USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 386 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 LYS NZ :NH3+ -130:sc= -7.61! (180deg=-4.49!) USER MOD Set 1.2: A 44 ASN : amide:sc= -6.18! C(o=-14!,f=-8.6!) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 TYR OH : rot -158:sc= -0.666 USER MOD Set 3.2: A 11 TYR OH : rot 2:sc= -1.17 USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= -0.939 (180deg=-3!) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 0.156 (180deg=-0.966) USER MOD Single : A 10 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00261 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -2.47! (180deg=-2.97!) USER MOD Single : A 17 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 21 GLN : amide:sc= -3.86! C(o=-3.9!,f=-9.1!) USER MOD Single : A 23 ASN : amide:sc= -2.76! C(o=-2.8!,f=-9.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 0.877 (180deg=0.0135) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.96! K(o=-2!,f=-1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.79 USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 91.411 -14.498 -51.454 1.00 0.00 N ATOM 36 CA CYS A 4 91.669 -15.197 -50.201 1.00 0.00 C ATOM 37 C CYS A 4 90.505 -15.080 -49.223 1.00 0.00 C ATOM 38 O CYS A 4 90.348 -15.929 -48.346 1.00 0.00 O ATOM 39 CB CYS A 4 92.900 -14.602 -49.515 1.00 0.00 C ATOM 40 SG CYS A 4 94.298 -14.620 -50.665 1.00 0.00 S ATOM 0 HA CYS A 4 91.819 -16.246 -50.457 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.693 -13.581 -49.193 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.144 -15.175 -48.620 1.00 0.00 H new ATOM 45 N LYS A 5 89.709 -14.025 -49.360 1.00 0.00 N ATOM 46 CA LYS A 5 88.581 -13.809 -48.463 1.00 0.00 C ATOM 47 C LYS A 5 87.354 -14.573 -48.951 1.00 0.00 C ATOM 48 O LYS A 5 86.824 -14.292 -50.026 1.00 0.00 O ATOM 49 CB LYS A 5 88.257 -12.317 -48.379 1.00 0.00 C ATOM 50 CG LYS A 5 89.557 -11.510 -48.418 1.00 0.00 C ATOM 51 CD LYS A 5 90.455 -11.931 -47.252 1.00 0.00 C ATOM 52 CE LYS A 5 91.641 -10.971 -47.149 1.00 0.00 C ATOM 53 NZ LYS A 5 91.195 -9.698 -46.516 1.00 0.00 N ATOM 0 H LYS A 5 89.823 -13.311 -50.079 1.00 0.00 H new ATOM 0 HA LYS A 5 88.853 -14.176 -47.473 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.611 -12.027 -49.208 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.711 -12.104 -47.460 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.071 -11.675 -49.365 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.338 -10.444 -48.356 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.887 -11.926 -46.322 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.811 -12.950 -47.403 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.439 -11.423 -46.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.050 -10.773 -48.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.608 -8.892 -47.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.157 -9.637 -46.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.508 -9.675 -45.524 1.00 0.00 H new ATOM 67 N LYS A 6 86.908 -15.539 -48.155 1.00 0.00 N ATOM 68 CA LYS A 6 85.734 -16.328 -48.510 1.00 0.00 C ATOM 69 C LYS A 6 84.682 -16.249 -47.409 1.00 0.00 C ATOM 70 O LYS A 6 85.004 -16.315 -46.223 1.00 0.00 O ATOM 71 CB LYS A 6 86.135 -17.788 -48.733 1.00 0.00 C ATOM 72 CG LYS A 6 87.081 -17.881 -49.931 1.00 0.00 C ATOM 73 CD LYS A 6 87.324 -19.351 -50.277 1.00 0.00 C ATOM 74 CE LYS A 6 88.426 -19.453 -51.334 1.00 0.00 C ATOM 75 NZ LYS A 6 89.665 -18.800 -50.823 1.00 0.00 N ATOM 0 H LYS A 6 87.338 -15.793 -47.266 1.00 0.00 H new ATOM 0 HA LYS A 6 85.311 -15.923 -49.429 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.621 -18.183 -47.841 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.248 -18.397 -48.909 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.652 -17.361 -50.788 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.026 -17.390 -49.700 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.612 -19.903 -49.382 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.405 -19.804 -50.650 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.624 -20.499 -51.569 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.104 -18.974 -52.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.490 -19.172 -51.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.601 -17.772 -50.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.769 -18.999 -49.808 1.00 0.00 H new ATOM 89 N VAL A 7 83.422 -16.105 -47.809 1.00 0.00 N ATOM 90 CA VAL A 7 82.333 -15.995 -46.845 1.00 0.00 C ATOM 91 C VAL A 7 81.456 -17.243 -46.881 1.00 0.00 C ATOM 92 O VAL A 7 80.975 -17.645 -47.941 1.00 0.00 O ATOM 93 CB VAL A 7 81.483 -14.762 -47.155 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.818 -14.929 -48.522 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.403 -14.606 -46.082 1.00 0.00 C ATOM 0 H VAL A 7 83.132 -16.062 -48.786 1.00 0.00 H new ATOM 0 HA VAL A 7 82.764 -15.897 -45.849 1.00 0.00 H new ATOM 0 HB VAL A 7 82.119 -13.877 -47.166 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.212 -14.050 -48.742 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.585 -15.042 -49.288 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.182 -15.814 -48.512 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.796 -13.728 -46.302 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.768 -15.492 -46.073 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.874 -14.487 -45.106 1.00 0.00 H new ATOM 105 N TYR A 8 81.249 -17.849 -45.717 1.00 0.00 N ATOM 106 CA TYR A 8 80.376 -19.012 -45.616 1.00 0.00 C ATOM 107 C TYR A 8 79.494 -18.913 -44.376 1.00 0.00 C ATOM 108 O TYR A 8 79.985 -18.958 -43.247 1.00 0.00 O ATOM 109 CB TYR A 8 81.215 -20.290 -45.550 1.00 0.00 C ATOM 110 CG TYR A 8 81.690 -20.511 -44.134 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.900 -19.951 -43.708 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.922 -21.276 -43.249 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.342 -20.157 -42.394 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.364 -21.482 -41.936 1.00 0.00 C ATOM 115 CZ TYR A 8 82.573 -20.922 -41.509 1.00 0.00 C ATOM 116 OH TYR A 8 83.009 -21.125 -40.215 1.00 0.00 O ATOM 0 H TYR A 8 81.671 -17.556 -44.836 1.00 0.00 H new ATOM 0 HA TYR A 8 79.738 -19.043 -46.499 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.624 -21.143 -45.883 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.069 -20.212 -46.223 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.493 -19.361 -44.391 