USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 12 ASN : amide:sc= -3.44! C(o=-3.6!,f=-8.8!) USER MOD Set 1.2: A 13 LYS NZ :NH3+ -142:sc= -0.118 (180deg=-2.15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 10:sc= 0.41! USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00993 USER MOD Single : A 27 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -165:sc= -1.91 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.272 USER MOD Single : A 48 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.14) USER MOD Single : A 49 THR OG1 : rot 81:sc= -0.969 USER MOD Single : A 54 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.011) USER MOD Single : A 55 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.73) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 70:sc= 0.157 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.528 29.973 9.947 1.00 0.00 N ATOM 2 CA GLY A 1 -22.381 29.636 8.543 1.00 0.00 C ATOM 3 C GLY A 1 -21.325 30.476 7.852 1.00 0.00 C ATOM 4 O GLY A 1 -20.255 30.721 8.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.261 29.371 10.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.624 29.818 10.438 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.804 30.972 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.120 28.582 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.337 29.772 8.038 1.00 0.00 H new ATOM 8 N SER A 2 -21.626 30.918 6.635 1.00 0.00 N ATOM 9 CA SER A 2 -20.693 31.732 5.865 1.00 0.00 C ATOM 10 C SER A 2 -19.252 31.309 6.136 1.00 0.00 C ATOM 11 O SER A 2 -18.365 32.149 6.287 1.00 0.00 O ATOM 12 CB SER A 2 -20.874 33.213 6.204 1.00 0.00 C ATOM 13 OG SER A 2 -22.229 33.605 6.066 1.00 0.00 O ATOM 0 H SER A 2 -22.509 30.726 6.161 1.00 0.00 H new ATOM 0 HA SER A 2 -20.905 31.581 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.540 33.399 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.248 33.819 5.549 1.00 0.00 H new ATOM 0 HG SER A 2 -22.319 34.555 6.290 1.00 0.00 H new ATOM 19 N SER A 3 -19.027 30.000 6.196 1.00 0.00 N ATOM 20 CA SER A 3 -17.696 29.464 6.453 1.00 0.00 C ATOM 21 C SER A 3 -17.075 28.915 5.172 1.00 0.00 C ATOM 22 O SER A 3 -17.782 28.545 4.235 1.00 0.00 O ATOM 23 CB SER A 3 -17.761 28.364 7.514 1.00 0.00 C ATOM 24 OG SER A 3 -16.471 28.065 8.018 1.00 0.00 O ATOM 0 H SER A 3 -19.750 29.291 6.070 1.00 0.00 H new ATOM 0 HA SER A 3 -17.069 30.276 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.410 28.680 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.204 27.466 7.084 1.00 0.00 H new ATOM 0 HG SER A 3 -16.540 27.360 8.696 1.00 0.00 H new ATOM 30 N GLY A 4 -15.747 28.864 5.139 1.00 0.00 N ATOM 31 CA GLY A 4 -15.052 28.358 3.970 1.00 0.00 C ATOM 32 C GLY A 4 -13.863 27.491 4.331 1.00 0.00 C ATOM 33 O GLY A 4 -13.631 27.202 5.505 1.00 0.00 O ATOM 0 H GLY A 4 -15.140 29.164 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.747 27.780 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.714 29.197 3.361 1.00 0.00 H new ATOM 37 N SER A 5 -13.107 27.074 3.320 1.00 0.00 N ATOM 38 CA SER A 5 -11.938 26.231 3.537 1.00 0.00 C ATOM 39 C SER A 5 -10.688 26.872 2.943 1.00 0.00 C ATOM 40 O SER A 5 -10.481 26.847 1.730 1.00 0.00 O ATOM 41 CB SER A 5 -12.159 24.848 2.920 1.00 0.00 C ATOM 42 OG SER A 5 -11.438 23.853 3.627 1.00 0.00 O ATOM 0 H SER A 5 -13.284 27.307 2.343 1.00 0.00 H new ATOM 0 HA SER A 5 -11.793 26.123 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.222 24.607 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.844 24.857 1.876 1.00 0.00 H new ATOM 0 HG SER A 5 -11.597 22.978 3.214 1.00 0.00 H new ATOM 48 N SER A 6 -9.856 27.445 3.807 1.00 0.00 N ATOM 49 CA SER A 6 -8.628 28.097 3.369 1.00 0.00 C ATOM 50 C SER A 6 -7.426 27.573 4.150 1.00 0.00 C ATOM 51 O SER A 6 -7.439 27.538 5.380 1.00 0.00 O ATOM 52 CB SER A 6 -8.740 29.613 3.540 1.00 0.00 C ATOM 53 OG SER A 6 -8.600 29.984 4.901 1.00 0.00 O ATOM 0 H SER A 6 -10.010 27.471 4.815 1.00 0.00 H new ATOM 0 HA SER A 6 -8.482 27.868 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.973 30.107 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.704 29.954 3.164 1.00 0.00 H new ATOM 0 HG SER A 6 -8.312 29.207 5.424 1.00 0.00 H new ATOM 59 N GLY A 7 -6.388 27.166 3.426 1.00 0.00 N ATOM 60 CA GLY A 7 -5.193 26.649 4.066 1.00 0.00 C ATOM 61 C GLY A 7 -4.276 25.935 3.093 1.00 0.00 C ATOM 62 O GLY A 7 -4.370 24.724 2.894 1.00 0.00 O ATOM 0 H GLY A 7 -6.354 27.185 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.651 27.471 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.479 25.961 4.862 1.00 0.00 H new ATOM 66 N PRO A 8 -3.366 26.695 2.466 1.00 0.00 N ATOM 67 CA PRO A 8 -2.412 26.148 1.496 1.00 0.00 C ATOM 68 C PRO A 8 -1.361 25.261 2.155 1.00 0.00 C ATOM 69 O PRO A 8 -1.401 25.028 3.364 1.00 0.00 O ATOM 70 CB PRO A 8 -1.759 27.397 0.899 1.00 0.00 C ATOM 71 CG PRO A 8 -1.902 28.440 1.953 1.00 0.00 C ATOM 72 CD PRO A 8 -3.199 28.145 2.654 1.00 0.00 C ATOM 0 HA PRO A 8 -2.900 25.511 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.711 27.219 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.252 27.698 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.065 28.407 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.913 29.438 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.154 28.411 3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.027 28.705 2.219 1.00 0.00 H new ATOM 80 N CYS A 9 -0.423 24.769 1.354 1.00 0.00 N ATOM 81 CA CYS A 9 0.639 23.906 1.859 1.00 0.00 C ATOM 82 C CYS A 9 2.008 24.411 1.414 1.00 0.00 C ATOM 83 O CYS A 9 2.261 24.578 0.221 1.00 0.00 O ATOM 84 CB CYS A 9 0.431 22.470 1.377 1.00 0.00 C ATOM 85 SG CYS A 9 -0.752 21.524 2.365 1.00 0.00 S ATOM 0 H CYS A 9 -0.376 24.953 0.352 1.00 0.00 H new ATOM 0 HA CYS A 9 0.601 23.925 2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.089 22.491 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.390 21.953 1.385 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.862 20.324 1.878 1.00 0.00 H new ATOM 91 N TYR A 10 2.886 24.654 2.381 1.00 0.00 N ATOM 92 CA TYR A 10 4.228 25.144 2.090 1.00 0.00 C ATOM 93 C TYR A 10 5.267 24.047 2.304 1.00 0.00 C ATOM 94 O TYR A 10 5.659 23.762 3.435 1.00 0.00 O ATOM 95 CB TYR A 10 4.555 26.351 2.970 1.00 0.00 C ATOM 96 CG TYR A 10 3.541 27.468 2.867 1.00 0.00 C ATOM 97 CD1 TYR A 10 3.335 28.137 1.667 1.00 0.00 C ATOM 98 CD2 TYR A 10 2.789 27.855 3.969 1.00 0.00 C ATOM 99 CE1 TYR A 10 2.410 29.159 1.568 1.00 0.00 C ATOM 100 CE2 TYR A 10 1.861 28.874 3.879 1.00 0.00 C ATOM 101 CZ TYR A 10 1.675 29.523 2.676 1.00 0.00 C ATOM 102 OH TYR A 10 0.753 30.540 2.583 1.00 0.00 O ATOM 0 H TYR A 10 2.692 24.520 3.373 1.00 0.00 H new ATOM 0 HA TYR A 10 4.257 25.448 1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.621 26.026 4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.537 26.736 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.908 27.853 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.933 27.350 4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.264 29.670 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.284 29.161 4.746 1.00 0.00 H new ATOM 0 HH TYR A 10 0.321 30.670 3.453 1.00 0.00 H new ATOM 112 N GLU A 11 5.708 23.437 1.209 1.00 0.00 N ATOM 113 CA GLU A 11 6.702 22.372 1.277 1.00 0.00 C ATOM 114 C GLU A 11 7.667 22.451 0.097 1.00 0.00 C ATOM 115 O GLU A 11 7.288 22.854 -1.002 1.00 0.00 O ATOM 116 CB GLU A 11 6.015 21.004 1.297 1.00 0.00 C ATOM 117 CG GLU A 11 5.186 20.758 2.546 1.00 0.00 C ATOM 118 CD GLU A 11 4.081 19.745 2.322 1.00 0.00 C ATOM 119 OE1 GLU A 11 4.366 18.531 2.394 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.931 20.164 2.075 1.00 0.00 O ATOM 0 H GLU A 11 5.393 23.661 0.265 1.00 0.00 H new ATOM 0 HA GLU A 11 7.271 22.499 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.372 20.917 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.773 20.225 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.837 20.408 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.749 21.699 2.879 1.00 0.00 H new ATOM 127 N ASN A 12 8.916 22.065 0.335 1.00 0.00 N ATOM 128 CA ASN A 12 9.936 22.093 -0.707 1.00 0.00 C ATOM 129 C ASN A 12 9.568 21.157 -1.854 1.00 0.00 C ATOM 130 O ASN A 12 9.530 21.565 -3.015 1.00 0.00 O ATOM 131 CB ASN A 12 11.296 21.699 -0.128 1.00 0.00 C ATOM 132 CG ASN A 12 11.436 20.200 0.051 1.00 0.00 C ATOM 133 OD1 ASN A 12 12.208 19.549 -0.654 1.00 0.00 O ATOM 134 ND2 ASN A 12 10.687 19.645 0.997 1.00 0.00 N ATOM 0 H ASN A 12 9.246 21.729 1.240 1.00 0.00 H new ATOM 0 HA ASN A 12 9.995 23.109 -1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.086 