 0.00 N ATOM 231 CA TYR A 17 8.421 -7.438 2.156 1.00 0.00 C ATOM 232 C TYR A 17 9.651 -7.525 1.267 1.00 0.00 C ATOM 233 O TYR A 17 10.269 -8.584 1.143 1.00 0.00 O ATOM 234 CB TYR A 17 8.828 -7.628 3.621 1.00 0.00 C ATOM 235 CG TYR A 17 9.882 -6.640 4.085 1.00 0.00 C ATOM 236 CD1 TYR A 17 9.527 -5.364 4.507 1.00 0.00 C ATOM 237 CD2 TYR A 17 11.228 -6.983 4.093 1.00 0.00 C ATOM 238 CE1 TYR A 17 10.485 -4.459 4.924 1.00 0.00 C ATOM 239 CE2 TYR A 17 12.190 -6.084 4.509 1.00 0.00 C ATOM 240 CZ TYR A 17 11.816 -4.825 4.923 1.00 0.00 C ATOM 241 OH TYR A 17 12.776 -3.930 5.343 1.00 0.00 O ATOM 0 H TYR A 17 7.283 -9.177 2.425 1.00 0.00 H new ATOM 0 HA TYR A 17 7.966 -6.453 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.945 -7.529 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.205 -8.642 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.486 -5.075 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.527 -7.969 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.194 -3.471 5.249 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.232 -6.367 4.510 1.00 0.00 H new ATOM 0 HH TYR A 17 13.661 -4.346 5.281 1.00 0.00 H new ATOM 251 N ASP A 18 9.997 -6.416 0.644 1.00 0.00 N ATOM 252 CA ASP A 18 11.158 -6.376 -0.223 1.00 0.00 C ATOM 253 C ASP A 18 12.308 -5.658 0.468 1.00 0.00 C ATOM 254 O ASP A 18 12.115 -4.623 1.106 1.00 0.00 O ATOM 255 CB ASP A 18 10.826 -5.683 -1.537 1.00 0.00 C ATOM 256 CG ASP A 18 11.937 -5.844 -2.549 1.00 0.00 C ATOM 257 OD1 ASP A 18 12.876 -5.025 -2.532 1.00 0.00 O ATOM 258 OD2 ASP A 18 11.886 -6.809 -3.339 1.00 0.00 O ATOM 0 H ASP A 18 9.493 -5.533 0.721 1.00 0.00 H new ATOM 0 HA ASP A 18 11.458 -7.401 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.902 -6.095 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.650 -4.623 -1.355 1.00 0.00 H new ATOM 263 N GLU A 19 13.498 -6.215 0.327 1.00 0.00 N ATOM 264 CA GLU A 19 14.681 -5.726 1.026 1.00 0.00 C ATOM 265 C GLU A 19 15.323 -4.567 0.291 1.00 0.00 C ATOM 266 O GLU A 19 15.953 -3.698 0.895 1.00 0.00 O ATOM 267 CB GLU A 19 15.677 -6.864 1.143 1.00 0.00 C ATOM 268 CG GLU A 19 16.351 -7.234 -0.171 1.00 0.00 C ATOM 269 CD GLU A 19 17.212 -8.467 -0.058 1.00 0.00 C ATOM 270 OE1 GLU A 19 18.442 -8.326 0.102 1.00 0.00 O ATOM 271 OE2 GLU A 19 16.659 -9.585 -0.132 1.00 0.00 O ATOM 0 H GLU A 19 13.675 -7.019 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 19 14.382 -5.370 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.443 -6.590 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.165 -7.742 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.588 -7.397 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.964 -6.398 -0.508 1.00 0.00 H new ATOM 278 N SER A 20 15.167 -4.572 -1.013 1.00 0.00 N ATOM 279 CA SER A 20 15.787 -3.593 -1.862 1.00 0.00 C ATOM 280 C SER A 20 14.923 -2.346 -1.937 1.00 0.00 C ATOM 281 O SER A 20 15.426 -1.233 -2.093 1.00 0.00 O ATOM 282 CB SER A 20 15.999 -4.203 -3.241 1.00 0.00 C ATOM 283 OG SER A 20 17.043 -5.162 -3.223 1.00 0.00 O ATOM 0 H SER A 20 14.603 -5.260 -1.512 1.00 0.00 H new ATOM 0 HA SER A 20 16.754 -3.300 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.076 -4.673 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.237 -3.416 -3.957 1.00 0.00 H new ATOM 0 HG SER A 20 17.157 -5.539 -4.120 1.00 0.00 H new ATOM 289 N SER A 21 13.623 -2.541 -1.808 1.00 0.00 N ATOM 290 CA SER A 21 12.688 -1.432 -1.835 1.00 0.00 C ATOM 291 C SER A 21 12.348 -0.966 -0.421 1.00 0.00 C ATOM 292 O SER A 21 11.963 0.186 -0.216 1.00 0.00 O ATOM 293 CB SER A 21 11.415 -1.819 -2.594 1.00 0.00 C ATOM 294 OG SER A 21 10.528 -0.717 -2.696 1.00 0.00 O ATOM 0 H SER A 21 13.191 -3.457 -1.684 1.00 0.00 H new ATOM 0 HA SER A 21 13.165 -0.603 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.676 -2.174 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.919 -2.643 -2.082 1.00 0.00 H new ATOM 0 HG SER A 21 9.655 -1.028 -3.016 1.00 0.00 H new ATOM 300 N GLY A 22 12.486 -1.868 0.551 1.00 0.00 N ATOM 301 CA GLY A 22 12.219 -1.519 1.940 1.00 0.00 C ATOM 302 C GLY A 22 10.736 -1.394 2.246 1.00 0.00 C ATOM 303 O GLY A 22 10.352 -0.960 3.331 1.00 0.00 O ATOM 0 H GLY A 22 12.778 -2.834 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.656 -2.277 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.713 -0.576 2.173 1.00 0.00 H new ATOM 307 N TYR A 23 9.903 -1.780 1.291 1.00 0.00 N ATOM 308 CA TYR A 23 8.457 -1.694 1.450 1.00 0.00 C ATOM 309 C TYR A 23 7.827 -3.077 1.367 1.00 0.00 C ATOM 310 O TYR A 23 8.468 -4.044 0.949 1.00 0.00 O ATOM 311 CB TYR A 23 7.837 -0.812 0.361 1.00 0.00 C ATOM 312 CG TYR A 23 8.303 0.629 0.356 1.00 0.00 C ATOM 313 CD1 TYR A 23 8.064 1.469 1.437 1.00 0.00 C ATOM 314 CD2 TYR A 23 8.958 1.157 -0.749 1.00 0.00 C ATOM 315 CE1 TYR A 23 8.467 2.792 1.415 1.00 0.00 C ATOM 316 CE2 TYR A 23 9.368 2.476 -0.775 1.00 0.00 C ATOM 317 CZ TYR A 23 9.119 3.289 0.307 1.00 0.00 C ATOM 318 OH TYR A 23 9.514 4.606 0.274 1.00 0.00 O ATOM 0 H TYR A 23 10.205 -2.158 0.393 1.00 0.00 H new ATOM 0 HA TYR A 23 8.263 -1.255 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.059 -1.252 -0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.753 -0.826 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.556 1.083 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.150 0.525 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.272 3.433 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.882 2.867 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 