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.988 -21.708 -43.578 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.276 -19.726 -42.064 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.772 -22.073 -41.253 1.00 0.00 H new ATOM 0 HH TYR A 8 82.581 -21.927 -39.848 1.00 0.00 H new ATOM 126 N GLU A 9 78.190 -18.777 -44.594 1.00 0.00 N ATOM 127 CA GLU A 9 77.256 -18.584 -43.491 1.00 0.00 C ATOM 128 C GLU A 9 77.151 -19.849 -42.645 1.00 0.00 C ATOM 129 O GLU A 9 77.829 -19.986 -41.627 1.00 0.00 O ATOM 130 CB GLU A 9 75.875 -18.214 -44.035 1.00 0.00 C ATOM 131 CG GLU A 9 76.001 -17.015 -44.975 1.00 0.00 C ATOM 132 CD GLU A 9 74.617 -16.546 -45.410 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.657 -17.234 -45.106 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.537 -15.504 -46.042 1.00 0.00 O ATOM 0 H GLU A 9 77.758 -18.797 -45.518 1.00 0.00 H new ATOM 0 HA GLU A 9 77.629 -17.774 -42.864 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.443 -19.062 -44.566 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.201 -17.975 -43.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.528 -16.203 -44.474 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.593 -17.288 -45.849 1.00 0.00 H new ATOM 141 N ASN A 10 76.293 -20.770 -43.072 1.00 0.00 N ATOM 142 CA ASN A 10 76.033 -21.976 -42.292 1.00 0.00 C ATOM 143 C ASN A 10 75.462 -21.610 -40.926 1.00 0.00 C ATOM 144 O ASN A 10 74.370 -22.045 -40.560 1.00 0.00 O ATOM 145 CB ASN A 10 77.325 -22.773 -42.111 1.00 0.00 C ATOM 146 CG ASN A 10 77.774 -23.349 -43.449 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.008 -23.353 -44.413 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.978 -23.837 -43.567 1.00 0.00 N ATOM 0 H ASN A 10 75.770 -20.706 -43.945 1.00 0.00 H new ATOM 0 HA ASN A 10 75.307 -22.586 -42.829 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.105 -22.130 -41.703 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.168 -23.578 -41.393 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.287 -24.223 -44.459 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.611 -23.833 -42.767 1.00 0.00 H new ATOM 155 N TYR A 11 76.209 -20.804 -40.180 1.00 0.00 N ATOM 156 CA TYR A 11 75.721 -20.282 -38.909 1.00 0.00 C ATOM 157 C TYR A 11 75.719 -18.756 -38.928 1.00 0.00 C ATOM 158 O TYR A 11 76.768 -18.121 -38.827 1.00 0.00 O ATOM 159 CB TYR A 11 76.604 -20.781 -37.763 1.00 0.00 C ATOM 160 CG TYR A 11 78.006 -20.248 -37.937 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.359 -19.013 -37.381 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.954 -20.991 -38.653 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.659 -18.520 -37.541 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.253 -20.497 -38.814 1.00 0.00 C ATOM 165 CZ TYR A 11 80.606 -19.261 -38.258 1.00 0.00 C ATOM 166 OH TYR A 11 81.888 -18.774 -38.416 1.00 0.00 O ATOM 0 H TYR A 11 77.149 -20.499 -40.431 1.00 0.00 H new ATOM 0 HA TYR A 11 74.701 -20.636 -38.757 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.196 -20.454 -36.807 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.617 -21.871 -37.748 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.628 -18.441 -36.829 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.682 -21.945 -39.080 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.932 -17.568 -37.111 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.984 -21.069 -39.367 1.00 0.00 H new ATOM 0 HH TYR A 11 81.975 -17.921 -37.942 1.00 0.00 H new ATOM 176 N PRO A 12 74.562 -18.169 -39.058 1.00 0.00 N ATOM 177 CA PRO A 12 74.409 -16.693 -39.159 1.00 0.00 C ATOM 178 C PRO A 12 75.198 -15.951 -38.082 1.00 0.00 C ATOM 179 O PRO A 12 75.907 -16.564 -37.285 1.00 0.00 O ATOM 180 CB PRO A 12 72.871 -16.449 -39.008 1.00 0.00 C ATOM 181 CG PRO A 12 72.262 -17.740 -39.456 1.00 0.00 C ATOM 182 CD PRO A 12 73.261 -18.854 -39.122 1.00 0.00 C ATOM 0 HA PRO A 12 74.803 -16.313 -40.102 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.602 -16.215 -37.978 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.536 -15.613 -39.622 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.311 -17.912 -38.951 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.055 -17.717 -40.526 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.018 -19.335 -38.175 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.258 -19.632 -39.885 1.00 0.00 H new ATOM 190 N VAL A 13 75.068 -14.629 -38.070 1.00 0.00 N ATOM 191 CA VAL A 13 75.801 -13.807 -37.114 1.00 0.00 C ATOM 192 C VAL A 13 75.647 -14.361 -35.701 1.00 0.00 C ATOM 193 O VAL A 13 76.333 -13.928 -34.776 1.00 0.00 O ATOM 194 CB VAL A 13 75.282 -12.369 -37.159 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.768 -12.379 -37.375 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.602 -11.669 -35.836 1.00 0.00 C ATOM 0 H VAL A 13 74.466 -14.106 -38.707 1.00 0.00 H new ATOM 0 HA VAL A 13 76.857 -13.822 -37.384 1.00 0.00 H new ATOM 0 HB VAL A 13 75.763 -11.836 -37.979 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.398 -11.354 -37.407 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.538 -12.877 -38.317 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.287 -12.913 -36.555 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.232 -10.644 -35.868 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.121 -12.203 -35.016 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.681 -11.661 -35.680 1.00 0.00 H new ATOM 206 N SER A 14 74.742 -15.321 -35.544 1.00 0.00 N ATOM 207 CA SER A 14 74.476 -15.899 -34.232 1.00 0.00 C ATOM 208 C SER A 14 75.778 -16.105 -33.464 1.00 0.00 C ATOM 209 O SER A 14 75.905 -15.685 -32.314 1.00 0.00 O ATOM 210 CB SER A 14 73.756 -17.239 -34.387 1.00 0.00 C ATOM 211 OG SER A 14 72.605 -17.060 -35.202 1.00 0.00 O ATOM 0 H SER A 14 74.184 -15.713 -36.303 1.00 0.00 H new ATOM 0 HA SER A 14 73.843 -15.209 -33.674 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.424 -17.974 -34.836 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.468 -17.626 -33.410 1.00 0.00 H new ATOM 0 HG SER A 14 72.141 -17.917 -35.306 1.00 0.00 H new ATOM 217 N LYS A 15 76.743 -16.752 -34.109 1.00 0.00 N ATOM 218 CA LYS A 15 78.028 -17.019 -33.472 1.00 0.00 C ATOM 219 C LYS A 15 78.950 -15.813 -33.606 1.00 0.00 C ATOM 220 O LYS A 15 79.699 -15.486 -32.685 1.00 0.00 O ATOM 221 CB LYS A 15 78.686 -18.241 -34.113 1.00 0.00 C ATOM 222 CG LYS A 15 77.730 -19.433 -34.046 1.00 0.00 C ATOM 223 CD LYS A 15 78.486 -20.715 -34.401 1.00 0.00 C ATOM 224 CE LYS A 15 77.588 -21.927 -34.141 1.00 0.00 C ATOM 225 NZ LYS A 15 76.169 -21.560 -34.411 1.00 0.00 N ATOM 0 H LYS A 15 76.662 -17.099 -35.065 1.00 0.00 H new ATOM 0 HA LYS A 15 77.855 -17.215 -32.414 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.943 -18.026 -35.150 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.616 -18.478 -33.597 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.304 -19.515 -33.046 1.00 0.00 H new ATOM 0 HG3 LYS A 15 76.899 -19.285 -34.736 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.790 -20.692 -35.447 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.396 -20.789 -33.806 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.888 -22.759 -34.779 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.699 -22.261 -33.