22.059 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.435 22.192 0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.738 18.640 1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.061 20.224 1.557 1.00 0.00 H new ATOM 141 N LYS A 13 9.298 19.900 -1.521 1.00 0.00 N ATOM 142 CA LYS A 13 8.931 18.904 -2.521 1.00 0.00 C ATOM 143 C LYS A 13 7.596 18.253 -2.176 1.00 0.00 C ATOM 144 O LYS A 13 7.075 18.427 -1.074 1.00 0.00 O ATOM 145 CB LYS A 13 10.020 17.835 -2.630 1.00 0.00 C ATOM 146 CG LYS A 13 10.179 16.999 -1.371 1.00 0.00 C ATOM 147 CD LYS A 13 11.239 15.925 -1.546 1.00 0.00 C ATOM 148 CE LYS A 13 12.627 16.452 -1.216 1.00 0.00 C ATOM 149 NZ LYS A 13 13.173 17.300 -2.312 1.00 0.00 N ATOM 0 H LYS A 13 9.326 19.546 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 13 8.831 19.410 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.788 17.176 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.970 18.318 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.449 17.645 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.226 16.534 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.008 15.076 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.222 15.560 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.586 17.032 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.300 15.614 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.192 17.121 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.690 17.069 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.019 18.303 -2.085 1.00 0.00 H new ATOM 163 N PHE A 14 7.047 17.500 -3.124 1.00 0.00 N ATOM 164 CA PHE A 14 5.773 16.821 -2.919 1.00 0.00 C ATOM 165 C PHE A 14 5.828 15.391 -3.447 1.00 0.00 C ATOM 166 O PHE A 14 6.427 15.125 -4.489 1.00 0.00 O ATOM 167 CB PHE A 14 4.645 17.589 -3.611 1.00 0.00 C ATOM 168 CG PHE A 14 4.520 17.281 -5.076 1.00 0.00 C ATOM 169 CD1 PHE A 14 5.560 17.560 -5.948 1.00 0.00 C ATOM 170 CD2 PHE A 14 3.362 16.711 -5.581 1.00 0.00 C ATOM 171 CE1 PHE A 14 5.448 17.276 -7.296 1.00 0.00 C ATOM 172 CE2 PHE A 14 3.245 16.425 -6.928 1.00 0.00 C ATOM 173 CZ PHE A 14 4.289 16.710 -7.787 1.00 0.00 C ATOM 0 H PHE A 14 7.465 17.345 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 14 5.576 16.787 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.702 17.356 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.815 18.658 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.469 18.005 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.542 16.488 -4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.267 17.497 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.338 15.979 -7.309 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.198 16.490 -8.841 1.00 0.00 H new ATOM 183 N ALA A 15 5.198 14.473 -2.721 1.00 0.00 N ATOM 184 CA ALA A 15 5.173 13.071 -3.116 1.00 0.00 C ATOM 185 C ALA A 15 4.232 12.266 -2.225 1.00 0.00 C ATOM 186 O ALA A 15 3.912 12.660 -1.103 1.00 0.00 O ATOM 187 CB ALA A 15 6.576 12.484 -3.070 1.00 0.00 C ATOM 0 H ALA A 15 4.698 14.676 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 15 4.801 13.014 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.542 11.436 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.223 13.034 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.969 12.561 -2.056 1.00 0.00 H new ATOM 193 N PRO A 16 3.776 11.112 -2.734 1.00 0.00 N ATOM 194 CA PRO A 16 2.865 10.228 -2.001 1.00 0.00 C ATOM 195 C PRO A 16 3.544 9.551 -0.816 1.00 0.00 C ATOM 196 O PRO A 16 4.743 9.277 -0.848 1.00 0.00 O ATOM 197 CB PRO A 16 2.458 9.190 -3.050 1.00 0.00 C ATOM 198 CG PRO A 16 3.585 9.175 -4.025 1.00 0.00 C ATOM 199 CD PRO A 16 4.116 10.580 -4.065 1.00 0.00 C ATOM 0 HA PRO A 16 2.024 10.773 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.311 8.208 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.520 9.462 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.360 8.474 -3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.244 8.858 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.191 10.598 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.652 11.162 -4.861 1.00 0.00 H new ATOM 207 N ARG A 17 2.768 9.283 0.230 1.00 0.00 N ATOM 208 CA ARG A 17 3.295 8.638 1.427 1.00 0.00 C ATOM 209 C ARG A 17 2.489 7.389 1.771 1.00 0.00 C ATOM 210 O ARG A 17 1.263 7.379 1.659 1.00 0.00 O ATOM 211 CB ARG A 17 3.277 9.611 2.607 1.00 0.00 C ATOM 212 CG ARG A 17 4.034 10.903 2.342 1.00 0.00 C ATOM 213 CD ARG A 17 4.390 11.615 3.638 1.00 0.00 C ATOM 214 NE ARG A 17 5.144 12.843 3.398 1.00 0.00 N ATOM 215 CZ ARG A 17 4.584 14.045 3.318 1.00 0.00 C ATOM 216 NH1 ARG A 17 3.273 14.180 3.459 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.337 15.115 3.098 1.00 0.00 N ATOM 0 H ARG A 17 1.773 9.503 0.272 1.00 0.00 H new ATOM 0 HA ARG A 17 4.324 8.341 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.243 9.850 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.708 9.119 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.944 10.685 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.427 11.560 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.477 11.851 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.976 10.947 4.269 1.00 0.00 H new ATOM 0 HE ARG A 17 6.155 12.774 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.691 13.360 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.846 15.104 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.346 15.015 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.907 16.038 3.037 1.00 0.00 H new ATOM 231 N CYS A 18 3.186 6.338 2.190 1.00 0.00 N ATOM 232 CA CYS A 18 2.536 5.084 2.550 1.00 0.00 C ATOM 233 C CYS A 18 1.295 5.338 3.400 1.00 0.00 C ATOM 234 O CYS A 18 1.361 6.012 4.428 1.00 0.00 O ATOM 235 CB CYS A 18 3.510 4.180 3.309 1.00 0.00 C ATOM 236 SG CYS A 18 2.827 2.548 3.742 1.00 0.00 S ATOM 0 H CYS A 18 4.201 6.330 2.289 1.00 0.00 H new ATOM 0 HA CYS A 18 2.229 4.586 1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.405 4.038 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.821 4.686 4.223 1.00 0.00 H new ATOM 241 N ALA A 19 0.163 4.795 2.963 1.00 0.00 N ATOM 242 CA ALA A 19 -1.093 4.961 3.684 1.00 0.00 C ATOM 243 C ALA A 19 -1.014 4.339 5.074 1.00 0.00 C ATOM 244 O ALA A 19 -1.837 4.630 5.943 1.00 0.00 O ATOM 245 CB ALA A 19 -2.240 4.349 2.894 1.00 0.00 C ATOM 0 H ALA A 19 0.090 4.236 2.113 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.277 6.029 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.172 4.480 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.318 4.842 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.053 3.285 2.746 1.00 0.00 H new ATOM 251 N ARG A 20 -0.019 3.481 5.278 1.00 0.00 N ATOM 252 CA ARG A 20 0.165 2.816 6.562 1.00 0.00 C ATOM 253 C ARG A 20 1.065 3.642 7.478 1.00 0.00 C ATOM 254 O ARG A 20 0.666 4.023 8.579 1.00 0.00 O ATOM 255 CB ARG A 20 0.767 1.424 6.359 1.00 0.00 C ATOM 256 CG ARG A 20 1.168 0.739 7.655 1.00 0.00 C ATOM 257 CD ARG A 20 -0.049 0.341 8.475 1.00 0.00 C ATOM 258 NE ARG A 20 0.323 -0.313 9.726 1.00 0.00 N ATOM 259 CZ ARG A 20 0.858 -1.527 9.790 1.00 0.00 C ATOM 260 NH1 ARG A 20 1.082 -2.216 8.679 1.00 0.00 N ATOM 261 NH2 ARG A 20 1.171 -2.055 10.966 1.00 0.00 N ATOM 0 H ARG A 20 0.672 3.230 4.570 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.812 2.716 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.045 0.798 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.643 1.507 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.762 -0.147 7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.800 1.407 8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.645 1.227 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.677 -0.329 7.889 1.00 0.00 H new ATOM 0 HE ARG A 20 0.163 0.190 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.843 -1.814 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.493 -3.148 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.001 -1.529 11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.582 -2.987 11.013 1.00 0.00 H new ATOM 275 N CYS A 21 2.280 3.914 7.015 1.00 0.00 N ATOM 276 CA CYS A 21 3.237 4.693 7.791 1.00 0.00 C ATOM 277 C CYS A 21 3.170 6.170 7.412 1.00 0.00 C ATOM 278 O CYS A 21 3.259 7.047 8.272 1.00 0.00 O ATOM 279 CB CYS A 21 4.655 4.163 7.571 1.00 0.00 C ATOM 280 SG CYS A 21 4.740 2.368 7.274 1.00 0.00 S ATOM 0 H CYS A 21 2.625 3.606 6.106 1.00 0.00 H new ATOM 0 HA CYS A 21 2.979 4.594 8.845 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.098 4.682 6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.261 4.405 