23 9.960 4.792 -0.578 1.00 0.00 H new ATOM 328 N TYR A 24 6.570 -3.162 1.772 1.00 0.00 N ATOM 329 CA TYR A 24 5.787 -4.373 1.593 1.00 0.00 C ATOM 330 C TYR A 24 5.081 -4.325 0.251 1.00 0.00 C ATOM 331 O TYR A 24 4.192 -3.504 0.045 1.00 0.00 O ATOM 332 CB TYR A 24 4.753 -4.529 2.708 1.00 0.00 C ATOM 333 CG TYR A 24 5.344 -4.897 4.045 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.502 -6.229 4.403 1.00 0.00 C ATOM 335 CD2 TYR A 24 5.742 -3.922 4.947 1.00 0.00 C ATOM 336 CE1 TYR A 24 6.041 -6.578 5.624 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.282 -4.263 6.170 1.00 0.00 C ATOM 338 CZ TYR A 24 6.430 -5.591 6.505 1.00 0.00 C ATOM 339 OH TYR A 24 6.968 -5.927 7.723 1.00 0.00 O ATOM 0 H TYR A 24 6.068 -2.401 2.230 1.00 0.00 H new ATOM 0 HA TYR A 24 6.462 -5.228 1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.201 -3.595 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.033 -5.294 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.198 -7.004 3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.628 -2.880 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.158 -7.619 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.587 -3.492 6.862 1.00 0.00 H new ATOM 0 HH TYR A 24 7.188 -5.111 8.219 1.00 0.00 H new ATOM 349 N TYR A 25 5.467 -5.201 -0.655 1.00 0.00 N ATOM 350 CA TYR A 25 4.895 -5.204 -1.987 1.00 0.00 C ATOM 351 C TYR A 25 3.485 -5.771 -1.962 1.00 0.00 C ATOM 352 O TYR A 25 3.239 -6.838 -1.395 1.00 0.00 O ATOM 353 CB TYR A 25 5.771 -6.008 -2.954 1.00 0.00 C ATOM 354 CG TYR A 25 5.169 -6.155 -4.335 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.666 -7.376 -4.766 1.00 0.00 C ATOM 356 CD2 TYR A 25 5.090 -5.070 -5.201 1.00 0.00 C ATOM 357 CE1 TYR A 25 4.104 -7.513 -6.020 1.00 0.00 C ATOM 358 CE2 TYR A 25 4.530 -5.200 -6.458 1.00 0.00 C ATOM 359 CZ TYR A 25 4.038 -6.424 -6.861 1.00 0.00 C ATOM 360 OH TYR A 25 3.475 -6.559 -8.109 1.00 0.00 O ATOM 0 H TYR A 25 6.173 -5.919 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 25 4.851 -4.173 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.743 -5.523 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.945 -6.999 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.715 -8.232 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.472 -4.110 -4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.718 -8.470 -6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.478 -4.349 -7.120 1.00 0.00 H new ATOM 0 HH TYR A 25 3.505 -5.698 -8.576 1.00 0.00 H new ATOM 370 N ASP A 26 2.574 -5.029 -2.567 1.00 0.00 N ATOM 371 CA ASP A 26 1.183 -5.418 -2.689 1.00 0.00 C ATOM 372 C ASP A 26 0.911 -5.972 -4.082 1.00 0.00 C ATOM 373 O ASP A 26 0.778 -5.213 -5.046 1.00 0.00 O ATOM 374 CB ASP A 26 0.270 -4.215 -2.433 1.00 0.00 C ATOM 375 CG ASP A 26 -1.143 -4.445 -2.919 1.00 0.00 C ATOM 376 OD1 ASP A 26 -1.527 -3.829 -3.933 1.00 0.00 O ATOM 377 OD2 ASP A 26 -1.862 -5.262 -2.311 1.00 0.00 O ATOM 0 H ASP A 26 2.785 -4.126 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 26 0.976 -6.190 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.252 -3.998 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.683 -3.337 -2.930 1.00 0.00 H new ATOM 382 N PRO A 27 0.880 -7.304 -4.207 1.00 0.00 N ATOM 383 CA PRO A 27 0.508 -7.984 -5.454 1.00 0.00 C ATOM 384 C PRO A 27 -0.993 -7.921 -5.730 1.00 0.00 C ATOM 385 O PRO A 27 -1.445 -8.260 -6.825 1.00 0.00 O ATOM 386 CB PRO A 27 0.936 -9.432 -5.203 1.00 0.00 C ATOM 387 CG PRO A 27 0.864 -9.589 -3.723 1.00 0.00 C ATOM 388 CD PRO A 27 1.255 -8.256 -3.151 1.00 0.00 C ATOM 0 HA PRO A 27 0.977 -7.523 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.275 -10.135 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.944 -9.618 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.141 -9.870 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.537 -10.375 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.728 -8.049 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.322 -8.211 -2.931 1.00 0.00 H new ATOM 396 N THR A 28 -1.760 -7.498 -4.734 1.00 0.00 N ATOM 397 CA THR A 28 -3.208 -7.447 -4.853 1.00 0.00 C ATOM 398 C THR A 28 -3.633 -6.361 -5.836 1.00 0.00 C ATOM 399 O THR A 28 -4.476 -6.589 -6.707 1.00 0.00 O ATOM 400 CB THR A 28 -3.858 -7.174 -3.488 1.00 0.00 C ATOM 401 OG1 THR A 28 -3.013 -7.671 -2.445 1.00 0.00 O ATOM 402 CG2 THR A 28 -5.224 -7.829 -3.390 1.00 0.00 C ATOM 0 H THR A 28 -1.400 -7.185 -3.832 1.00 0.00 H new ATOM 0 HA THR A 28 -3.542 -8.417 -5.223 1.00 0.00 H new ATOM 0 HB THR A 28 -3.986 -6.097 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.409 -6.960 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.659 -7.618 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.874 -7.433 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.121 -8.907 -3.516 1.00 0.00 H new ATOM 410 N THR A 29 -3.051 -5.180 -5.690 1.00 0.00 N ATOM 411 CA THR A 29 -3.340 -4.072 -6.581 1.00 0.00 C ATOM 412 C THR A 29 -2.092 -3.671 -7.365 1.00 0.00 C ATOM 413 O THR A 29 -2.157 -3.411 -8.569 1.00 0.00 O ATOM 414 CB THR A 29 -3.874 -2.856 -5.796 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.908 -3.279 -4.894 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.428 -1.801 -6.739 1.00 0.00 C ATOM 0 H THR A 29 -2.373 -4.966 -4.959 1.00 0.00 H new ATOM 0 HA THR A 29 -4.109 -4.401 -7.280 1.00 0.00 H new ATOM 0 HB THR A 29 -3.047 -2.421 -5.235 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.547 -2.548 