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 75.608 -22.424 -34.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 75.788 -21.028 -33.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.119 -20.972 -35.267 1.00 0.00 H new ATOM 239 N CYS A 16 78.890 -15.155 -34.759 1.00 0.00 N ATOM 240 CA CYS A 16 79.760 -14.015 -35.023 1.00 0.00 C ATOM 241 C CYS A 16 79.677 -13.003 -33.884 1.00 0.00 C ATOM 242 O CYS A 16 80.399 -12.005 -33.873 1.00 0.00 O ATOM 243 CB CYS A 16 79.355 -13.341 -36.336 1.00 0.00 C ATOM 244 SG CYS A 16 80.396 -11.887 -36.614 1.00 0.00 S ATOM 0 H CYS A 16 78.253 -15.389 -35.520 1.00 0.00 H new ATOM 0 HA CYS A 16 80.786 -14.375 -35.101 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.461 -14.041 -37.165 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.306 -13.048 -36.298 1.00 0.00 H new ATOM 249 N GLN A 17 78.793 -13.266 -32.927 1.00 0.00 N ATOM 250 CA GLN A 17 78.635 -12.376 -31.782 1.00 0.00 C ATOM 251 C GLN A 17 79.967 -12.186 -31.065 1.00 0.00 C ATOM 252 O GLN A 17 80.174 -11.191 -30.372 1.00 0.00 O ATOM 253 CB GLN A 17 77.605 -12.954 -30.809 1.00 0.00 C ATOM 254 CG GLN A 17 76.230 -12.986 -31.478 1.00 0.00 C ATOM 255 CD GLN A 17 75.679 -11.569 -31.603 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.963 -10.716 -30.763 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.904 -11.267 -32.608 1.00 0.00 N ATOM 0 H GLN A 17 78.180 -14.081 -32.921 1.00 0.00 H new ATOM 0 HA GLN A 17 78.288 -11.407 -32.142 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.898 -13.960 -30.508 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.566 -12.349 -29.903 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.307 -13.444 -32.464 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.546 -13.601 -30.893 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.670 -11.976 -33.303 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.532 -10.322 -32.699 1.00 0.00 H new ATOM 266 N LEU A 18 80.867 -13.148 -31.239 1.00 0.00 N ATOM 267 CA LEU A 18 82.194 -13.058 -30.640 1.00 0.00 C ATOM 268 C LEU A 18 83.274 -13.187 -31.709 1.00 0.00 C ATOM 269 O LEU A 18 83.445 -14.249 -32.305 1.00 0.00 O ATOM 270 CB LEU A 18 82.373 -14.162 -29.596 1.00 0.00 C ATOM 271 CG LEU A 18 81.276 -14.048 -28.537 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.984 -15.431 -27.953 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.744 -13.113 -27.420 1.00 0.00 C ATOM 0 H LEU A 18 80.704 -13.993 -31.786 1.00 0.00 H new ATOM 0 HA LEU A 18 82.289 -12.085 -30.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.330 -15.140 -30.075 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.354 -14.079 -29.128 1.00 0.00 H new ATOM 0 HG LEU A 18 80.370 -13.648 -28.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.202 -15.349 -27.198 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.653 -16.099 -28.748 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.889 -15.831 -27.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.963 -13.030 -26.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.649 -13.515 -26.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.953 -12.127 -27.835 1.00 0.00 H new ATOM 285 N ALA A 19 84.000 -12.099 -31.946 1.00 0.00 N ATOM 286 CA ALA A 19 85.038 -12.096 -32.969 1.00 0.00 C ATOM 287 C ALA A 19 85.940 -13.316 -32.819 1.00 0.00 C ATOM 288 O ALA A 19 86.720 -13.638 -33.716 1.00 0.00 O ATOM 289 CB ALA A 19 85.877 -10.821 -32.860 1.00 0.00 C ATOM 0 H ALA A 19 83.890 -11.216 -31.448 1.00 0.00 H new ATOM 0 HA ALA A 19 84.558 -12.131 -33.947 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.650 -10.827 -33.628 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.236 -9.951 -32.998 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.344 -10.776 -31.876 1.00 0.00 H new ATOM 295 N ASN A 20 85.829 -13.992 -31.680 1.00 0.00 N ATOM 296 CA ASN A 20 86.651 -15.166 -31.415 1.00 0.00 C ATOM 297 C ASN A 20 85.995 -16.420 -31.986 1.00 0.00 C ATOM 298 O ASN A 20 86.672 -17.403 -32.290 1.00 0.00 O ATOM 299 CB ASN A 20 86.852 -15.336 -29.907 1.00 0.00 C ATOM 300 CG ASN A 20 87.352 -14.030 -29.299 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.192 -13.351 -29.888 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.883 -13.637 -28.146 1.00 0.00 N ATOM 0 H ASN A 20 85.182 -13.749 -30.930 1.00 0.00 H new ATOM 0 HA ASN A 20 87.618 -15.023 -31.896 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.913 -15.630 -29.437 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.569 -16.135 -29.715 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.213 -12.765 -27.732 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.187 -14.202 -27.659 1.00 0.00 H new ATOM 309 N GLN A 21 84.674 -16.379 -32.130 1.00 0.00 N ATOM 310 CA GLN A 21 83.933 -17.532 -32.626 1.00 0.00 C ATOM 311 C GLN A 21 84.224 -17.758 -34.106 1.00 0.00 C ATOM 312 O GLN A 21 84.517 -18.877 -34.527 1.00 0.00 O ATOM 313 CB GLN A 21 82.432 -17.315 -32.426 1.00 0.00 C ATOM 314 CG GLN A 21 81.779 -18.631 -31.998 1.00 0.00 C ATOM 315 CD GLN A 21 81.902 -19.662 -33.116 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.858 -19.308 -34.294 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.051 -20.922 -32.815 1.00 0.00 N ATOM 0 H GLN A 21 84.099 -15.566 -31.912 1.00 0.00 H new ATOM 0 HA GLN A 21 84.249 -18.412 -32.066 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.262 -16.549 -31.669 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.979 -16.956 -33.350 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.256 -19.006 -31.092 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.729 -18.465 -31.759 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.087 -21.212 -31.838 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.131 -21.617 -33.557 1.00 0.00 H new ATOM 326 N CYS A 22 84.140 -16.689 -34.891 1.00 0.00 N ATOM 327 CA CYS A 22 84.381 -16.787 -36.326 1.00 0.00 C ATOM 328 C CYS A 22 85.687 -17.524 -36.601 1.00 0.00 C ATOM 329 O CYS A 22 85.695 -18.573 -37.246 1.00 0.00 O ATOM 330 CB CYS A 22 84.443 -15.387 -36.942 1.00 0.00 C ATOM 331 SG CYS A 22 82.769 -14.714 -37.084 1.00 0.00 S ATOM 0 H CYS A 22 83.909 -15.752 -34.561 1.00 0.00 H new ATOM 0 HA CYS A 22 83.560 -17.346 -36.776 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.058 -14.733 -36.