8.444 1.00 0.00 H new ATOM 285 N SER A 22 3.013 6.437 6.120 1.00 0.00 N ATOM 286 CA SER A 22 2.938 7.808 5.626 1.00 0.00 C ATOM 287 C SER A 22 4.287 8.507 5.757 1.00 0.00 C ATOM 288 O SER A 22 4.372 9.631 6.251 1.00 0.00 O ATOM 289 CB SER A 22 1.869 8.590 6.392 1.00 0.00 C ATOM 290 OG SER A 22 1.431 9.715 5.650 1.00 0.00 O ATOM 0 H SER A 22 2.935 5.723 5.396 1.00 0.00 H new ATOM 0 HA SER A 22 2.667 7.774 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.021 7.939 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.270 8.917 7.351 1.00 0.00 H new ATOM 0 HG SER A 22 0.747 10.197 6.160 1.00 0.00 H new ATOM 296 N LYS A 23 5.341 7.833 5.309 1.00 0.00 N ATOM 297 CA LYS A 23 6.688 8.387 5.374 1.00 0.00 C ATOM 298 C LYS A 23 7.054 9.081 4.065 1.00 0.00 C ATOM 299 O LYS A 23 7.072 10.310 3.986 1.00 0.00 O ATOM 300 CB LYS A 23 7.703 7.283 5.678 1.00 0.00 C ATOM 301 CG LYS A 23 7.392 6.504 6.945 1.00 0.00 C ATOM 302 CD LYS A 23 7.580 7.361 8.186 1.00 0.00 C ATOM 303 CE LYS A 23 9.034 7.384 8.632 1.00 0.00 C ATOM 304 NZ LYS A 23 9.191 7.999 9.979 1.00 0.00 N ATOM 0 H LYS A 23 5.288 6.902 4.897 1.00 0.00 H new ATOM 0 HA LYS A 23 6.712 9.124 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.739 6.592 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.694 7.727 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.366 6.139 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.040 5.629 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.245 8.378 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.957 6.976 8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.425 6.367 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.628 7.941 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.196 7.996 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.842 8.978 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.645 7.453 10.676 1.00 0.00 H new ATOM 318 N THR A 24 7.343 8.286 3.040 1.00 0.00 N ATOM 319 CA THR A 24 7.708 8.824 1.735 1.00 0.00 C ATOM 320 C THR A 24 7.739 7.727 0.677 1.00 0.00 C ATOM 321 O THR A 24 8.054 6.573 0.973 1.00 0.00 O ATOM 322 CB THR A 24 9.082 9.519 1.778 1.00 0.00 C ATOM 323 OG1 THR A 24 9.943 8.846 2.704 1.00 0.00 O ATOM 324 CG2 THR A 24 8.938 10.979 2.181 1.00 0.00 C ATOM 0 H THR A 24 7.331 7.267 3.088 1.00 0.00 H new ATOM 0 HA THR A 24 6.946 9.558 1.472 1.00 0.00 H new ATOM 0 HB THR A 24 9.518 9.475 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.815 9.293 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.921 11.449 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.306 11.495 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.483 11.040 3.170 1.00 0.00 H new ATOM 332 N LEU A 25 7.411 8.092 -0.557 1.00 0.00 N ATOM 333 CA LEU A 25 7.402 7.138 -1.661 1.00 0.00 C ATOM 334 C LEU A 25 8.076 7.728 -2.895 1.00 0.00 C ATOM 335 O LEU A 25 7.409 8.221 -3.805 1.00 0.00 O ATOM 336 CB LEU A 25 5.967 6.729 -1.995 1.00 0.00 C ATOM 337 CG LEU A 25 5.249 5.879 -0.946 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.766 6.216 -0.910 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.455 4.398 -1.228 1.00 0.00 C ATOM 0 H LEU A 25 7.148 9.042 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 25 7.962 6.255 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.382 7.634 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.977 6.178 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 25 5.676 6.105 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.271 5.601 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.638 7.269 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.324 6.019 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.937 3.808 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.056 4.156 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.520 4.167 -1.202 1.00 0.00 H new ATOM 351 N THR A 26 9.404 7.671 -2.922 1.00 0.00 N ATOM 352 CA THR A 26 10.169 8.198 -4.045 1.00 0.00 C ATOM 353 C THR A 26 10.309 7.158 -5.151 1.00 0.00 C ATOM 354 O THR A 26 10.091 7.455 -6.326 1.00 0.00 O ATOM 355 CB THR A 26 11.573 8.653 -3.605 1.00 0.00 C ATOM 356 OG1 THR A 26 12.252 7.579 -2.945 1.00 0.00 O ATOM 357 CG2 THR A 26 11.485 9.853 -2.673 1.00 0.00 C ATOM 0 H THR A 26 9.972 7.265 -2.178 1.00 0.00 H new ATOM 0 HA THR A 26 9.619 9.059 -4.425 1.00 0.00 H new ATOM 0 HB THR A 26 12.132 8.943 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.144 7.876 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.489 10.157 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.994 10.679 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.909 9.584 -1.787 1.00 0.00 H new ATOM 365 N GLN A 27 10.671 5.938 -4.768 1.00 0.00 N ATOM 366 CA GLN A 27 10.840 4.854 -5.729 1.00 0.00 C ATOM 367 C GLN A 27 9.524 4.543 -6.435 1.00 0.00 C ATOM 368 O GLN A 27 8.493 5.147 -6.142 1.00 0.00 O ATOM 369 CB GLN A 27 11.366 3.600 -5.029 1.00 0.00 C ATOM 370 CG GLN A 27 12.850 3.660 -4.708 1.00 0.00 C ATOM 371 CD GLN A 27 13.717 3.649 -5.951 1.00 0.00 C ATOM 372 OE1 GLN A 27 13.216 3.743 -7.072 1.00 0.00 O ATOM 373 NE2 GLN A 27 15.026 3.534 -5.760 1.00 0.00 N ATOM 0 H GLN A 27 10.853 5.675 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 27 11.566 5.175 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.809 3.449 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.174 2.733 -5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.057 4.563 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.116 2.812 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.399 3.459 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.659 3.521 -6.560 1.00 0.00 H new ATOM 382 N GLY A 28 9.567 3.596 -7.366 1.00 0.00 N ATOM 383 CA GLY A 28 8.372 3.221 -8.099 1.00 0.00 C ATOM 384 C GLY A 28 7.131 3.228 -7.228 1.00 0.00 C ATOM 385 O GLY A 28 6.083 3.730 -7.631 1.00 0.00 O ATOM 0 H GLY A 28 10.408 3.081 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.231 3.908 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.508 2.227 -8.525 1.00 0.00 H new ATOM 389 N GLY A 29 7.249 2.665 -6.029 1.00 0.00 N ATOM 390 CA GLY A 29 6.121 2.617 -5.118 1.00 0.00 C ATOM 391 C GLY A 29 4.905 1.956 -5.736 1.00 0.00 C ATOM 392 O GLY A 29 4.878 1.688 -6.937 1.00 0.00 O ATOM 0 H GLY A 29 8.106 2.241 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.408 2.074 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.863 3.630 -4.810 1.00 0.00 H new ATOM 396 N VAL A 30 3.895 1.691 -4.913 1.00 0.00 N ATOM 397 CA VAL A 30 2.670 1.057 -5.385 1.00 0.00 C ATOM 398 C VAL A 30 1.437 1.749 -4.815 1.00 0.00 C ATOM 399 O VAL A 30 1.546 2.651 -3.983 1.00 0.00 O ATOM 400 CB VAL A 30 2.629 -0.435 -5.006 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.684 -1.212 -5.779 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.819 -0.609 -3.507 1.00 0.00 C ATOM 0 H VAL A 30 3.901 1.906 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 30 2.664 1.149 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 30 1.650 -0.833 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.640 -2.264 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.497 -1.114 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.672 -0.815 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.787 -1.669 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.783 -0.195 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.023 -0.087 -2.976 1.00 0.00 H new ATOM 412 N THR A 31 0.262 1.321 -5.266 1.00 0.00 N ATOM 413 CA THR A 31 -0.992 1.899 -4.802 1.00 0.00 C ATOM 414 C THR A 31 -2.045 0.820 -4.579 1.00 0.00 C ATOM 415 O THR A 31 -2.350 0.040 -5.481 1.00 0.00 O ATOM 416 CB THR A 31 -1.538 2.934 -5.803 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.708 3.563 -5.269 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.873 2.276 -7.133 1.00 0.00 C ATOM 0 H THR A 31 0.153 0.575 -5.953 1.00 0.00 H new ATOM 0 HA THR A 31 -0.780 2.397 -3.856 1.00 0.00 H new ATOM 0 HB THR A 31 -0.767 3.686 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.048 4.221 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.257 3.027 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.974 1.823 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.628 1.506 -6.978 1.00 0.00 H new ATOM 426 N TYR A 32 -2.599 0.781 -3.372 1.00 0.00 N ATOM 427 CA TYR A 32 -3.618 -0.204 -3.029 1.00 0.00 C ATOM 428 C TYR A 32 -4.934 0.477 -2.666 1.00 0.00 C ATOM 429 O TYR A 32 -5.024 1.182 -1.661 1.00 0.00 O ATOM 430 CB TYR A 32 -3.143 -1.076 -1.865 1.00 0.00 C ATOM 431 CG TYR A 32 -4.230 -1.950 -1.281 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.684 -3.074 -1.959 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.805 -1.650 -0.052 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.677 -3.876 -1.430 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.797 -2.447 0.485 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.230 -3.558 -0.207 1.00 0.00 C ATOM 437 OH TYR A 32 -7.220 -4.353 0.324 1.00 0.00 O ATOM 0 H TYR A 32 -2.359 1.421 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.786 -0.835 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.324 -1.709 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.744 -0.434 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.253 -3.326 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.471 -0.779 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.018 -4.746 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.232 -2.201 1.443 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.666 -3.876 1.055 1.00 0.00 H new ATOM 447 N ARG A 33 -5.952 0.260 -3.492 1.00 0.00 N ATOM 448 CA ARG A 33 -7.264 0.852 -3.260 1.00 0.00 C ATOM 449 C ARG A 33 -7.214 2.368 -3.430 1.00 0.00 C ATOM 450 O ARG A 33 -7.644 3.116 -2.552 1.00 0.00 O ATOM 451 CB ARG A 33 -7.764 0.502 -1.857 1.00 0.00 C ATOM 452 CG ARG A 33 -7.827 -0.992 -1.589 1.00 0.00 C ATOM 453 CD ARG A 33 -8.736 -1.309 -0.412 1.00 0.00 C ATOM 454 NE ARG A 33 -8.201 -0.797 0.847 1.00 0.00 N ATOM 455 CZ ARG A 33 -8.954 -0.505 1.902 1.00 0.00 C ATOM 456 NH1 ARG A 33 -10.268 -0.675 1.849 1.00 0.00 N ATOM 457 NH2 ARG A 33 -8.393 -0.043 3.012 1.00 0.00 N ATOM 0 H ARG A 33 -5.894 -0.321 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.955 0.443 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.109 0.968 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.757 0.930 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.189 -1.507 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.824 -1.369 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.721 -0.878 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.869 -2.388 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.193 -0.656 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.702 -1.031 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.844 -0.450 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.382 0.088 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.972 0.181 3.821 1.00 0.00 H new ATOM 471 N ASP A 34 -6.686 2.813 -4.565 1.00 0.00 N ATOM 472 CA ASP A 34 -6.580 4.239 -4.851 1.00 0.00 C ATOM 473 C ASP A 34 -5.812 4.959 -3.747 1.00 0.00 C ATOM 474 O ASP A 34 -6.121 6.101 -3.407 1.00 0.00 O ATOM 475 CB ASP A 34 -7.971 4.855 -5.006 1.00 0.00 C ATOM 476 CG ASP A 34 -8.476 4.793 -6.434 1.00 0.00 C ATOM 477 OD1 ASP A 34 -8.457 3.692 -7.023 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.889 5.846 -6.964 1.00 0.00 O ATOM 0 H ASP A 34 -6.325 2.207 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.033 4.357 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.671 4.333 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.944 5.894 -4.678 1.00 0.00 H new ATOM 483 N GLN A 35 -4.811 4.283 -3.192 1.00 0.00 N ATOM 484 CA GLN A 35 -4.001 4.859 -2.125 1.00 0.00 C ATOM 485 C GLN A 35 -2.565 4.350 -2.198 1.00 0.00 C ATOM 486 O GLN A 35 -2.308 3.185 -2.503 1.00 0.00 O ATOM 487 CB GLN A 35 -4.604 4.523 -0.760 1.00 0.00 C ATOM 488 CG GLN A 35 -5.937 5.208 -0.499 1.00 0.00 C ATOM 489 CD GLN A 35 -6.273 5.287 0.977 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.988 6.287 1.637 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.883 4.232 1.504 1.00 0.00 N ATOM 0 H GLN A 35 -4.542 3.337 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.992 5.941 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.739 3.444 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.899 4.809 0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.912 6.215 -0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.727 4.667 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.100 3.424 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.134 4.229 2.493 1.00 0.00 H new ATOM 500 N PRO A 36 -1.605 5.243 -1.912 1.00 0.00 N ATOM 501 CA PRO A 36 -0.179 4.907 -1.938 1.00 0.00 C ATOM 502 C PRO A 36 0.218 3.971 -0.802 1.00 0.00 C ATOM 503 O PRO A 36 -0.071 4.238 0.365 1.00 0.00 O ATOM 504 CB PRO A 36 0.508 6.265 -1.776 1.00 0.00 C ATOM 505 CG PRO A 36 -0.490 7.112 -1.065 1.00 0.00 C ATOM 506 CD PRO A 36 -1.839 6.648 -1.540 1.00 0.00 C ATOM 0 HA PRO A 36 0.098 4.379 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.431 6.176 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.773 6.693 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.397 7.001 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.338 8.167 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.593 6.736 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.190 7.235 -2.389 1.00 0.00 H new ATOM 514 N TRP A 37 0.880 2.873 -1.150 1.00 0.00 N ATOM 515 CA TRP A 37 1.316 1.897 -0.157 1.00 0.00 C ATOM 516 C TRP A 37 2.780 1.524 -0.368 1.00 0.00 C ATOM 517 O TRP A 37 3.299 1.612 -1.481 1.00 0.00 O ATOM 518 CB TRP A 37 0.443 0.644 -0.227 1.00 0.00 C ATOM 519 CG TRP A 37 -0.836 0.768 0.545 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.899 1.572 0.245 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.186 0.068 1.743 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.888 1.414 1.186 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.475 0.496 2.115 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.536 -0.881 2.538 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.124 0.008 3.247 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.181 -1.363 3.661 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.464 -0.919 4.006 1.00 0.00 C ATOM 0 H TRP A 37 1.126 2.636 -2.111 1.00 0.00 H new ATOM 0 HA TRP A 37 1.213 2.348 0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.210 0.430 -1.270 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.009 -0.206 0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.954 2.234 -0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.784 1.901 1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.452 -1.231 2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.113 0.349 3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.687 -2.095 4.283 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.942 -1.317 4.889 1.00 0.00 H new ATOM 538 N HIS A 38 3.440 1.108 0.708 1.00 0.00 N ATOM 539 CA HIS A 38 4.845 0.721 0.640 1.00 0.00 C ATOM 540 C HIS A 38 4.993 -0.692 0.084 1.00 0.00 C ATOM 541 O HIS A 38 4.500 -1.656 0.671 1.00 0.00 O ATOM 542 CB HIS A 38 5.487 0.805 2.026 1.00 0.00 C ATOM 543 CG HIS A 38 6.085 2.144 2.328 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.038 2.725 3.577 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.749 3.017 1.534 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.645 3.898 3.539 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.086 4.098 2.310 1.00 0.00 N ATOM 0 H HIS A 38 3.025 1.030 1.637 1.00 0.00 H new ATOM 0 HA HIS A 38 5.354 1.412 -0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.735 0.573 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.263 0.043 2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.972 2.887 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.761 4.577 4.371 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.595 4.922 1.990 1.00 0.00 H new ATOM 555 N ARG A 39 5.673 -0.808 -1.052 1.00 0.00 N ATOM 556 CA ARG A 39 5.883 -2.102 -1.688 1.00 0.00 C ATOM 557 C ARG A 39 6.160 -3.182 -0.646 1.00 0.00 C ATOM 558 O ARG A 39 5.775 -4.338 -0.819 1.00 0.00 O ATOM 559 CB ARG A 39 7.047 -2.024 -2.679 1.00 0.00 C ATOM 560 CG ARG A 39 6.614 -1.724 -4.104 1.00 0.00 C ATOM 561 CD ARG A 39 7.715 -2.049 -5.101 1.00 0.00 C ATOM 562 NE ARG A 39 8.103 -3.457 -5.049 1.00 0.00 N ATOM 563 CZ ARG A 39 9.121 -3.964 -5.735 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.850 -3.184 -6.521 1.00 0.00 N ATOM 565 NH2 ARG A 39 9.412 -5.255 -5.634 1.00 0.00 N ATOM 0 H ARG A 39 6.088 -0.021 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 39 4.973 -2.366 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.743 -1.252 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.590 -2.969 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.722 -2.303 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.344 -0.672 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.377 -1.803 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.585 -1.425 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 39 