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.798 -0.954 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.639 -1.464 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.245 -2.227 -7.322 1.00 0.00 H new ATOM 424 N GLY A 30 -0.956 -3.640 -6.681 1.00 0.00 N ATOM 425 CA GLY A 30 0.291 -3.284 -7.331 1.00 0.00 C ATOM 426 C GLY A 30 0.943 -2.094 -6.667 1.00 0.00 C ATOM 427 O GLY A 30 1.543 -1.244 -7.330 1.00 0.00 O ATOM 0 H GLY A 30 -0.875 -3.855 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.972 -4.135 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.104 -3.058 -8.381 1.00 0.00 H new ATOM 431 N LEU A 31 0.827 -2.034 -5.354 1.00 0.00 N ATOM 432 CA LEU A 31 1.314 -0.888 -4.594 1.00 0.00 C ATOM 433 C LEU A 31 2.409 -1.307 -3.625 1.00 0.00 C ATOM 434 O LEU A 31 2.767 -2.479 -3.547 1.00 0.00 O ATOM 435 CB LEU A 31 0.160 -0.237 -3.828 1.00 0.00 C ATOM 436 CG LEU A 31 -0.970 0.320 -4.699 1.00 0.00 C ATOM 437 CD1 LEU A 31 -2.087 0.873 -3.828 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.448 1.399 -5.640 1.00 0.00 C ATOM 0 H LEU A 31 0.399 -2.765 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 31 1.732 -0.165 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.260 -0.973 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.561 0.573 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.368 -0.496 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.882 1.265 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.484 0.078 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.696 1.673 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.269 1.779 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.020 2.215 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.319 0.976 -6.289 1.00 0.00 H new ATOM 450 N TYR A 32 2.954 -0.340 -2.909 1.00 0.00 N ATOM 451 CA TYR A 32 3.946 -0.614 -1.881 1.00 0.00 C ATOM 452 C TYR A 32 3.474 -0.067 -0.542 1.00 0.00 C ATOM 453 O TYR A 32 3.145 1.103 -0.432 1.00 0.00 O ATOM 454 CB TYR A 32 5.292 0.020 -2.248 1.00 0.00 C ATOM 455 CG TYR A 32 6.089 -0.758 -3.270 1.00 0.00 C ATOM 456 CD1 TYR A 32 6.897 -1.820 -2.881 1.00 0.00 C ATOM 457 CD2 TYR A 32 6.045 -0.424 -4.617 1.00 0.00 C ATOM 458 CE1 TYR A 32 7.639 -2.526 -3.807 1.00 0.00 C ATOM 459 CE2 TYR A 32 6.783 -1.129 -5.549 1.00 0.00 C ATOM 460 CZ TYR A 32 7.578 -2.175 -5.140 1.00 0.00 C ATOM 461 OH TYR A 32 8.323 -2.869 -6.065 1.00 0.00 O ATOM 0 H TYR A 32 2.726 0.648 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 32 4.074 -1.694 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.114 1.025 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.889 0.125 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.945 -2.097 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.425 0.399 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.263 -3.348 -3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.736 -0.860 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 32 8.165 -2.497 -6.958 1.00 0.00 H new ATOM 471 N TYR A 33 3.433 -0.910 0.467 1.00 0.00 N ATOM 472 CA TYR A 33 3.066 -0.472 1.799 1.00 0.00 C ATOM 473 C TYR A 33 4.313 -0.108 2.587 1.00 0.00 C ATOM 474 O TYR A 33 5.210 -0.935 2.758 1.00 0.00 O ATOM 475 CB TYR A 33 2.273 -1.564 2.529 1.00 0.00 C ATOM 476 CG TYR A 33 1.996 -1.246 3.982 1.00 0.00 C ATOM 477 CD1 TYR A 33 2.769 -1.806 4.994 1.00 0.00 C ATOM 478 CD2 TYR A 33 0.964 -0.389 4.343 1.00 0.00 C ATOM 479 CE1 TYR A 33 2.520 -1.522 6.321 1.00 0.00 C ATOM 480 CE2 TYR A 33 0.711 -0.098 5.669 1.00 0.00 C ATOM 481 CZ TYR A 33 1.491 -0.667 6.653 1.00 0.00 C ATOM 482 OH TYR A 33 1.233 -0.387 7.974 1.00 0.00 O ATOM 0 H TYR A 33 3.649 -1.904 0.392 1.00 0.00 H new ATOM 0 HA TYR A 33 2.431 0.410 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.325 -1.719 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.825 -2.502 2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.577 -2.474 4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.350 0.057 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.128 -1.967 7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.094 0.572 5.934 1.00 0.00 H new ATOM 0 HH TYR A 33 0.477 0.233 8.035 1.00 0.00 H new ATOM 492 N ASP A 34 4.376 1.131 3.045 1.00 0.00 N ATOM 493 CA ASP A 34 5.492 1.575 3.869 1.00 0.00 C ATOM 494 C ASP A 34 5.229 1.236 5.325 1.00 0.00 C ATOM 495 O ASP A 34 4.303 1.769 5.934 1.00 0.00 O ATOM 496 CB ASP A 34 5.729 3.083 3.738 1.00 0.00 C ATOM 497 CG ASP A 34 6.901 3.543 4.589 1.00 0.00 C ATOM 498 OD1 ASP A 34 6.856 4.673 5.108 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.858 2.765 4.762 1.00 0.00 O ATOM 0 H ASP A 34 3.672 1.846 2.862 1.00 0.00 H new ATOM 0 HA ASP A 34 6.384 1.056 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.917 3.333 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.829 3.620 4.037 1.00 0.00 H new ATOM 504 N PRO A 35 6.034 0.336 5.896 1.00 0.00 N ATOM 505 CA PRO A 35 5.903 -0.062 7.296 1.00 0.00 C ATOM 506 C PRO A 35 6.121 1.097 8.257 1.00 0.00 C ATOM 507 O PRO A 35 5.677 1.054 9.405 1.00 0.00 O ATOM 508 CB PRO A 35 7.000 -1.113 7.489 1.00 0.00 C ATOM 509 CG PRO A 35 7.937 -0.932 6.342 1.00 0.00 C ATOM 510 CD PRO A 35 7.122 -0.378 5.214 1.00 0.00 C ATOM 0 HA PRO A 35 4.899 -0.430 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.514 -0.973 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.581 -2.119 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.747 -0.253 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.395 -1.880 6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.709 0.291 4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.740 -1.169 4.568 1.00 0.00 H new ATOM 518 N ASN A 36 6.804 2.130 7.791 1.00 0.00 N ATOM 519 CA ASN A 36 7.123 3.257 8.646 1.00 0.00 C ATOM 520 C ASN A 36 5.971 4.255 8.684 1.00 0.00 C ATOM 521 O ASN A 36 5.482 4.607 9.755 1.00 0.00 O ATOM 522 CB ASN A 36 8.403 3.941 8.167 1.00 0.00 C ATOM 523 CG ASN A 36 9.021 4.816 9.237 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.777 6.022 9.299 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.816 4.203 10.096 1.00 0.00 N ATOM 0 H ASN A 36 7.145 2.210 6.833 1.00 0.00 H new ATOM 0 HA ASN A 36 7.282 2.883 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.124 3.184 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.182 4.547 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.256 4.731 10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.989 3.202 10.006 1.00 0.00 H new ATOM 532 N SER A 37 5.525 4.689 7.515 1.00 0.00 N ATOM 533 CA SER A 37 4.472 5.694 7.425 1.00 0.00 C ATOM 534 C SER A 37 3.080 5.077 7.550 1.00 0.00 C ATOM 535 O SER A 37 2.114 5.777 7.852 1.00 0.00 O ATOM 536 CB SER A 37 4.584 6.442 6.099 1.00 0.00 C ATOM 537 OG SER A 37 5.887 6.965 5.921 1.00 0.00 O ATOM 0 H SER A 37 5.875 4.362 6.614 1.00 0.00 H new ATOM 0 HA SER A 37 4.605 6.386 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.343 5.769 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.856 7.253 6.072 1.00 0.00 H new ATOM 0 HG SER A 37 6.399 6.373 5.332 1.00 0.00 H new ATOM 543 N GLN A 38 2.997 3.764 7.314 1.00 0.00 N ATOM 544 CA GLN A 38 1.725 3.034 7.311 1.00 0.00 C ATOM 545 C GLN A 38 0.844 3.491 6.153 1.00 0.00 C ATOM 546 O GLN A 38 -0.384 3.449 6.230 1.00 0.00 O ATOM 547 CB GLN A 38 0.986 3.190 8.644 1.00 0.00 C ATOM 548 CG GLN A 38 1.650 2.455 9.797 1.00 0.00 C ATOM 549 CD GLN A 38 0.979 2.727 11.131 1.00 0.00 C ATOM 550 OE1 GLN A 38 0.958 1.866 12.015 1.00 0.00 O ATOM 551 NE2 GLN A 38 0.436 3.926 11.294 1.00 0.00 N ATOM 0 H GLN A 38 3.809 3.178 7.120 1.00 0.00 H new ATOM 0 HA GLN A 38 1.952 1.976 7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.918 4.250 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.034 2.823 8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.632 1.384 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.698 2.750 9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.474 4.610 10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.020 4.164 12.175 1.00 0.00 H new ATOM 560 N TYR A 39 1.488 3.920 5.074 1.00 0.00 N ATOM 561 CA TYR A 39 0.788 4.385 3.885 1.00 0.00 C ATOM 562 C TYR A 39 1.177 3.554 2.672 1.00 0.00 C ATOM 563 O TYR A 39 2.179 2.836 2.689 1.00 0.00 O ATOM 564 CB TYR A 39 1.100 5.860 3.619 1.00 0.00 C ATOM 565 CG TYR A 39 0.494 6.806 4.630 1.00 0.00 C ATOM 566 CD1 TYR A 39 1.295 7.606 5.432 1.00 0.00 C ATOM 567 CD2 TYR A 39 -0.882 6.892 4.783 1.00 0.00 C ATOM 568 CE1 TYR A 39 0.741 8.466 6.359 1.00 0.00 C ATOM 569 CE2 TYR A 39 -1.447 7.748 5.707 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.630 8.534 6.495 1.00 0.00 C ATOM 571 OH TYR A 39 -1.183 9.393 7.420 1.00 0.00 O ATOM 0 H TYR A 39 2.505 3.955 5.000 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.282 4.274 4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.181 5.997 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.738 6.125 2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.369 7.555 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.523 6.278 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.378 9.083 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.520 7.802 5.813 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.160 9.322 7.390 1.00 0.00 H new ATOM 581 N TYR A 40 0.375 3.659 1.626 1.00 0.00 N ATOM 582 CA TYR A 40 0.630 2.950 0.389 1.00 0.00 C ATOM 583 C TYR A 40 1.312 3.866 -0.610 1.00 0.00 C ATOM 584 O TYR A 40 0.998 5.050 -0.702 1.00 0.00 O ATOM 585 CB TYR A 40 -0.668 2.393 -0.198 1.00 0.00 C ATOM 586 CG TYR A 40 -1.257 1.270 0.623 1.00 0.00 C ATOM 587 CD1 TYR A 40 -0.966 -0.054 0.326 1.00 0.00 C ATOM 588 CD2 TYR A 40 -2.100 1.534 1.696 1.00 0.00 C ATOM 589 CE1 TYR A 40 -1.497 -1.085 1.074 1.00 0.00 C ATOM 590 CE2 TYR A 40 -2.636 0.508 2.449 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.330 -0.801 2.133 1.00 0.00 C ATOM 592 OH TYR A 40 -2.858 -1.828 2.882 1.00 0.00 O ATOM 0 H TYR A 40 -0.466 4.236 1.612 1.00 0.00 H new ATOM 0 HA TYR A 40 1.292 2.111 0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.398 3.198 -0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.477 2.034 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.313 -0.281 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.340 2.557 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.260 -2.110 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.290 0.728 3.280 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.220 -1.470 3.719 1.00 0.00 H new ATOM 602 N TYR A 41 2.245 3.305 -1.344 1.00 0.00 N ATOM 603 CA TYR A 41 3.044 4.045 -2.288 1.00 0.00 C ATOM 604 C TYR A 41 2.762 3.554 -3.699 1.00 0.00 C ATOM 605 O TYR A 41 3.000 2.390 -4.025 1.00 0.00 O ATOM 606 CB TYR A 41 4.527 3.885 -1.940 1.00 0.00 C ATOM 607 CG TYR A 41 5.476 4.563 -2.896 1.00 0.00 C ATOM 608 CD1 TYR A 41 6.408 3.822 -3.602 1.00 0.00 C ATOM 609 CD2 TYR A 41 5.446 5.938 -3.083 1.00 0.00 C ATOM 610 CE1 TYR A 41 7.289 4.429 -4.470 1.00 0.00 C ATOM 611 CE2 TYR A 