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.913 -15.431 -37.924 1.00 0.00 H new ATOM 336 N ASN A 23 86.789 -16.970 -36.107 1.00 0.00 N ATOM 337 CA ASN A 23 88.097 -17.584 -36.306 1.00 0.00 C ATOM 338 C ASN A 23 88.032 -19.084 -36.034 1.00 0.00 C ATOM 339 O ASN A 23 88.492 -19.891 -36.841 1.00 0.00 O ATOM 340 CB ASN A 23 89.124 -16.940 -35.373 1.00 0.00 C ATOM 341 CG ASN A 23 88.751 -15.484 -35.115 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.997 -14.890 -35.884 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.239 -14.871 -34.071 1.00 0.00 N ATOM 0 H ASN A 23 86.803 -16.103 -35.570 1.00 0.00 H new ATOM 0 HA ASN A 23 88.397 -17.426 -37.342 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.165 -17.486 -34.431 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.118 -16.997 -35.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.995 -13.897 -33.891 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.864 -15.366 -33.435 1.00 0.00 H new ATOM 350 N TYR A 24 87.458 -19.449 -34.893 1.00 0.00 N ATOM 351 CA TYR A 24 87.321 -20.856 -34.533 1.00 0.00 C ATOM 352 C TYR A 24 86.623 -21.629 -35.647 1.00 0.00 C ATOM 353 O TYR A 24 87.177 -22.581 -36.196 1.00 0.00 O ATOM 354 CB TYR A 24 86.521 -20.988 -33.236 1.00 0.00 C ATOM 355 CG TYR A 24 87.466 -20.993 -32.059 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.313 -19.902 -31.835 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.496 -22.092 -31.191 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.189 -19.907 -30.744 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.373 -22.097 -30.099 1.00 0.00 C ATOM 360 CZ TYR A 24 89.220 -21.004 -29.876 1.00 0.00 C ATOM 361 OH TYR A 24 90.084 -21.010 -28.800 1.00 0.00 O ATOM 0 H TYR A 24 87.082 -18.796 -34.206 1.00 0.00 H new ATOM 0 HA TYR A 24 88.317 -21.273 -34.388 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.816 -20.162 -33.146 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.935 -21.907 -33.250 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.291 -19.055 -32.505 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.843 -22.935 -31.364 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.841 -19.064 -30.572 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.396 -22.944 -29.429 1.00 0.00 H new ATOM 0 HH TYR A 24 89.977 -21.845 -28.299 1.00 0.00 H new ATOM 371 N ASP A 25 85.403 -21.215 -35.974 1.00 0.00 N ATOM 372 CA ASP A 25 84.642 -21.870 -37.032 1.00 0.00 C ATOM 373 C ASP A 25 85.351 -21.722 -38.374 1.00 0.00 C ATOM 374 O ASP A 25 85.446 -22.677 -39.146 1.00 0.00 O ATOM 375 CB ASP A 25 83.242 -21.261 -37.123 1.00 0.00 C ATOM 376 CG ASP A 25 82.447 -21.590 -35.863 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.959 -22.331 -35.041 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.339 -21.095 -35.740 1.00 0.00 O ATOM 0 H ASP A 25 84.923 -20.435 -35.525 1.00 0.00 H new ATOM 0 HA ASP A 25 84.562 -22.930 -36.792 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.314 -20.180 -37.246 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.725 -21.648 -38.001 1.00 0.00 H new ATOM 383 N CYS A 26 85.846 -20.519 -38.647 1.00 0.00 N ATOM 384 CA CYS A 26 86.539 -20.256 -39.904 1.00 0.00 C ATOM 385 C CYS A 26 87.802 -21.105 -40.008 1.00 0.00 C ATOM 386 O CYS A 26 88.205 -21.503 -41.101 1.00 0.00 O ATOM 387 CB CYS A 26 86.907 -18.774 -39.996 1.00 0.00 C ATOM 388 SG CYS A 26 86.225 -18.076 -41.519 1.00 0.00 S ATOM 0 H CYS A 26 85.781 -19.717 -38.021 1.00 0.00 H new ATOM 0 HA CYS A 26 85.873 -20.516 -40.727 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.517 -18.237 -39.131 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.991 -18.656 -39.983 1.00 0.00 H new ATOM 393 N LYS A 27 88.422 -21.379 -38.865 1.00 0.00 N ATOM 394 CA LYS A 27 89.641 -22.180 -38.843 1.00 0.00 C ATOM 395 C LYS A 27 89.306 -23.666 -38.898 1.00 0.00 C ATOM 396 O LYS A 27 90.015 -24.449 -39.530 1.00 0.00 O ATOM 397 CB LYS A 27 90.439 -21.880 -37.572 1.00 0.00 C ATOM 398 CG LYS A 27 91.080 -20.496 -37.686 1.00 0.00 C ATOM 399 CD LYS A 27 91.405 -19.967 -36.287 1.00 0.00 C ATOM 400 CE LYS A 27 92.159 -18.641 -36.405 1.00 0.00 C ATOM 401 NZ LYS A 27 93.577 -18.908 -36.776 1.00 0.00 N ATOM 0 H LYS A 27 88.104 -21.062 -37.949 1.00 0.00 H new ATOM 0 HA LYS A 27 90.240 -21.922 -39.717 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.784 -21.918 -36.701 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.209 -22.638 -37.426 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.989 -20.553 -38.285 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.403 -19.811 -38.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.486 -19.826 -35.718 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.009 -20.694 -35.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 91.688 -18.008 -37.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.115 -18.100 -35.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.931 -18.135 -37.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.155 -18.971 -35.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.636 -19.805 -37.299 1.00 0.00 H new ATOM 415 N LEU A 28 88.220 -24.048 -38.233 1.00 0.00 N ATOM 416 CA LEU A 28 87.816 -25.448 -38.190 1.00 0.00 C ATOM 417 C LEU A 28 87.003 -25.809 -39.429 1.00 0.00 C ATOM 418 O LEU A 28 86.943 -26.972 -39.827 1.00 0.00 O ATOM 419 CB LEU A 28 86.983 -25.712 -36.934 1.00 0.00 C ATOM 420 CG LEU A 28 87.801 -25.352 -35.693 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.859 -25.062 -34.524 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.716 -26.525 -35.331 1.00 0.00 C ATOM 0 H LEU A 28 87.608 -23.413 -37.720 1.00 0.00 H new ATOM 0 HA LEU A 28 88.714 -26.066 -38.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.067 -25.122 -36.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.686 -26.760 -36.895 1.00 0.00 H new ATOM 0 HG LEU A 28 88.404 -24.468 -35.899 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.444 -24.806 -33.641 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.206 -24.228 -34.