7.563 -4.084 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.630 -2.191 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.631 -3.577 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.854 -5.858 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.194 -5.644 -6.161 1.00 0.00 H new ATOM 579 N GLU A 40 6.830 -2.796 0.435 1.00 0.00 N ATOM 580 CA GLU A 40 7.159 -3.732 1.504 1.00 0.00 C ATOM 581 C GLU A 40 5.961 -3.950 2.424 1.00 0.00 C ATOM 582 O GLU A 40 5.677 -5.075 2.836 1.00 0.00 O ATOM 583 CB GLU A 40 8.351 -3.217 2.314 1.00 0.00 C ATOM 584 CG GLU A 40 8.078 -1.908 3.034 1.00 0.00 C ATOM 585 CD GLU A 40 9.274 -1.417 3.827 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.369 -1.302 3.239 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.113 -1.148 5.036 1.00 0.00 O ATOM 0 H GLU A 40 7.155 -1.842 0.594 1.00 0.00 H new ATOM 0 HA GLU A 40 7.424 -4.686 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.635 -3.972 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.203 -3.084 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.794 -1.149 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.230 -2.038 3.706 1.00 0.00 H new ATOM 594 N CYS A 41 5.262 -2.866 2.742 1.00 0.00 N ATOM 595 CA CYS A 41 4.096 -2.936 3.614 1.00 0.00 C ATOM 596 C CYS A 41 2.964 -3.711 2.946 1.00 0.00 C ATOM 597 O CYS A 41 2.405 -4.641 3.529 1.00 0.00 O ATOM 598 CB CYS A 41 3.620 -1.528 3.978 1.00 0.00 C ATOM 599 SG CYS A 41 4.726 -0.641 5.121 1.00 0.00 S ATOM 0 H CYS A 41 5.483 -1.928 2.408 1.00 0.00 H new ATOM 0 HA CYS A 41 4.385 -3.461 4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.516 -0.944 3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.629 -1.596 4.428 1.00 0.00 H new ATOM 604 N LEU A 42 2.631 -3.322 1.721 1.00 0.00 N ATOM 605 CA LEU A 42 1.565 -3.980 0.972 1.00 0.00 C ATOM 606 C LEU A 42 1.758 -5.493 0.967 1.00 0.00 C ATOM 607 O LEU A 42 2.470 -6.036 0.122 1.00 0.00 O ATOM 608 CB LEU A 42 1.525 -3.455 -0.464 1.00 0.00 C ATOM 609 CG LEU A 42 0.428 -4.033 -1.359 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.947 -3.684 -0.811 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.581 -3.524 -2.785 1.00 0.00 C ATOM 0 H LEU A 42 3.083 -2.554 1.224 1.00 0.00 H new ATOM 0 HA LEU A 42 0.617 -3.754 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.406 -2.372 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.490 -3.655 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 42 0.527 -5.118 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.715 -4.104 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.055 -4.097 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.058 -2.600 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.208 -3.945 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.508 -2.436 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.553 -3.825 -3.177 1.00 0.00 H new ATOM 623 N VAL A 43 1.117 -6.169 1.915 1.00 0.00 N ATOM 624 CA VAL A 43 1.215 -7.620 2.018 1.00 0.00 C ATOM 625 C VAL A 43 -0.125 -8.235 2.409 1.00 0.00 C ATOM 626 O VAL A 43 -0.970 -7.576 3.015 1.00 0.00 O ATOM 627 CB VAL A 43 2.279 -8.039 3.049 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.648 -7.510 2.649 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.896 -7.552 4.438 1.00 0.00 C ATOM 0 H VAL A 43 0.524 -5.735 2.623 1.00 0.00 H new ATOM 0 HA VAL A 43 1.508 -7.988 1.035 1.00 0.00 H new ATOM 0 HB VAL A 43 2.329 -9.128 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.387 -7.816 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.923 -7.913 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.616 -6.422 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.659 -7.857 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.817 -6.465 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.937 -7.984 4.724 1.00 0.00 H new ATOM 639 N CYS A 44 -0.312 -9.503 2.057 1.00 0.00 N ATOM 640 CA CYS A 44 -1.549 -10.209 2.370 1.00 0.00 C ATOM 641 C CYS A 44 -1.872 -10.107 3.858 1.00 0.00 C ATOM 642 O CYS A 44 -0.973 -10.023 4.696 1.00 0.00 O ATOM 643 CB CYS A 44 -1.440 -11.678 1.960 1.00 0.00 C ATOM 644 SG CYS A 44 -2.952 -12.649 2.261 1.00 0.00 S ATOM 0 H CYS A 44 0.377 -10.063 1.555 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.357 -9.741 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.192 -11.731 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.613 -12.135 2.504 1.00 0.00 H new ATOM 649 N THR A 45 -3.161 -10.116 4.181 1.00 0.00 N ATOM 650 CA THR A 45 -3.603 -10.024 5.566 1.00 0.00 C ATOM 651 C THR A 45 -3.808 -11.408 6.171 1.00 0.00 C ATOM 652 O THR A 45 -4.512 -11.563 7.168 1.00 0.00 O ATOM 653 CB THR A 45 -4.915 -9.225 5.686 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.859 -8.064 4.850 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.164 -8.807 7.127 1.00 0.00 C ATOM 0 H THR A 45 -3.918 -10.186 3.501 1.00 0.00 H new ATOM 0 HA THR A 45 -2.818 -9.503 6.114 1.00 0.00 H new ATOM 0 HB THR A 45 -5.736 -9.865 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.895 -8.336 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.096 -8.244 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.235 -9.694 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.340 -8.182 7.472 1.00 0.00 H new ATOM 663 N GLY A 46 -3.189 -12.414 5.560 1.00 0.00 N ATOM 664 CA GLY A 46 -3.316 -13.773 6.053 1.00 0.00 C ATOM 665 C GLY A 46 -1.986 -14.500 6.098 1.00 0.00 C ATOM 666 O GLY A 46 -1.629 -15.095 7.115 1.00 0.00 O ATOM 0 H GLY A 46 -2.602 -12.312 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.751 -13.755 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.007 -14.325 5.415 1.00 0.00 H new ATOM 670 N CYS A 47 -1.251 -14.454 4.992 1.00 0.00 N ATOM 671 CA CYS A 47 0.046 -15.115 4.907 1.00 0.00 C ATOM 672 C CYS A 47 1.181 -14.098 4.991 1.00 0.00 C ATOM 673 O CYS A 47 2.345 -14.466 5.144 1.00 0.00 O ATOM 674 CB CYS A 47 0.152 -15.909 3.604 1.00 0.00 C ATOM 675 SG CYS A 47 -0.078 -14.906 2.101 1.00 0.00 S ATOM 0 H CYS A 47 -1.532 -13.966 4.142 1.00 0.00 H new ATOM 0 HA CYS A 47 0.133 -15.800 5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.130 -16.388 3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.593 -16.705 3.614 1.00 0.00 H new ATOM 680 N GLN A 48 0.832 -12.820 4.889 1.00 0.00 N ATOM 681 CA GLN A 48 1.821 -11.751 4.953 1.00 0.00 C ATOM 682 C GLN A 48 2.783 -11.829 3.772 1.00 0.00 C ATOM 683 O GLN A 48 4.001 -11.761 3.943 1.00 0.00 O ATOM 684 CB GLN A 48 2.601 -11.827 6.267 1.00 0.00 C ATOM 685 CG GLN A 48 1.724 -11.702 7.502 1.00 0.00 C ATOM 686 CD GLN A 48 0.852 -10.462 7.476 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.347 -9.338 7.563 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.456 -10.661 7.356 1.00 0.00 N ATOM 0 H GLN A 48 -0.128 -12.500 4.762 1.00 0.00 H new ATOM 0 HA GLN A 48 1.293 -10.798 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.138 -12.775 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.350 -11.035 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.091 -12.585 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.355 -11.679 8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.823 -11.610 7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.093 -9.865 7.333 1.00 0.00 H new ATOM 697 N THR A 49 2.229 -11.972 2.572 1.00 0.00 N ATOM 698 CA THR A 49 3.037 -12.060 1.362 1.00 0.00 C ATOM 699 C THR A 49 3.005 -10.751 0.582 1.00 0.00 C ATOM 700 O THR A 49 1.973 -10.087 0.479 1.00 0.00 O ATOM 701 CB THR A 49 2.555 -13.201 0.447 1.00 0.00 C ATOM 702 OG1 THR A 49 3.514 -13.435 -0.591 1.00 0.00 O ATOM 703 CG2 THR A 49 1.205 -12.868 -0.169 1.00 0.00 C ATOM 0 H THR A 49 1.223 -12.029 2.412 1.00 0.00 H new ATOM 0 HA THR A 49 4.059 -12.265 1.679 1.00 0.00 H new ATOM 0 HB THR A 49 2.448 -14.101 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.244 -13.988 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.886 -13.689 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.471 -12.720 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.290 -11.957 -0.761 1.00 0.00 H new ATOM 711 N PRO A 50 4.160 -10.368 0.019 1.00 0.00 N ATOM 712 CA PRO A 50 4.289 -9.135 -0.763 1.00 0.00 C ATOM 713 C PRO A 50 3.552 -9.213 -2.096 1.00 0.00 C ATOM 714 O PRO A 50 3.992 -9.897 -3.021 1.00 0.00 O ATOM 715 CB PRO A 50 5.798 -9.017 -0.993 1.00 0.00 C ATOM 716 CG PRO A 50 6.305 -10.416 -0.905 1.00 0.00 C ATOM 717 CD PRO A 50 5.429 -11.111 0.101 1.00 0.00 C ATOM 0 HA PRO A 50 3.854 -8.279 -0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.017 -8.577 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.264 -8.379 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.254 -10.911 -1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.349 -10.434 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.294 -12.165 -0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.856 -11.068 1.103 1.00 0.00 H new ATOM 725 N LEU A 51 2.429 -8.510 -2.187 1.00 0.00 N ATOM 726 CA LEU A 51 1.630 -8.499 -3.407 1.00 0.00 C ATOM 727 C LEU A 51 2.106 -7.409 -4.361 1.00 0.00 C ATOM 728 O LEU A 51 1.408 -7.050 -5.309 1.00 0.00 O ATOM 729 CB LEU A 51 0.152 -8.289 -3.071 1.00 0.00 C ATOM 730 CG LEU A 51 -0.412 -9.163 -1.951 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.524 -8.433 -1.213 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.919 -10.485 -2.510 1.00 0.00 C ATOM 0 H LEU A 51 2.051 -7.940 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 51 1.751 -9.464 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.007 -7.244 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.434 -8.466 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 51 0.389 -9.374 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.913 -9.071 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.131 -7.513 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.326 -8.191 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.317 -11.094 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.706 -10.294 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.098 -11.015 -2.993 1.00 0.00 H new ATOM 744 N ALA A 52 3.301 -6.887 -4.105 1.00 0.00 N ATOM 745 CA ALA A 52 3.874 -5.840 -4.943 1.00 0.00 C ATOM 746 C ALA A 52 3.703 -6.167 -6.422 1.00 0.00 C ATOM 747 O ALA A 52 4.480 -6.932 -6.992 1.00 0.00 O ATOM 748 CB ALA A 52 5.345 -5.643 -4.610 1.00 0.00 C ATOM 0 H ALA A 52 3.892 -7.172 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 52 3.340 -4.912 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.760 -4.859 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.446 -5.356 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.885 -6.573 -4.784 1.00 0.00 H new ATOM 754 N GLY A 53 2.681 -5.582 -7.039 1.00 0.00 N ATOM 755 CA GLY A 53 2.427 -5.825 -8.447 1.00 0.00 C ATOM 756 C GLY A 53 2.035 -7.262 -8.726 1.00 0.00 C ATOM 757 O GLY A 53 2.425 -7.831 -9.745 1.00 0.00 O ATOM 0 H GLY A 53 2.024 -4.944 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.632 -5.162 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.319 -5.577 -9.022 1.00 0.00 H new ATOM 761 N GLN A 54 1.262 -7.850 -7.818 1.00 0.00 N ATOM 762 CA GLN A 54 0.820 -9.231 -7.972 1.00 0.00 C ATOM 763 C GLN A 54 -0.697 -9.303 -8.116 1.00 0.00 C ATOM 764 O GLN A 54 -1.411 -8.378 -7.731 1.00 0.00 O ATOM 765 CB GLN A 54 1.270 -10.069 -6.774 1.00 0.00 C ATOM 766 CG GLN A 54 0.709 -11.482 -6.775 1.00 0.00 C ATOM 767 CD GLN A 54 1.502 -12.425 -5.891 1.00 0.00 C ATOM 768 OE1 GLN A 54 0.957 -13.042 -4.975 1.00 0.00 O ATOM 769 NE2 GLN A 54 2.797 -12.542 -6.162 1.00 0.00 N ATOM 0 H GLN A 54 0.929 -7.392 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 54 1.273 -9.633 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.359 -10.119 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.966 -9.567 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.327 -11.458 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.702 -11.866 -7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.207 -12.012 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.381 -13.162 -5.601 1.00 0.00 H new ATOM 778 N GLN A 55 -1.181 -10.408 -8.674 1.00 0.00 N ATOM 779 CA GLN A 55 -2.613 -10.600 -8.871 1.00 0.00 C ATOM 780 C GLN A 55 -3.298 -10.967 -7.558 1.00 0.00 C ATOM 781 O GLN A 55 -3.157 -12.086 -7.065 1.00 0.00 O ATOM 782 CB GLN A 55 -2.865 -11.690 -9.914 1.00 0.00 C ATOM 783 CG GLN A 55 -2.232 -13.027 -9.562 1.00 0.00 C ATOM 784 CD GLN A 55 -1.872 -13.842 -10.788 1.00 0.00 C ATOM 785 OE1 GLN A 55 -1.366 -13.310 -11.776 1.00 0.00 O ATOM 786 NE2 GLN A 55 -2.131 -15.144 -10.730 1.00 0.00 N ATOM 0 H GLN A 55 -0.603 -11.184 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.034 -9.661 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.940 -11.826 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.478 -11.356 -10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.334 -12.855 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.921 -13.598 -8.940 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.551 -15.543 -9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.909 -15.744 -11.525 1.00 0.00 H new ATOM 795 N PHE A 56 -4.040 -10.018 -6.998 1.00 0.00 N ATOM 796 CA PHE A 56 -4.746 -10.241 -5.741 1.00 0.00 C ATOM 797 C PHE A 56 -6.058 -9.463 -5.709 1.00 0.00 C ATOM 798 O PHE A 56 -6.388 -8.739 -6.649 1.00 0.00 O ATOM 799 CB PHE A 56 -3.867 -9.830 -4.558 1.00 0.00 C ATOM 800 CG PHE A 56 -3.557 -8.361 -4.523 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.432 -7.469 -3.926 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.390 -7.873 -5.088 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.149 -6.116 -3.893 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.101 -6.521 -5.058 1.00 0.00 C ATOM 805 CZ PHE A 56 -2.982 -5.642 -4.459 1.00 0.00 C ATOM 0 H PHE A 56 -4.168 -9.087 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.973 -11.304 -5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.366 -10.110 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.932 -10.389 -4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.346 -7.834 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.698 -8.556 -5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.840 -5.431 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.188 -6.153 -5.502 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.759 -4.586 -4.433 1.00 0.00 H new ATOM 815 N THR A 57 -6.805 -9.618 -4.620 1.00 0.00 N ATOM 816 CA THR A 57 -8.081 -8.933 -4.465 1.00 0.00 C ATOM 817 C THR A 57 -8.267 -8.432 -3.037 1.00 0.00 C ATOM 818 O THR A 57 -7.735 -9.014 -2.092 1.00 0.00 O ATOM 819 CB THR A 57 -9.261 -9.853 -4.832 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.498 -9.150 -4.672 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.265 -11.101 -3.962 1.00 0.00 C ATOM 0 H THR A 57 -6.547 -10.213 -3.832 1.00 0.00 H new ATOM 0 HA THR A 57 -8.067 -8.082 -5.146 1.00 0.00 H new ATOM 0 HB THR A 57 -9.147 -10.155 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.243 -9.741 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.107 -11.735 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.334 -11.649 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.357 -10.814 -2.914 1.00 0.00 H new ATOM 829 N SER A 58 -9.025 -7.351 -2.888 1.00 0.00 N ATOM 830 CA SER A 58 -9.278 -6.770 -1.574 1.00 0.00 C ATOM 831 C SER A 58 -10.593 -7.286 -0.997 1.00 0.00 C ATOM 832 O SER A 58 -11.565 -7.489 -1.724 1.00 0.00 O ATOM 833 CB SER A 58 -9.311 -5.244 -1.666 1.00 0.00 C ATOM 834 OG SER A 58 -10.295 -4.810 -2.590 1.00 0.00 O ATOM 0 H SER A 58 -9.475 -6.859 -3.660 1.00 0.00 H new ATOM 0 HA SER A 58 -8.468 -7.069 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.519 -4.822 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.332 -4.874 -1.971 1.00 0.00 H new ATOM 0 HG SER A 58 -10.297 -3.831 -2.629 1.00 0.00 H new ATOM 840 N ARG A 59 -10.614 -7.494 0.316 1.00 0.00 N ATOM 841 CA ARG A 59 -11.808 -7.987 0.992 1.00 0.00 C ATOM 842 C ARG A 59 -11.995 -7.293 2.338 1.00 0.00 C ATOM 843 O ARG A 59 -11.059 -7.194 3.132 1.00 0.00 O ATOM 844 CB ARG A 59 -11.718 -9.500 1.194 1.00 0.00 C ATOM 845 CG ARG A 59 -13.072 -10.180 1.319 1.00 0.00 C ATOM 846 CD ARG A 59 -13.742 -10.341 -0.036 1.00 0.00 C ATOM 847 NE ARG A 59 -15.073 -10.930 0.078 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.169 -10.225 0.334 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.093 -8.912 0.501 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.345 -10.833 0.423 1.00 0.00 N ATOM 0 H ARG A 59 -9.818 -7.329 0.932 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.670 -7.763 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.177 -9.938 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.134 -9.704 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.947 -11.158 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.715 -9.595 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.817 -9.368 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.121 -10.969 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.166 -11.938 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.191 -8.441 0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.937 -8.373 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.408 -11.843 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.186 -10.290 0.620 1.00 0.00 H new ATOM 864 N ASP A 60 -13.209 -6.815 2.588 1.00 0.00 N ATOM 865 CA ASP A 60 -13.520 -6.132 3.838 1.00 0.00 C ATOM 866 C ASP A 60 -12.466 -5.076 4.156 1.00 0.00 C ATOM 867 O ASP A 60 -12.074 -4.905 5.310 1.00 0.00 O ATOM 868 CB ASP A 60 -13.613 -7.139 4.985 1.00 0.00 C ATOM 869 CG ASP A 60 -14.953 -7.847 5.027 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.530 -8.087 3.946 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.424 -8.161 6.140 1.00 0.00 O ATOM 0 H ASP A 60 -13.994 -6.888 1.941 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.483 -5.635 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.818 -7.878 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.448 -6.624 5.931 1.00 0.00 H new ATOM 876 N GLU A 61 -12.012 -4.371 3.125 1.00 0.00 N ATOM 877 CA GLU A 61 -11.002 -3.333 3.295 1.00 0.00 C ATOM 878 C GLU A 61 -9.671 -3.936 3.738 1.00 0.00 C ATOM 879 O GLU A 61 -9.022 -3.429 4.653 1.00 0.00 O ATOM 880 CB GLU A 61 -11.471 -2.297 4.319 1.00 0.00 C ATOM 881 CG GLU A 61 -12.823 -1.686 3.991 1.00 0.00 C ATOM 882 CD GLU A 61 -12.959 -0.264 4.500 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.033 0.541 4.264 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.989 0.044 5.134 1.00 0.00 O ATOM 0 H GLU A 61 -12.327 -4.499 2.164 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.857 -2.842 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.523 -2.767 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.729 -1.502 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.970 -1.697 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.611 -2.301 4.426 1.00 0.00 H new ATOM 891 N ASP A 62 -9.273 -5.020 3.083 1.00 0.00 N ATOM 892 CA ASP A 62 -8.021 -5.693 3.407 1.00 0.00 C ATOM 893 C ASP A 62 -7.486 -6.458 2.201 1.00 0.00 C ATOM 894 O ASP A 62 -8.187 -7.260 1.583 1.00 0.00 O ATOM 895 CB ASP A 62 -8.220 -6.648 4.585 1.00 0.00 C ATOM 896 CG ASP A 62 -8.426 -5.916 5.896 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.419 -5.576 6.551 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.595 -5.681 6.267 1.00 0.00 O ATOM 0 H ASP A 62 -9.800 -5.452 2.324 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.291 -4.933 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.082 -7.286 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.352 -7.301 4.670 1.00 0.00 H new ATOM 903 N PRO A 63 -6.215 -6.206 1.855 1.00 0.00 N ATOM 904 CA PRO A 63 -5.558 -6.860 0.720 1.00 0.00 C ATOM 905 C PRO A 63 -5.298 -8.341 0.975 1.00 0.00 C ATOM 906 O PRO A 63 -4.523 -8.701 1.862 1.00 0.00 O ATOM 907 CB PRO A 63 -4.237 -6.100 0.588 1.00 0.00 C ATOM 908 CG PRO A 63 -3.973 -5.560 1.951 1.00 0.00 C ATOM 909 CD PRO A 63 -5.321 -5.262 2.547 1.00 0.00 C ATOM 0 HA PRO A 63 -6.174 -6.831 -0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.432 -6.758 0.260 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.313 -5.299 -0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.429 -6.283 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.360 -4.660 1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.327 -5.419 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.617 -4.227 2.374 1.00 0.00 H new ATOM 917 N TYR A 64 -5.950 -9.195 0.194 1.00 0.00 N ATOM 918 CA TYR A 64 -5.789 -10.637 0.337 1.00 0.00 C ATOM 919 C TYR A 64 -5.330 -11.267 -0.974 1.00 0.00 C ATOM 920 O TYR A 64 -5.893 -10.999 -2.036 1.00 0.00 O ATOM 921 CB TYR A 64 -7.104 -11.274 0.790 1.00 0.00 C ATOM 922 CG TYR A 64 -7.376 -11.116 2.268 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.733 -11.917 3.203 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.277 -10.164 2.731 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.979 -11.776 4.555 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.529 -10.015 4.081 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.878 -10.823 4.989 1.00 0.00 C ATOM 928 OH TYR A 64 -8.125 -10.679 6.335 1.00 0.00 O ATOM 0 H TYR A 64 -6.595 -8.914 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.025 -10.819 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.926 -10.829 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.087 -12.336 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.028 -12.663 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.789 -9.530 2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.471 -12.408 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.232 -9.270 4.423 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.781 -9.964 6.473 1.00 0.00 H new ATOM 938 N CYS A 65 -4.304 -12.107 -0.892 1.00 0.00 N ATOM 939 CA CYS A 65 -3.768 -12.777 -2.070 1.00 0.00 C ATOM 940 C CYS A 65 -4.697 -13.898 -2.529 1.00 0.00 C ATOM 941 O CYS A 65 -5.371 -14.532 -1.718 1.00 0.00 O ATOM 942 CB CYS A 65 -2.378 -13.343 -1.772 1.00 0.00 C ATOM 943 SG CYS A 65 -2.397 -14.967 -0.947 1.00 0.00 S ATOM 0 H CYS A 65 -3.827 -12.340 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.691 -12.042 -2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.824 -13.429 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.836 -12.635 -1.145 1.00 0.00 H new ATOM 948 N VAL A 66 -4.727 -14.135 -3.837 1.00 0.00 N ATOM 949 CA VAL A 66 -5.572 -15.179 -4.405 1.00 0.00 C ATOM 950 C VAL A 66 -5.507 -16.453 -3.570 1.00 0.00 C ATOM 951 O VAL A 66 -6.478 -17.204 -3.488 1.00 0.00 O ATOM 952 CB VAL A 66 -5.163 -15.506 -5.853 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.053 -16.599 -6.426 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.218 -14.255 -6.717 1.00 0.00 C ATOM 0 H VAL A 66 -4.176 -13.618 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.593 -14.797 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.136 -15.872 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.749 -16.816 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.958 -17.500 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.090 -16.264 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.926 -14.504 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.233 -13.857 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.535 -13.506 -6.317 1.00 0.00 H new ATOM 964 N ALA A 67 -4.355 -16.691 -2.952 1.00 0.00 N ATOM 965 CA ALA A 67 -4.163 -17.873 -2.121 1.00 0.00 C ATOM 966 C ALA A 67 -5.062 -17.830 -0.890 1.00 0.00 C ATOM 967 O ALA A 67 -5.638 -18.844 -0.494 1.00 0.00 O ATOM 968 CB ALA A 67 -2.704 -17.997 -1.708 1.00 0.00 C ATOM 0 H ALA A 67 -3.540 -16.080 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.438 -18.749 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.576 -18.884 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.080 -18.083 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.410 -17.113 -1.142 1.00 0.00 H new ATOM 974 N CYS A 68 -5.176 -16.652 -0.287 1.00 0.00 N ATOM 975 CA CYS A 68 -6.003 -16.476 0.900 1.00 0.00 C ATOM 976 C CYS A 68 -7.461 -16.237 0.517 1.00 0.00 C ATOM 977 O CYS A 68 -8.376 -16.726 1.179 1.00 0.00 O ATOM 978 CB CYS A 68 -5.486 -15.306 1.739 1.00 0.00 C ATOM 979 SG CYS A 68 -3.963 -15.673 2.669 1.00 0.00 S ATOM 0 H CYS A 68 -4.705 -15.804 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.946 -17.390 1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.302 -14.456 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.264 -15.005 2.441 1.00 0.00 H new ATOM 984 N PHE A 69 -7.669 -15.482 -0.556 1.00 0.00 N ATOM 985 CA PHE A 69 -9.014 -15.177 -1.028 1.00 0.00 C ATOM 986 C PHE A 69 -9.807 -16.458 -1.276 1.00 0.00 C ATOM 987 O PHE A 69 -10.964 -16.572 -0.875 1.00 0.00 O ATOM 988 CB PHE A 69 -8.952 -14.346 -2.311 1.00 0.00 C ATOM 989 CG PHE A 69 -10.299 -14.082 -2.920 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.191 -13.214 -2.312 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.674 -14.703 -4.101 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.432 -12.968 -2.871 1.00 0.00 C ATOM 993 CE2 PHE A 69 -11.912 -14.461 -4.664 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.793 -13.594 -4.048 1.00 0.00 C ATOM 0 H PHE A 69 -6.922 -15.070 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.521 -14.600 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.467 -13.394 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.328 -14.863 -3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.914 -12.723 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.991 -15.384 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.118 -12.288 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.191 -14.950 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.762 -13.406 -4.486 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.173 -17.419 -1.942 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.833 -18.678 -2.234 1.00 0.00 C ATOM 1006 C GLY A 70 -9.544 -19.739 -1.192 1.00 0.00 C ATOM 1007 O GLY A 70 -9.572 -20.933 -1.489 1.00 0.00 O ATOM 0 H GLY A 70 -8.215 -17.348 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.909 -18.515 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.510 -19.036 -3.212 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.263 -19.304 0.032 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.964 -20.227 1.121 1.00 0.00 C ATOM 1013 C GLU A 71 -9.711 -19.830 2.391 1.00 0.00 C ATOM 1014 O GLU A 71 -10.203 -20.686 3.128 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.459 -20.261 1.392 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.082 -21.047 2.636 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.013 -22.541 2.384 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.840 -23.047 1.597 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.133 -23.203 2.973 1.00 0.00 O ATOM 0 H GLU A 71 -9.236 -18.319 0.295 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.294 -21.221 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.953 -20.696 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.094 -19.239 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.116 -20.699 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.811 -20.848 3.422 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.792 -18.528 2.640 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.479 -18.016 3.822 1.00 0.00 C ATOM 1028 C LEU A 72 -11.960 -17.792 3.536 1.00 0.00 C ATOM 1029 O LEU A 72 -12.817 -18.519 4.037 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.833 -16.709 4.285 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.518 -16.846 5.052 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.411 -17.336 4.132 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.134 -15.519 5.692 1.00 0.00 C ATOM 0 H LEU A 72 -9.391 -17.807 2.040 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.390 -18.759 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.656 -16.084 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.546 -16.179 4.917 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.656 -17.583 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.483 -17.427 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.683 -18.308 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.272 -16.624 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.195 -15.635 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.014 -14.762 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.917 -15.209 6.384 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.254 -16.781 2.724 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.632 -16.461 2.370 1.00 0.00 C ATOM 1047 C PHE A 73 -14.298 -17.636 1.659 1.00 0.00 C ATOM 1048 O PHE A 73 -15.449 -17.971 1.935 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.677 -15.219 1.478 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.723 -14.140 1.906 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -12.916 -13.459 3.097 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.635 -13.806 1.116 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.041 -12.465 3.492 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -10.756 -12.813 1.506 1.00 0.00 C ATOM 1055 CZ PHE A 73 -10.958 -12.143 2.697 1.00 0.00 C ATOM 0 H PHE A 73 -11.557 -16.170 2.299 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.179 -16.258 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.449 -15.509 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.691 -14.818 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.760 -13.708 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.472 -14.328 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.204 -11.940 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.912 -12.561 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.271 -11.369 3.006 1.00 0.00 H new ATOM 1065 N ALA A 74 -13.564 -18.257 0.741 1.00 0.00 N ATOM 1066 CA ALA A 74 -14.081 -19.394 -0.009 1.00 0.00 C ATOM 1067 C ALA A 74 -13.526 -20.707 0.533 1.00 0.00 C ATOM 1068 O ALA A 74 -12.471 -21.171 0.101 1.00 0.00 O ATOM 1069 CB ALA A 74 -13.748 -19.248 -1.486 1.00 0.00 C ATOM 0 H ALA A 74 -12.609 -17.991 0.499 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.165 -19.412 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.140 -20.105 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.198 -18.333 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.666 -19.201 -1.612 1.00 0.00 H new ATOM 1075 N SER A 75 -14.244 -21.301 1.481 1.00 0.00 N ATOM 1076 CA SER A 75 -13.820 -22.559 2.086 1.00 0.00 C ATOM 1077 C SER A 75 -14.644 -23.724 1.547 1.00 0.00 C ATOM 1078 O SER A 75 -14.097 -24.745 1.130 1.00 0.00 O ATOM 1079 CB SER A 75 -13.952 -22.487 3.608 1.00 0.00 C ATOM 1080 OG SER A 75 -13.039 -21.552 4.156 1.00 0.00 O ATOM 0 H SER A 75 -15.122 -20.932 1.847 1.00 0.00 H new ATOM 0 HA SER A 75 -12.774 -22.725 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.970 -22.205 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.771 -23.472 4.039 1.00 0.00 H new ATOM 0 HG SER A 75 -13.310 -20.644 3.905 1.00 0.00 H new ATOM 1086 N GLY A 76 -15.964 -23.564 1.558 1.00 0.00 N ATOM 1087 CA GLY A 76 -16.842 -24.610 1.068 1.00 0.00 C ATOM 1088 C GLY A 76 -17.792 -24.115 -0.004 1.00 0.00 C ATOM 1089 O GLY A 76 -17.539 -23.113 -0.673 1.00 0.00 O ATOM 0 H GLY A 76 -16.441 -22.729 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.241 -25.426 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.418 -25.016 1.900 1.00 0.00 H new ATOM 1093 N PRO A 77 -18.915 -24.827 -0.180 1.00 0.00 N ATOM 1094 CA PRO A 77 -19.929 -24.473 -1.178 1.00 0.00 C ATOM 1095 C PRO A 77 -20.679 -23.196 -0.815 1.00 0.00 C ATOM 1096 O PRO A 77 -20.683 -22.775 0.341 1.00 0.00 O ATOM 1097 CB PRO A 77 -20.878 -25.674 -1.161 1.00 0.00 C ATOM 1098 CG PRO A 77 -20.717 -26.265 0.197 1.00 0.00 C ATOM 1099 CD PRO A 77 -19.282 -26.032 0.582 1.00 0.00 C ATOM 0 HA PRO A 77 -19.488 -24.275 -2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -21.908 -25.367 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -20.621 -26.393 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -21.394 -25.794 0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -20.951 -27.329 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.174 -25.877 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -18.652 -26.882 0.318 1.00 0.00 H new ATOM 1107 N SER A 78 -21.313 -22.584 -1.811 1.00 0.00 N ATOM 1108 CA SER A 78 -22.064 -21.353 -1.596 1.00 0.00 C ATOM 1109 C SER A 78 -23.510 -21.658 -1.215 1.00 0.00 C ATOM 1110 O SER A 78 -24.249 -22.272 -1.984 1.00 0.00 O ATOM 1111 CB SER A 78 -22.029 -20.483 -2.855 1.00 0.00 C ATOM 1112 OG SER A 78 -20.862 -19.680 -2.887 1.00 0.00 O ATOM 0 H SER A 78 -21.321 -22.921 -2.774 1.00 0.00 H new ATOM 0 HA SER A 78 -21.597 -20.810 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 78 -22.062 -21.118 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 78 -22.913 -19.846 -2.886 1.00 0.00 H new ATOM 0 HG SER A 78 -20.862 -19.135 -3.701 1.00 0.00 H new ATOM 1118 N SER A 79 -23.905 -21.223 -0.023 1.00 0.00 N ATOM 1119 CA SER A 79 -25.261 -21.453 0.463 1.00 0.00 C ATOM 1120 C SER A 79 -25.908 -20.143 0.904 1.00 0.00 C ATOM 1121 O SER A 79 -25.272 -19.308 1.545 1.00 0.00 O ATOM 1122 CB SER A 79 -25.247 -22.445 1.627 1.00 0.00 C ATOM 1123 OG SER A 79 -24.739 -23.704 1.218 1.00 0.00 O ATOM 0 H SER A 79 -23.306 -20.710 0.624 1.00 0.00 H new ATOM 0 HA SER A 79 -25.848 -21.872 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 79 -24.637 -22.049 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 79 -26.257 -22.566 2.018 1.00 0.00 H new ATOM 0 HG SER A 79 -24.739 -24.320 1.980 1.00 0.00 H new ATOM 1129 N GLY A 80 -27.179 -19.972 0.554 1.00 0.00 N ATOM 1130 CA GLY A 80 -27.893 -18.763 0.922 1.00 0.00 C ATOM 1131 C GLY A 80 -28.905 -18.345 -0.127 1.00 0.00 C ATOM 1132 O GLY A 80 -29.769 -19.147 -0.478 1.00 0.00 O ATOM 0 H GLY A 80 -27.727 -20.649 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -28.403 -18.921 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -27.178 -17.955 1.075 1.00 0.00 H new TER 1136 GLY A 80 HETATM 1137 ZN ZN A 201 4.535 1.676 5.087 1.00 0.00 ZN HETATM 1138 ZN ZN A 401 -2.284 -14.746 1.366 1.00 0.00 ZN