41 6.322 6.555 -3.952 1.00 0.00 C ATOM 612 CZ TYR A 41 7.244 5.794 -4.643 1.00 0.00 C ATOM 613 OH TYR A 41 8.125 6.401 -5.506 1.00 0.00 O ATOM 0 H TYR A 41 2.471 2.311 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 41 2.787 5.103 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.696 4.282 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.765 2.822 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.445 2.751 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.727 6.533 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.011 3.837 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.287 7.625 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 41 7.961 7.367 -5.515 1.00 0.00 H new ATOM 623 N ASN A 42 2.220 4.436 -4.516 1.00 0.00 N ATOM 624 CA ASN A 42 1.949 4.117 -5.908 1.00 0.00 C ATOM 625 C ASN A 42 3.261 4.105 -6.680 1.00 0.00 C ATOM 626 O ASN A 42 3.959 5.111 -6.738 1.00 0.00 O ATOM 627 CB ASN A 42 0.963 5.136 -6.497 1.00 0.00 C ATOM 628 CG ASN A 42 0.468 4.769 -7.884 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.199 4.213 -8.699 1.00 0.00 O ATOM 630 ND2 ASN A 42 -0.787 5.083 -8.156 1.00 0.00 N ATOM 0 H ASN A 42 1.957 5.382 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 42 1.491 3.131 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.108 5.230 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.444 6.113 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.181 4.864 -9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.362 5.545 -7.451 1.00 0.00 H new ATOM 637 N SER A 43 3.598 2.960 -7.253 1.00 0.00 N ATOM 638 CA SER A 43 4.880 2.789 -7.927 1.00 0.00 C ATOM 639 C SER A 43 4.902 3.472 -9.295 1.00 0.00 C ATOM 640 O SER A 43 5.968 3.705 -9.867 1.00 0.00 O ATOM 641 CB SER A 43 5.193 1.295 -8.061 1.00 0.00 C ATOM 642 OG SER A 43 4.050 0.565 -8.485 1.00 0.00 O ATOM 0 H SER A 43 3.002 2.133 -7.266 1.00 0.00 H new ATOM 0 HA SER A 43 5.649 3.268 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.004 1.154 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.541 0.907 -7.104 1.00 0.00 H new ATOM 0 HG SER A 43 4.279 -0.385 -8.564 1.00 0.00 H new ATOM 648 N LEU A 44 3.724 3.796 -9.810 1.00 0.00 N ATOM 649 CA LEU A 44 3.607 4.433 -11.114 1.00 0.00 C ATOM 650 C LEU A 44 3.576 5.952 -10.982 1.00 0.00 C ATOM 651 O LEU A 44 4.417 6.654 -11.543 1.00 0.00 O ATOM 652 CB LEU A 44 2.345 3.941 -11.826 1.00 0.00 C ATOM 653 CG LEU A 44 2.044 4.604 -13.174 1.00 0.00 C ATOM 654 CD1 LEU A 44 3.162 4.344 -14.171 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.713 4.111 -13.721 1.00 0.00 C ATOM 0 H LEU A 44 2.833 3.627 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 44 4.482 4.162 -11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.433 2.866 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.492 4.098 -11.166 1.00 0.00 H new ATOM 0 HG LEU A 44 1.978 5.681 -13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.923 4.826 -15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.097 4.749 -13.783 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.269 3.270 -14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.513 4.591 -14.679 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.754 3.030 -13.858 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.083 4.358 -13.018 1.00 0.00 H new ATOM 667 N THR A 45 2.611 6.455 -10.223 1.00 0.00 N ATOM 668 CA THR A 45 2.416 7.894 -10.100 1.00 0.00 C ATOM 669 C THR A 45 3.285 8.467 -8.986 1.00 0.00 C ATOM 670 O THR A 45 3.475 9.680 -8.873 1.00 0.00 O ATOM 671 CB THR A 45 0.941 8.228 -9.814 1.00 0.00 C ATOM 672 OG1 THR A 45 0.088 7.320 -10.527 1.00 0.00 O ATOM 673 CG2 THR A 45 0.611 9.658 -10.221 1.00 0.00 C ATOM 0 H THR A 45 1.953 5.891 -9.685 1.00 0.00 H new ATOM 0 HA THR A 45 2.706 8.344 -11.049 1.00 0.00 H new ATOM 0 HB THR A 45 0.775 8.127 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.849 7.536 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.438 9.864 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.239 10.350 -9.660 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.795 9.784 -11.288 1.00 0.00 H new ATOM 681 N GLN A 46 3.805 7.556 -8.166 1.00 0.00 N ATOM 682 CA GLN A 46 4.708 7.884 -7.072 1.00 0.00 C ATOM 683 C GLN A 46 4.054 8.826 -6.069 1.00 0.00 C ATOM 684 O GLN A 46 4.633 9.825 -5.655 1.00 0.00 O ATOM 685 CB GLN A 46 6.019 8.446 -7.624 1.00 0.00 C ATOM 686 CG GLN A 46 6.727 7.448 -8.531 1.00 0.00 C ATOM 687 CD GLN A 46 8.061 7.936 -9.058 1.00 0.00 C ATOM 688 OE1 GLN A 46 8.749 8.734 -8.424 1.00 0.00 O ATOM 689 NE2 GLN A 46 8.441 7.445 -10.225 1.00 0.00 N ATOM 0 H GLN A 46 3.607 6.559 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 46 4.939 6.969 -6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.816 9.361 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.676 8.714 -6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.882 6.519 -7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.078 7.215 -9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.841 6.785 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.334 7.726 -10.630 1.00 0.00 H new ATOM 698 N GLN A 47 2.836 8.477 -5.680 1.00 0.00 N ATOM 699 CA GLN A 47 2.092 9.242 -4.691 1.00 0.00 C ATOM 700 C GLN A 47 1.786 8.362 -3.489 1.00 0.00 C ATOM 701 O GLN A 47 1.970 7.142 -3.545 1.00 0.00 O ATOM 702 CB GLN A 47 0.791 9.767 -5.300 1.00 0.00 C ATOM 703 CG GLN A 47 -0.177 8.670 -5.713 1.00 0.00 C ATOM 704 CD GLN A 47 -1.452 9.214 -6.320 1.00 0.00 C