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.255 -25.945 -34.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.300 -26.271 -34.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.111 -27.408 -35.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.389 -26.732 -36.163 1.00 0.00 H new ATOM 434 N ASP A 29 86.380 -24.804 -40.034 1.00 0.00 N ATOM 435 CA ASP A 29 85.516 -25.036 -41.186 1.00 0.00 C ATOM 436 C ASP A 29 86.320 -24.969 -42.480 1.00 0.00 C ATOM 437 O ASP A 29 86.394 -25.944 -43.228 1.00 0.00 O ATOM 438 CB ASP A 29 84.400 -23.990 -41.222 1.00 0.00 C ATOM 439 CG ASP A 29 83.501 -24.144 -40.001 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.773 -25.020 -39.195 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.552 -23.385 -39.887 1.00 0.00 O ATOM 0 H ASP A 29 86.456 -23.828 -39.749 1.00 0.00 H new ATOM 0 HA ASP A 29 85.079 -26.030 -41.094 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.830 -22.988 -41.243 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.813 -24.104 -42.133 1.00 0.00 H new ATOM 446 N LYS A 30 86.922 -23.812 -42.737 1.00 0.00 N ATOM 447 CA LYS A 30 87.649 -23.601 -43.983 1.00 0.00 C ATOM 448 C LYS A 30 89.137 -23.405 -43.707 1.00 0.00 C ATOM 449 O LYS A 30 89.935 -23.254 -44.632 1.00 0.00 O ATOM 450 CB LYS A 30 87.095 -22.372 -44.709 1.00 0.00 C ATOM 451 CG LYS A 30 85.569 -22.364 -44.610 1.00 0.00 C ATOM 452 CD LYS A 30 85.004 -23.590 -45.332 1.00 0.00 C ATOM 453 CE LYS A 30 83.484 -23.453 -45.458 1.00 0.00 C ATOM 454 NZ LYS A 30 82.943 -24.613 -46.222 1.00 0.00 N ATOM 0 H LYS A 30 86.921 -23.012 -42.104 1.00 0.00 H new ATOM 0 HA LYS A 30 87.521 -24.482 -44.612 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.503 -21.462 -44.269 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.402 -22.386 -45.755 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.262 -22.371 -43.564 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.170 -21.452 -45.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.455 -23.683 -46.320 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.254 -24.497 -44.781 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.029 -23.411 -44.469 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.233 -22.521 -45.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.911 -24.521 -46.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.369 -24.633 -47.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.171 -25.495 -45.721 1.00 0.00 H new ATOM 468 N HIS A 31 89.502 -23.409 -42.430 1.00 0.00 N ATOM 469 CA HIS A 31 90.898 -23.243 -42.042 1.00 0.00 C ATOM 470 C HIS A 31 91.393 -21.846 -42.404 1.00 0.00 C ATOM 471 O HIS A 31 92.286 -21.691 -43.237 1.00 0.00 O ATOM 472 CB HIS A 31 91.764 -24.290 -42.744 1.00 0.00 C ATOM 473 CG HIS A 31 91.050 -25.613 -42.746 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.186 -26.528 -41.715 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.191 -26.191 -43.648 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.426 -27.597 -42.017 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.798 -27.444 -43.186 1.00 0.00 N ATOM 0 H HIS A 31 88.855 -23.525 -41.650 1.00 0.00 H new ATOM 0 HA HIS A 31 90.973 -23.375 -40.963 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.974 -23.977 -43.767 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.724 -24.384 -42.236 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.869 -25.741 -44.576 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.335 -28.472 -41.390 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.167 -28.103 -43.642 1.00 0.00 H new ATOM 485 N ALA A 32 90.809 -20.834 -41.772 1.00 0.00 N ATOM 486 CA ALA A 32 91.204 -19.455 -42.032 1.00 0.00 C ATOM 487 C ALA A 32 92.314 -19.026 -41.079 1.00 0.00 C ATOM 488 O ALA A 32 92.948 -19.861 -40.432 1.00 0.00 O ATOM 489 CB ALA A 32 90.000 -18.525 -41.866 1.00 0.00 C ATOM 0 H ALA A 32 90.066 -20.941 -41.081 1.00 0.00 H new ATOM 0 HA ALA A 32 91.574 -19.391 -43.055 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.305 -17.497 -42.062 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.219 -18.812 -42.569 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.618 -18.602 -40.848 1.00 0.00 H new ATOM 495 N ARG A 33 92.546 -17.720 -40.997 1.00 0.00 N ATOM 496 CA ARG A 33 93.589 -17.192 -40.126 1.00 0.00 C ATOM 497 C ARG A 33 92.983 -16.328 -39.027 1.00 0.00 C ATOM 498 O ARG A 33 93.311 -16.482 -37.850 1.00 0.00 O ATOM 499 CB ARG A 33 94.580 -16.361 -40.943 1.00 0.00 C ATOM 500 CG ARG A 33 95.145 -17.212 -42.083 1.00 0.00 C ATOM 501 CD ARG A 33 95.959 -16.326 -43.026 1.00 0.00 C ATOM 502 NE ARG A 33 97.127 -15.793 -42.334 1.00 0.00 N ATOM 503 CZ ARG A 33 97.075 -14.629 -41.694 1.00 0.00 C ATOM 504 NH1 ARG A 33 95.965 -13.942 -41.678 1.00 0.00 N ATOM 505 NH2 ARG A 33 98.132 -14.174 -41.081 1.00 0.00 N ATOM 0 H ARG A 33 92.030 -17.012 -41.519 1.00 0.00 H new ATOM 0 HA ARG A 33 94.111 -18.031 -39.666 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.084 -15.478 -41.346 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.389 -16.008 -40.303 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.773 -18.007 -41.681 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.333 -17.693 -42.629 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.274 -16.902 -43.896 1.00 0.00 H new ATOM 0 HD3 ARG A 33 95.340 -15.507 -43.393 1.00 0.00 H new ATOM 0 HE ARG A 33 97.999 -16.322 -42.341 1.00 0.00 H new ATOM 0 HH11 ARG A 33 95.138 -14.298 -42.157 1.00 0.00 H new ATOM 0 HH12 ARG A 33 95.925 -13.049 -41.187 1.00 0.00 H new ATOM 0 HH21 ARG A 33 98.999 -14.711 -41.092 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.092 -13.281 -40.590 1.00 0.00 H new ATOM 519 N SER A 34 92.095 -15.418 -39.417 1.00 0.00 N ATOM 520 CA SER A 34 91.487 -14.500 -38.460 1.00 0.00 C ATOM 521 C SER A 34 89.965 -14.600 -38.515 1.00 0.00 C ATOM 522 O SER A 34 89.268 -14.052 -37.661 1.00 0.00 O ATOM 523 CB SER A 34 91.917 -13.066 -38.767 1.00 0.00 C ATOM 524 OG SER A 34 93.267 -12.883 -38.361 1.00 0.00 O ATOM 0 H SER A 34 91.783 -15.297 -40.380 1.00 0.00 H new ATOM 0 HA SER A 34 91.822 -14.773 -37.459 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.815 -12.864 -39.833 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.270 -12.361 -38.246 1.00 0.00 H new ATOM 0 HG SER A 34 93.546 -11.965 -38.558 1.00 0.00 H new ATOM 530 N GLY A 35 89.459 -15.302 -39.522 1.00 0.00 N ATOM 531 CA GLY A 35 88.018 -15.454 -39.685 1.00 0.00 C ATOM 532 C GLY A 35 87.287 -14.179 -39.278 1.00 0.00 C ATOM 533 O GLY A 35 86.563 -14.159 -38.283 1.00 0.00 O ATOM 0 H GLY A 35 90.020 -15.772 -40.233 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.789 -15.694 -40.