ATOM 705 OE1 GLN A 47 -1.543 9.399 -7.533 1.00 0.00 O ATOM 706 NE2 GLN A 47 -2.444 9.481 -5.488 1.00 0.00 N ATOM 0 H GLN A 47 2.339 7.662 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 47 2.695 10.091 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.300 10.420 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.028 10.377 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.311 8.012 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.424 8.063 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.330 9.314 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.323 9.854 -5.846 1.00 0.00 H new ATOM 715 N TYR A 48 1.306 8.971 -2.415 1.00 0.00 N ATOM 716 CA TYR A 48 1.010 8.235 -1.197 1.00 0.00 C ATOM 717 C TYR A 48 -0.484 8.143 -0.957 1.00 0.00 C ATOM 718 O TYR A 48 -1.227 9.113 -1.135 1.00 0.00 O ATOM 719 CB TYR A 48 1.702 8.862 0.008 1.00 0.00 C ATOM 720 CG TYR A 48 3.147 8.447 0.150 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.513 7.477 1.072 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.142 9.011 -0.641 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.825 7.080 1.206 1.00 0.00 C ATOM 724 CE2 TYR A 48 5.459 8.619 -0.511 1.00 0.00 C ATOM 725 CZ TYR A 48 5.794 7.654 0.414 1.00 0.00 C ATOM 726 OH TYR A 48 7.105 7.258 0.543 1.00 0.00 O ATOM 0 H TYR A 48 1.114 9.971 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 48 1.397 7.224 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.650 9.948 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.161 8.586 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.756 7.025 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.881 9.766 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.092 6.323 1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.222 9.066 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 48 7.662 7.759 -0.089 1.00 0.00 H new ATOM 736 N LEU A 49 -0.910 6.969 -0.538 1.00 0.00 N ATOM 737 CA LEU A 49 -2.320 6.660 -0.389 1.00 0.00 C ATOM 738 C LEU A 49 -2.568 5.949 0.932 1.00 0.00 C ATOM 739 O LEU A 49 -1.627 5.547 1.611 1.00 0.00 O ATOM 740 CB LEU A 49 -2.771 5.761 -1.542 1.00 0.00 C ATOM 741 CG LEU A 49 -2.558 6.343 -2.940 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.547 5.246 -3.988 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.642 7.356 -3.254 1.00 0.00 C ATOM 0 H LEU A 49 -0.288 6.200 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.888 7.590 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.236 4.814 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.831 5.538 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.589 6.842 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.394 5.686 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.739 4.546 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.500 4.717 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.481 7.764 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.617 6.870 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.609 8.163 -2.522 1.00 0.00 H new ATOM 755 N TYR A 50 -3.829 5.800 1.293 1.00 0.00 N ATOM 756 CA TYR A 50 -4.199 5.013 2.456 1.00 0.00 C ATOM 757 C TYR A 50 -5.575 4.406 2.234 1.00 0.00 C ATOM 758 O TYR A 50 -6.396 4.968 1.505 1.00 0.00 O ATOM 759 CB TYR A 50 -4.168 5.856 3.742 1.00 0.00 C ATOM 760 CG TYR A 50 -5.230 6.931 3.842 1.00 0.00 C ATOM 761 CD1 TYR A 50 -5.088 8.147 3.186 1.00 0.00 C ATOM 762 CD2 TYR A 50 -6.361 6.735 4.624 1.00 0.00 C ATOM 763 CE1 TYR A 50 -6.045 9.137 3.307 1.00 0.00 C ATOM 764 CE2 TYR A 50 -7.324 7.716 4.745 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.163 8.915 4.085 1.00 0.00 C ATOM 766 OH TYR A 50 -8.115 9.900 4.213 1.00 0.00 O ATOM 0 H TYR A 50 -4.617 6.215 0.796 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.469 4.213 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.271 5.187 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.189 6.328 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.217 8.322 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.489 5.799 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.918 10.080 2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.199 7.545 5.354 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.838 9.583 4.794 1.00 0.00 H new ATOM 776 N TRP A 51 -5.816 3.244 2.824 1.00 0.00 N ATOM 777 CA TRP A 51 -7.107 2.591 2.696 1.00 0.00 C ATOM 778 C TRP A 51 -8.087 3.154 3.712 1.00 0.00 C ATOM 779 O TRP A 51 -7.858 3.076 4.920 1.00 0.00 O ATOM 780 CB TRP A 51 -6.990 1.073 2.877 1.00 0.00 C ATOM 781 CG TRP A 51 -8.323 0.379 2.836 1.00 0.00 C ATOM 782 CD1 TRP A 51 -9.096 0.024 3.907 1.00 0.00 C ATOM 783 CD2 TRP A 51 -9.051 -0.023 1.669 1.00 0.00 C ATOM 784 NE1 TRP A 51 -10.257 -0.564 3.475 1.00 0.00 N ATOM 785 CE2 TRP A 51 -10.252 -0.611 2.109 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.806 0.054 0.296 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -11.208 -1.106 1.230 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.754 -0.446 -0.579 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.941 -1.022 -0.107 1.00 0.00 C ATOM 0 H TRP A 51 -5.137 2.738 3.393 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.476 2.787 1.689 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.349 0.666 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.504 0.861 3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.831 0.183 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.004 -0.911 4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.893 0.496 -0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -12.128 -1.541 1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.576 -0.391 -1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.660 -1.408 -0.815 1.00 0.00 H new ATOM 800 N ASP A 52 -9.163 3.732 3.216 1.00 0.00 N ATOM 801 CA ASP A 52 -10.231 4.212 4.078 1.00 0.00 C ATOM 802 C ASP A 52 -11.415 3.258 4.018 1.00 0.00 C ATOM 803 O ASP A 52 -11.822 2.837 2.937 1.00 0.00 O ATOM 804 CB ASP A 52 -10.670 5.614 3.670 1.00 0.00 C ATOM 805 CG ASP A 52 -11.821 6.112 4.517 1.00 0.00 C ATOM 806 OD1 ASP A 52 -12.933 6.252 3.977 1.00 0.00 O ATOM 807 OD2 ASP A 52 -11.627 6.330 5.732 1.00 0.00 O ATOM 0 H ASP A 52 -9.323 3.882 2.220 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.855 4.255 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.828 6.300 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.965 5.611 2.621 1.00 0.00 H new ATOM 812 N GLY A 53 -11.958 2.919 5.177 1.00 0.00 N ATOM 813 CA GLY A 53 -13.045 1.961 5.240 1.00 0.00 C ATOM 814 C GLY A 53 -14.385 2.543 4.824 1.00 0.00 C ATOM 815 O GLY A 53 -15.348 1.807 4.629 1.00 0.00 O ATOM 0 H GLY A 53 -11.665 3.292 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.810 1.113 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.123 1.578 6.257 1.00 0.00 H new ATOM 819 N GLU A 54 -14.454 3.860 4.693 1.00 0.00 N ATOM 820 CA GLU A 54 -15.690 4.521 4.292 1.00 0.00 C ATOM 821 C GLU A 54 -15.748 4.644 2.772 1.00 0.00 C ATOM 822 O GLU A 54 -16.744 4.287 2.141 1.00 0.00 O ATOM 823 CB GLU A 54 -15.776 5.908 4.933 1.00 0.00 C ATOM 824 CG GLU A 54 -17.123 6.589 4.752 1.00 0.00 C ATOM 825 CD GLU A 54 -18.244 5.853 5.454 1.00 0.00 C ATOM 826 OE1 GLU A 54 -18.320 5.929 6.698 1.00 0.00 O ATOM 827 OE2 GLU A 54 -19.058 5.202 4.766 1.00 0.00 O ATOM 0 H GLU A 54 -13.671 4.492 4.858 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.536 3.922 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.566 5.818 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.999 6.543 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.066 7.608 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.350 6.661 3.688 1.00 0.00 H new ATOM 834 N LYS A 55 -14.666 5.143 2.194 1.00 0.00 N ATOM 835 CA LYS A 55 -14.568 5.317 0.751 1.00 0.00 C ATOM 836 C LYS A 55 -14.208 3.995 0.074 1.00 0.00 C ATOM 837 O LYS A 55 -14.412 3.839 -1.132 1.00 0.00 O ATOM 838 CB LYS A 55 -13.503 6.373 0.435 1.00 0.00 C ATOM 839 CG LYS A 55 -13.669 7.660 1.232 1.00 0.00 C ATOM 840 CD LYS A 55 -14.953 8.387 0.869 1.00 0.00 C ATOM 841 CE LYS A 55 -14.806 9.171 -0.424 1.00 0.00 C ATOM 842 NZ LYS A 55 -13.881 10.323 -0.268 1.00 0.00 N ATOM 0 H LYS A 55 -13.835 5.437 2.707 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.534 5.648 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.517 5.955 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.539 6.607 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.670 7.430 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.817 8.314 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.764 7.666 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.229 9.065 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.436 8.511 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.784 9.531 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.056 11.014 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.041 10.774 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.898 9.989 -0.325 1.00 0.00 H new ATOM 856 N GLU A 56 -13.690 3.055 0.864 1.00 0.00 N ATOM 857 CA GLU A 56 -13.251 1.746 0.371 1.00 0.00 C ATOM 858 C GLU A 56 -12.408 1.880 -0.889 1.00 0.00 C ATOM 859 O GLU A 56 -12.774 1.392 -1.965 1.00 0.00 O ATOM 860 CB GLU A 56 -14.433 0.811 0.123 1.00 0.00 C ATOM 861 CG GLU A 56 -15.179 0.448 1.391 1.00 0.00 C ATOM 862 CD GLU A 56 -15.975 -0.826 1.249 1.00 0.00 C ATOM 863 OE1 GLU A 56 -15.756 -1.757 2.052 1.00 0.00 O ATOM 864 OE2 GLU A 56 -16.816 -0.915 0.327 1.00 0.00 O ATOM 0 H GLU A 56 -13.562 3.179 1.868 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.631 1.306 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.123 1.285 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.074 -0.101 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.467 0.338 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.850 1.264 1.660 1.00 0.00 H new ATOM 871 N THR A 57 -11.286 2.556 -0.743 1.00 0.00 N ATOM 872 CA THR A 57 -10.349 2.735 -1.827 1.00 0.00 C ATOM 873 C THR A 57 -9.065 3.334 -1.269 1.00 0.00 C ATOM 874 O THR A 57 -9.015 3.719 -0.092 1.00 0.00 O ATOM 875 CB THR A 57 -10.939 3.640 -2.937 1.00 0.00 C ATOM 876 OG1 THR A 57 -10.086 3.638 -4.092 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.125 5.067 -2.448 1.00 0.00 C ATOM 0 H THR A 57 -11.001 2.996 0.132 1.00 0.00 H new ATOM 0 HA THR A 57 -10.137 1.767 -2.281 1.00 0.00 H new ATOM 0 HB THR A 57 -11.915 3.236 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.473 4.213 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.541 5.676 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.807 5.074 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.161 5.476 -2.144 1.00 0.00 H new ATOM 885 N TYR A 58 -8.027 3.380 -2.086 1.00 0.00 N ATOM 886 CA TYR A 58 -6.771 3.975 -1.677 1.00 0.00 C ATOM 887 C TYR A 58 -6.786 5.453 -2.017 1.00 0.00 C ATOM 888 O TYR A 58 -6.559 5.845 -3.161 1.00 0.00 O ATOM 889 CB TYR A 58 -5.591 3.289 -2.358 1.00 