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.666 -16.289 -39.080 1.00 0.00 H new ATOM 537 N GLU A 36 87.484 -13.117 -40.052 1.00 0.00 N ATOM 538 CA GLU A 36 86.871 -11.832 -39.738 1.00 0.00 C ATOM 539 C GLU A 36 85.447 -11.769 -40.281 1.00 0.00 C ATOM 540 O GLU A 36 85.150 -12.331 -41.336 1.00 0.00 O ATOM 541 CB GLU A 36 87.699 -10.696 -40.341 1.00 0.00 C ATOM 542 CG GLU A 36 88.814 -10.305 -39.369 1.00 0.00 C ATOM 543 CD GLU A 36 88.222 -9.601 -38.152 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.086 -9.168 -38.238 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.916 -9.507 -37.153 1.00 0.00 O ATOM 0 H GLU A 36 88.059 -13.120 -40.895 1.00 0.00 H new ATOM 0 HA GLU A 36 86.839 -11.723 -38.654 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.126 -11.009 -41.294 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.061 -9.836 -40.545 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.362 -11.193 -39.055 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.528 -9.649 -39.867 1.00 0.00 H new ATOM 552 N CYS A 37 84.572 -11.084 -39.554 1.00 0.00 N ATOM 553 CA CYS A 37 83.182 -10.950 -39.975 1.00 0.00 C ATOM 554 C CYS A 37 83.000 -9.703 -40.835 1.00 0.00 C ATOM 555 O CYS A 37 83.774 -8.750 -40.737 1.00 0.00 O ATOM 556 CB CYS A 37 82.207 -10.789 -38.773 1.00 0.00 C ATOM 557 SG CYS A 37 81.490 -12.364 -38.244 1.00 0.00 S ATOM 0 H CYS A 37 84.798 -10.616 -38.676 1.00 0.00 H new ATOM 0 HA CYS A 37 82.954 -11.864 -40.523 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.739 -10.337 -37.936 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.406 -10.104 -39.049 1.00 0.00 H new ATOM 562 N PHE A 38 81.972 -9.717 -41.677 1.00 0.00 N ATOM 563 CA PHE A 38 81.675 -8.567 -42.524 1.00 0.00 C ATOM 564 C PHE A 38 80.173 -8.446 -42.755 1.00 0.00 C ATOM 565 O PHE A 38 79.408 -9.351 -42.418 1.00 0.00 O ATOM 566 CB PHE A 38 82.390 -8.711 -43.869 1.00 0.00 C ATOM 567 CG PHE A 38 83.883 -8.640 -43.656 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.582 -9.773 -43.223 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.569 -7.443 -43.892 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.966 -9.709 -43.025 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.953 -7.378 -43.695 1.00 0.00 C ATOM 572 CZ PHE A 38 86.652 -8.511 -43.262 1.00 0.00 C ATOM 0 H PHE A 38 81.335 -10.505 -41.791 1.00 0.00 H new ATOM 0 HA PHE A 38 82.027 -7.667 -42.020 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.123 -9.660 -44.335 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.071 -7.921 -44.549 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.053 -10.697 -43.042 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.030 -6.569 -44.226 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.505 -10.583 -42.690 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.482 -6.454 -43.877 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.720 -8.461 -43.111 1.00 0.00 H new ATOM 582 N TYR A 39 79.755 -7.323 -43.331 1.00 0.00 N ATOM 583 CA TYR A 39 78.340 -7.094 -43.600 1.00 0.00 C ATOM 584 C TYR A 39 78.005 -7.452 -45.044 1.00 0.00 C ATOM 585 O TYR A 39 78.610 -6.930 -45.980 1.00 0.00 O ATOM 586 CB TYR A 39 77.990 -5.627 -43.341 1.00 0.00 C ATOM 587 CG TYR A 39 77.949 -5.376 -41.852 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.754 -5.554 -41.145 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.105 -4.964 -41.179 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.716 -5.322 -39.765 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.067 -4.732 -39.799 1.00 0.00 C ATOM 592 CZ TYR A 39 77.872 -4.910 -39.092 1.00 0.00 C ATOM 593 OH TYR A 39 77.834 -4.681 -37.732 1.00 0.00 O ATOM 0 H TYR A 39 80.371 -6.563 -43.619 1.00 0.00 H new ATOM 0 HA TYR A 39 77.755 -7.729 -42.935 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.729 -4.977 -43.810 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.025 -5.388 -43.788 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.861 -5.870 -41.664 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.027 -4.825 -41.725 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.794 -5.461 -39.219 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.960 -4.416 -39.280 1.00 0.00 H new ATOM 0 HH TYR A 39 78.721 -4.402 -37.422 1.00 0.00 H new ATOM 603 N ASP A 40 77.038 -8.347 -45.216 1.00 0.00 N ATOM 604 CA ASP A 40 76.626 -8.765 -46.552 1.00 0.00 C ATOM 605 C ASP A 40 75.323 -8.079 -46.951 1.00 0.00 C ATOM 606 O ASP A 40 74.977 -7.024 -46.418 1.00 0.00 O ATOM 607 CB ASP A 40 76.437 -10.282 -46.588 1.00 0.00 C ATOM 608 CG ASP A 40 77.769 -10.980 -46.333 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.736 -10.288 -46.060 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.803 -12.197 -46.415 1.00 0.00 O ATOM 0 H ASP A 40 76.528 -8.794 -44.454 1.00 0.00 H new ATOM 0 HA ASP A 40 77.405 -8.478 -47.258 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.709 -10.584 -45.835 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.038 -10.584 -47.556 1.00 0.00 H new ATOM 615 N GLU A 41 74.606 -8.684 -47.892 1.00 0.00 N ATOM 616 CA GLU A 41 73.346 -8.120 -48.360 1.00 0.00 C ATOM 617 C GLU A 41 72.303 -8.140 -47.247 1.00 0.00 C ATOM 618 O GLU A 41 71.351 -7.361 -47.261 1.00 0.00 O ATOM 619 CB GLU A 41 72.830 -8.917 -49.560 1.00 0.00 C ATOM 620 CG GLU A 41 73.834 -8.816 -50.711 1.00 0.00 C ATOM 621 CD GLU A 41 73.921 -7.376 -51.202 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.010 -6.617 -50.917 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.898 -7.053 -51.858 1.00 0.00 O ATOM 0 H GLU A 41 74.874 -9.559 -48.343 1.00 0.00 H new ATOM 0 HA GLU A 41 73.522 -7.087 -48.659 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.684 -9.961 -49.281 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.860 -8.533 -49.875 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.815 -9.156 -50.379 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.530 -9.470 -51.528 1.00 0.00 H new ATOM 630 N LYS A 42 72.490 -9.037 -46.284 1.00 0.00 N ATOM 631 CA LYS A 42 71.555 -9.154 -45.171 1.00 0.00 C ATOM 632 C LYS A 42 72.061 -8.372 -43.963 1.00 0.00 C ATOM 633 O LYS A 42 71.636 -8.615 -42.834 1.00 0.00 O ATOM 634 CB LYS A 42 71.378 -10.626 -44.791 1.00 0.00 C ATOM 635 CG LYS A 42 70.839 -11.403 -45.994 1.00 0.00 C ATOM 636 CD LYS A 42 70.891 -12.903 -45.698 1.00 0.00 C ATOM 637 CE LYS A 42 70.010 -13.215 -44.487 1.00 0.00 C ATOM 638 NZ LYS A 42 70.784 -12.978 -43.235 1.00 0.00 N ATOM 0 H LYS A 42 73.274 -9.689 -46.251 1.00 0.00 H new ATOM 0 HA LYS A 42 70.595 -8.741 -45.