0.00 C ATOM 890 CG TYR A 58 -5.504 1.802 -2.093 1.00 0.00 C ATOM 891 CD1 TYR A 58 -5.996 0.881 -3.011 1.00 0.00 C ATOM 892 CD2 TYR A 58 -4.927 1.320 -0.925 1.00 0.00 C ATOM 893 CE1 TYR A 58 -5.914 -0.478 -2.772 1.00 0.00 C ATOM 894 CE2 TYR A 58 -4.841 -0.037 -0.678 1.00 0.00 C ATOM 895 CZ TYR A 58 -5.335 -0.932 -1.603 1.00 0.00 C ATOM 896 OH TYR A 58 -5.248 -2.285 -1.356 1.00 0.00 O ATOM 0 H TYR A 58 -8.031 3.011 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.654 3.846 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.661 3.452 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.667 3.761 -2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.450 1.233 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.539 2.018 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.300 -1.181 -3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.389 -0.395 0.235 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.813 -2.432 -0.490 1.00 0.00 H new ATOM 906 N VAL A 59 -7.061 6.260 -1.018 1.00 0.00 N ATOM 907 CA VAL A 59 -7.191 7.695 -1.196 1.00 0.00 C ATOM 908 C VAL A 59 -5.882 8.391 -0.869 1.00 0.00 C ATOM 909 O VAL A 59 -5.138 7.944 0.005 1.00 0.00 O ATOM 910 CB VAL A 59 -8.326 8.274 -0.325 1.00 0.00 C ATOM 911 CG1 VAL A 59 -9.676 7.979 -0.954 1.00 0.00 C ATOM 912 CG2 VAL A 59 -8.274 7.710 1.085 1.00 0.00 C ATOM 0 H VAL A 59 -7.201 5.944 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.442 7.874 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.189 9.354 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.467 8.393 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.722 8.431 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.809 6.901 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.085 8.135 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.382 6.626 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.318 7.964 1.543 1.00 0.00 H new ATOM 922 N PRO A 60 -5.573 9.478 -1.589 1.00 0.00 N ATOM 923 CA PRO A 60 -4.317 10.208 -1.417 1.00 0.00 C ATOM 924 C PRO A 60 -4.178 10.797 -0.023 1.00 0.00 C ATOM 925 O PRO A 60 -5.027 11.570 0.427 1.00 0.00 O ATOM 926 CB PRO A 60 -4.393 11.319 -2.471 1.00 0.00 C ATOM 927 CG PRO A 60 -5.841 11.452 -2.792 1.00 0.00 C ATOM 928 CD PRO A 60 -6.425 10.080 -2.627 1.00 0.00 C ATOM 0 HA PRO A 60 -3.451 9.557 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.987 12.255 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.815 11.061 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.325 12.166 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.984 11.818 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.469 10.121 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.390 9.512 -3.557 1.00 0.00 H new ATOM 936 N ALA A 61 -3.098 10.423 0.653 1.00 0.00 N ATOM 937 CA ALA A 61 -2.822 10.916 1.996 1.00 0.00 C ATOM 938 C ALA A 61 -2.543 12.410 1.958 1.00 0.00 C ATOM 939 O ALA A 61 -2.757 13.126 2.936 1.00 0.00 O ATOM 940 CB ALA A 61 -1.648 10.166 2.606 1.00 0.00 C ATOM 0 H ALA A 61 -2.397 9.777 0.291 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.699 10.743 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.455 10.546 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.884 9.103 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.763 10.310 1.987 1.00 0.00 H new ATOM 946 N ALA A 62 -2.060 12.867 0.810 1.00 0.00 N ATOM 947 CA ALA A 62 -1.865 14.284 0.565 1.00 0.00 C ATOM 948 C ALA A 62 -2.882 14.773 -0.461 1.00 0.00 C ATOM 949 O ALA A 62 -3.046 14.167 -1.522 1.00 0.00 O ATOM 950 CB ALA A 62 -0.446 14.551 0.084 1.00 0.00 C ATOM 0 H ALA A 62 -1.795 12.267 0.029 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.014 14.830 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.317 15.618 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.263 14.222 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.267 14.004 -0.841 1.00 0.00 H new ATOM 956 N GLU A 63 -3.571 15.860 -0.145 1.00 0.00 N ATOM 957 CA GLU A 63 -4.580 16.412 -1.045 1.00 0.00 C ATOM 958 C GLU A 63 -3.960 17.419 -2.008 1.00 0.00 C ATOM 959 O GLU A 63 -4.649 18.274 -2.565 1.00 0.00 O ATOM 960 CB GLU A 63 -5.724 17.049 -0.250 1.00 0.00 C ATOM 961 CG GLU A 63 -5.264 18.018 0.828 1.00 0.00 C ATOM 962 CD GLU A 63 -6.410 18.538 1.671 1.00 0.00 C ATOM 963 OE1 GLU A 63 -6.595 19.769 1.743 1.00 0.00 O ATOM 964 OE2 GLU A 63 -7.127 17.714 2.281 1.00 0.00 O ATOM 0 H GLU A 63 -3.452 16.378 0.725 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.991 15.593 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.383 17.576 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.314 16.259 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.540 17.521 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.751 18.859 0.361 1.00 0.00 H new ATOM 971 N SER A 64 -2.657 17.298 -2.204 1.00 0.00 N ATOM 972 CA SER A 64 -1.932 18.152 -3.125 1.00 0.00 C ATOM 973 C SER A 64 -1.775 17.455 -4.477 1.00 0.00 C ATOM 974 O SER A 64 -0.912 16.559 -4.590 1.00 0.00 O ATOM 975 CB SER A 64 -0.562 18.495 -2.542 1.00 0.00 C ATOM 976 OG SER A 64 -0.677 18.929 -1.192 1.00 0.00 O ATOM 977 OXT SER A 64 -2.522 17.792 -5.417 1.00 0.00 O ATOM 0 H SER A 64 -2.076 16.607 -1.730 1.00 0.00 H new ATOM 0 HA SER A 64 -2.494 19.074 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.088 17.621 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.093 19.276 -3.140 1.00 0.00 H new ATOM 0 HG SER A 64 0.213 19.141 -0.840 1.00 0.00 H new TER 983 SER A 64