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.331 -11.047 -44.470 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.691 -10.715 -43.950 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.814 -11.099 -46.207 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.430 -11.176 -46.881 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.549 -13.468 -46.565 1.00 0.00 H new ATOM 0 HD3 LYS A 42 71.918 -13.211 -45.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 69.119 -12.587 -44.501 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.671 -14.250 -44.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 70.700 -13.807 -42.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 71.785 -12.821 -43.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 70.407 -12.140 -42.747 1.00 0.00 H new ATOM 652 N ARG A 43 72.970 -7.435 -44.209 1.00 0.00 N ATOM 653 CA ARG A 43 73.536 -6.632 -43.131 1.00 0.00 C ATOM 654 C ARG A 43 73.865 -7.509 -41.927 1.00 0.00 C ATOM 655 O ARG A 43 73.959 -7.023 -40.800 1.00 0.00 O ATOM 656 CB ARG A 43 72.546 -5.543 -42.715 1.00 0.00 C ATOM 657 CG ARG A 43 72.588 -4.399 -43.732 1.00 0.00 C ATOM 658 CD ARG A 43 71.336 -3.534 -43.580 1.00 0.00 C ATOM 659 NE ARG A 43 70.138 -4.343 -43.772 1.00 0.00 N ATOM 660 CZ ARG A 43 68.978 -3.784 -44.103 1.00 0.00 C ATOM 661 NH1 ARG A 43 68.898 -2.491 -44.259 1.00 0.00 N ATOM 662 NH2 ARG A 43 67.919 -4.528 -44.270 1.00 0.00 N ATOM 0 H ARG A 43 73.329 -7.214 -45.138 1.00 0.00 H new ATOM 0 HA ARG A 43 74.454 -6.169 -43.492 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.539 -5.955 -42.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.795 -5.170 -41.722 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.482 -3.794 -43.578 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.645 -4.800 -44.744 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.320 -3.076 -42.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.356 -2.722 -44.307 1.00 0.00 H new ATOM 0 HE ARG A 43 70.191 -5.354 -43.650 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.725 -1.909 -44.127 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.008 -2.062 -44.513 1.00 0.00 H new ATOM 0 HH21 ARG A 43 67.981 -5.539 -44.147 1.00 0.00 H new ATOM 0 HH22 ARG A 43 67.029 -4.099 -44.524 1.00 0.00 H new ATOM 676 N ASN A 44 74.040 -8.804 -42.175 1.00 0.00 N ATOM 677 CA ASN A 44 74.368 -9.738 -41.104 1.00 0.00 C ATOM 678 C ASN A 44 75.873 -9.981 -41.048 1.00 0.00 C ATOM 679 O ASN A 44 76.566 -9.881 -42.061 1.00 0.00 O ATOM 680 CB ASN A 44 73.643 -11.066 -41.329 1.00 0.00 C ATOM 681 CG ASN A 44 72.169 -10.924 -40.967 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.724 -9.840 -40.587 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.380 -11.958 -41.060 1.00 0.00 N ATOM 0 H ASN A 44 73.961 -9.227 -43.100 1.00 0.00 H new ATOM 0 HA ASN A 44 74.046 -9.304 -40.157 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.742 -11.372 -42.370 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.101 -11.847 -40.722 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.393 -11.870 -40.818 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.750 -12.855 -41.375 1.00 0.00 H new ATOM 690 N LEU A 45 76.373 -10.300 -39.859 1.00 0.00 N ATOM 691 CA LEU A 45 77.796 -10.569 -39.685 1.00 0.00 C ATOM 692 C LEU A 45 78.124 -12.002 -40.088 1.00 0.00 C ATOM 693 O LEU A 45 77.703 -12.955 -39.432 1.00 0.00 O ATOM 694 CB LEU A 45 78.196 -10.343 -38.226 1.00 0.00 C ATOM 695 CG LEU A 45 77.382 -9.185 -37.646 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.793 -8.950 -36.192 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.650 -7.918 -38.462 1.00 0.00 C ATOM 0 H LEU A 45 75.818 -10.378 -39.007 1.00 0.00 H new ATOM 0 HA LEU A 45 78.356 -9.887 -40.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.023 -11.249 -37.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.261 -10.121 -38.160 1.00 0.00 H new ATOM 0 HG LEU A 45 76.321 -9.429 -37.688 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.213 -8.125 -35.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.605 -9.853 -35.610 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.854 -8.705 -36.149 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.071 -7.091 -38.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.712 -7.675 -38.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.358 -8.085 -39.499 1.00 0.00 H new ATOM 709 N GLN A 46 78.878 -12.149 -41.172 1.00 0.00 N ATOM 710 CA GLN A 46 79.245 -13.472 -41.664 1.00 0.00 C ATOM 711 C GLN A 46 80.745 -13.703 -41.507 1.00 0.00 C ATOM 712 O GLN A 46 81.558 -12.954 -42.049 1.00 0.00 O ATOM 713 CB GLN A 46 78.857 -13.609 -43.137 1.00 0.00 C ATOM 714 CG GLN A 46 77.387 -13.224 -43.317 1.00 0.00 C ATOM 715 CD GLN A 46 76.490 -14.290 -42.698 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.979 -15.314 -42.220 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.197 -14.110 -42.678 1.00 0.00 N ATOM 0 H GLN A 46 79.245 -11.374 -41.724 1.00 0.00 H new ATOM 0 HA GLN A 46 78.709 -14.219 -41.078 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.489 -12.968 -43.751 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.019 -14.633 -43.473 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.195 -12.259 -42.849 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.158 -13.115 -44.377 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.794 -13.261 -43.075 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.590 -14.818 -42.266 1.00 0.00 H new ATOM 726 N CYS A 47 81.104 -14.745 -40.764 1.00 0.00 N ATOM 727 CA CYS A 47 82.509 -15.081 -40.566 1.00 0.00 C ATOM 728 C CYS A 47 83.184 -15.374 -41.901 1.00 0.00 C ATOM 729 O CYS A 47 82.881 -16.374 -42.554 1.00 0.00 O ATOM 730 CB CYS A 47 82.676 -16.309 -39.655 1.00 0.00 C ATOM 731 SG CYS A 47 81.751 -16.127 -38.109 1.00 0.00 S ATOM 0 H CYS A 47 80.447 -15.367 -40.293 1.00 0.00 H new ATOM 0 HA CYS A 47 82.977 -14.219 -40.090 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.335 -17.201 -40.180 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.733 -16.455 -39.432 1.00 0.00 H new ATOM 736 N ILE A 48 84.099 -14.498 -42.303 1.00 0.00 N ATOM 737 CA ILE A 48 84.800 -14.666 -43.571 1.00 0.00 C ATOM 738 C ILE A 48 86.206 -15.209 -43.339 1.00 0.00 C ATOM 739 O ILE A 48 87.023 -14.577 -42.669 1.00 0.00 O ATOM 740 CB ILE A 48 84.884 -13.325 -44.303 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.473 -12.860 -44.674 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.716 -13.490 -45.575 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.561 -11.762 -45.735 1.00 0.00 C ATOM 0 H ILE A 48 84.371 -13.670 -41.773 1.00 0.00 H new ATOM 0 HA ILE A 48 84.244 -15.379 -44.180 1.00 0.00 H new ATOM 0 HB ILE A 48 85.354 -12.585 -43.655 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.889 -13.700 -45.052 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.958 -12.486 -43.790 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.776 -12.535 -46.097 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.720 -13.824 -45.312 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.246 -14.229 -46.224 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.557 -11.430 -46.000 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.129 -10.920 -45.341 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.060 -12.152 -46.622 1.00 0.00 H new ATOM 755 N CYS A 49 86.481 -16.384 -43.895 1.00 0.00 N ATOM 756 CA CYS A 49 87.800 -16.992 -43.762 1.00 0.00 C ATOM 757 C CYS A 49 88.794 -16.323 -44.706 1.00 0.00 C ATOM 758 O CYS A 49 88.591 -16.298 -45.920 1.00 0.00 O ATOM 759 CB CYS A 49 87.718 -18.472 -44.120 1.00 0.00 C ATOM 760 SG CYS A 49 86.719 -19.420 -42.945 1.00 0.00 S ATOM 0 H CYS A 49 85.813 -16.931 -44.438 1.00 0.00 H new ATOM 0 HA CYS A 49 88.134 -16.867 -42.732 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.294 -18.577 -45.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.724 -18.890 -44.155 1.00 0.00 H new ATOM 765 N ASP A 50 89.868 -15.784 -44.140 1.00 0.00 N ATOM 766 CA ASP A 50 90.874 -15.091 -44.938 1.00 0.00 C ATOM 767 C ASP A 50 92.201 -15.840 -44.898 1.00 0.00 C ATOM 768 O ASP A 50 92.866 -15.889 -43.863 1.00 0.00 O ATOM 769 CB ASP A 50 91.072 -13.669 -44.409 1.00 0.00 C ATOM 770 CG ASP A 50 89.725 -13.056 -44.042 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.742 -13.417 -44.668 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.696 -12.235 -43.141 1.00 0.00 O ATOM 0 H ASP A 50 90.064 -15.813 -43.139 1.00 0.00 H new ATOM 0 HA ASP A 50 90.525 -15.050 -45.970 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.724 -13.685 -43.535 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.566 -13.057 -45.164 1.00 0.00 H new ATOM 777 N TYR A 51 92.579 -16.425 -46.029 1.00 0.00 N ATOM 778 CA TYR A 51 93.849 -17.134 -46.124 1.00 0.00 C ATOM 779 C TYR A 51 94.893 -16.272 -46.825 1.00 0.00 C ATOM 780 O TYR A 51 95.408 -16.639 -47.881 1.00 0.00 O ATOM 781 CB TYR A 51 93.659 -18.442 -46.896 1.00 0.00 C ATOM 782 CG TYR A 51 92.247 -18.939 -46.702 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.946 -19.795 -45.635 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.238 -18.544 -47.588 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.637 -20.256 -45.455 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.928 -19.005 -47.408 1.00 0.00 C ATOM 787 CZ TYR A 51 89.628 -19.861 -46.341 1.00 0.00 C ATOM 788 OH TYR A 51 88.336 -20.315 -46.163 1.00 0.00 O ATOM 0 H TYR A 51 92.028 -16.423 -46.887 1.00 0.00 H new ATOM 0 HA TYR A 51 94.198 -17.355 -45.115 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.858 -18.284 -47.956 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.371 -19.190 -46.546 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.724 -20.099 -44.951 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.470 -17.884 -48.411 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.405 -20.917 -44.633 1.00 0.00 H new ATOM 0 HE2 TYR A 51 89.149 -18.701 -48.092 1.00 0.00 H new ATOM 0 HH TYR A 51 87.760 -19.945 -46.864 1.00 0.00 H new ATOM 798 N CYS A 52 95.200 -15.123 -46.230 1.00 0.00 N ATOM 799 CA CYS A 52 96.167 -14.204 -46.819 1.00 0.00 C ATOM 800 C CYS A 52 96.477 -13.062 -45.856 1.00 0.00 C ATOM 801 O CYS A 52 96.128 -13.121 -44.677 1.00 0.00 O ATOM 802 CB CYS A 52 95.617 -13.634 -48.128 1.00 0.00 C ATOM 803 SG CYS A 52 95.918 -14.808 -49.472 1.00 0.00 S ATOM 0 H CYS A 52 94.797 -14.808 -45.348 1.00 0.00 H new ATOM 0 HA CYS A 52 97.086 -14.755 -47.020 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.549 -13.441 -48.032 1.00 0.00 H new ATOM 0 HB3 CYS A 52 96.095 -12.680 -48.351 1.00 0.00 H new ATOM 808 N GLU A 53 97.134 -12.026 -46.366 1.00 0.00 N ATOM 809 CA GLU A 53 97.467 -10.866 -45.545 1.00 0.00 C ATOM 810 C GLU A 53 96.588 -9.676 -45.918 1.00 0.00 C ATOM 811 O GLU A 53 97.050 -8.725 -46.548 1.00 0.00 O ATOM 812 CB GLU A 53 98.939 -10.497 -45.737 1.00 0.00 C ATOM 813 CG GLU A 53 99.822 -11.629 -45.211 1.00 0.00 C ATOM 814 CD GLU A 53 101.292 -11.243 -45.332 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.570 -10.231 -45.954 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.120 -11.964 -44.798 1.00 0.00 O ATOM 0 H GLU A 53 97.445 -11.965 -47.336 1.00 0.00 H new ATOM 0 HA GLU A 53 97.290 -11.120 -44.500 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.146 -10.321 -46.793 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.164 -9.570 -45.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.577 -11.838 -44.170 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.630 -12.543 -45.774 1.00 0.00 H new ATOM 823 N TYR A 54 95.320 -9.736 -45.523 1.00 0.00 N ATOM 824 CA TYR A 54 94.389 -8.651 -45.812 1.00 0.00 C ATOM 825 C TYR A 54 94.623 -8.105 -47.216 1.00 0.00 C ATOM 826 CB TYR A 54 94.563 -7.528 -44.789 1.00 0.00 C ATOM 827 CG TYR A 54 94.459 -8.096 -43.394 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.562 -8.738 -42.816 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.261 -7.982 -42.678 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.466 -9.265 -41.522 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.165 -8.509 -41.385 1.00 0.00 C ATOM 832 CZ TYR A 54 94.268 -9.150 -40.807 1.00 0.00 C ATOM 833 OH TYR A 54 94.174 -9.670 -39.532 1.00 0.00 O ATOM 0 H TYR A 54 94.916 -10.517 -45.006 1.00 0.00 H new ATOM 0 HA TYR A 54 93.373 -9.042 -45.752 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.530 -7.045 -44.925 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.801 -6.763 -44.939 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.486 -8.826 -43.368 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.411 -7.487 -43.124 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.316 -9.760 -41.076 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.241 -8.421 -40.833 1.00 0.00 H new ATOM 0 HH TYR A 54 93.276 -9.504 -39.177 1.00 0.00 H new