USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot 18:sc= -0.831 USER MOD Set 1.2: A 52 GLN : amide:sc=-0.00319 K(o=-0.83,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.0018 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 -150:sc= -0.17 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 16 ASN : amide:sc= 0.00897 K(o=0.009,f=-1.3) USER MOD Single : A 17 TYR OH : rot -149:sc= 0.261 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0353) USER MOD Single : A 20 GLN : amide:sc= -0.0363 K(o=-0.036,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.31) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 62:sc= 0.309 USER MOD Single : A 28 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -39:sc= 0.626 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 58 THR OG1 : rot 101:sc= -0.433 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.08 K(o=-1.1,f=-9!) USER MOD Single : A 64 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.07) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.169 -9.900 -22.318 1.00 0.00 N ATOM 2 CA GLY A 1 12.736 -10.096 -22.442 1.00 0.00 C ATOM 3 C GLY A 1 11.973 -9.568 -21.243 1.00 0.00 C ATOM 4 O GLY A 1 11.747 -8.364 -21.123 1.00 0.00 O ATOM 0 H1 GLY A 1 14.645 -10.277 -23.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.374 -8.884 -22.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.516 -10.398 -21.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.381 -9.597 -23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.527 -11.159 -22.563 1.00 0.00 H new ATOM 8 N SER A 2 11.572 -10.472 -20.354 1.00 0.00 N ATOM 9 CA SER A 2 10.825 -10.091 -19.162 1.00 0.00 C ATOM 10 C SER A 2 9.596 -9.265 -19.531 1.00 0.00 C ATOM 11 O SER A 2 9.189 -8.372 -18.788 1.00 0.00 O ATOM 12 CB SER A 2 11.718 -9.298 -18.206 1.00 0.00 C ATOM 13 OG SER A 2 11.254 -9.402 -16.870 1.00 0.00 O ATOM 0 H SER A 2 11.752 -11.472 -20.437 1.00 0.00 H new ATOM 0 HA SER A 2 10.493 -11.003 -18.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.742 -9.667 -18.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.738 -8.251 -18.507 1.00 0.00 H new ATOM 0 HG SER A 2 10.325 -9.093 -16.821 1.00 0.00 H new ATOM 19 N SER A 3 9.011 -9.571 -20.685 1.00 0.00 N ATOM 20 CA SER A 3 7.831 -8.855 -21.156 1.00 0.00 C ATOM 21 C SER A 3 6.617 -9.778 -21.199 1.00 0.00 C ATOM 22 O SER A 3 6.470 -10.587 -22.115 1.00 0.00 O ATOM 23 CB SER A 3 8.087 -8.265 -22.544 1.00 0.00 C ATOM 24 OG SER A 3 9.363 -7.653 -22.610 1.00 0.00 O ATOM 0 H SER A 3 9.335 -10.309 -21.310 1.00 0.00 H new ATOM 0 HA SER A 3 7.625 -8.044 -20.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.018 -9.052 -23.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.316 -7.531 -22.779 1.00 0.00 H new ATOM 0 HG SER A 3 9.503 -7.285 -23.507 1.00 0.00 H new ATOM 30 N GLY A 4 5.748 -9.650 -20.201 1.00 0.00 N ATOM 31 CA GLY A 4 4.558 -10.478 -20.143 1.00 0.00 C ATOM 32 C GLY A 4 3.715 -10.198 -18.915 1.00 0.00 C ATOM 33 O GLY A 4 4.129 -9.452 -18.027 1.00 0.00 O ATOM 0 H GLY A 4 5.847 -8.988 -19.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.958 -10.310 -21.037 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.850 -11.528 -20.148 1.00 0.00 H new ATOM 37 N SER A 5 2.529 -10.795 -18.863 1.00 0.00 N ATOM 38 CA SER A 5 1.624 -10.601 -17.737 1.00 0.00 C ATOM 39 C SER A 5 1.827 -11.685 -16.683 1.00 0.00 C ATOM 40 O SER A 5 1.859 -12.875 -16.998 1.00 0.00 O ATOM 41 CB SER A 5 0.171 -10.606 -18.216 1.00 0.00 C ATOM 42 OG SER A 5 -0.070 -9.546 -19.125 1.00 0.00 O ATOM 0 H SER A 5 2.172 -11.417 -19.588 1.00 0.00 H new ATOM 0 HA SER A 5 1.848 -9.634 -17.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.054 -11.559 -18.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.498 -10.514 -17.360 1.00 0.00 H new ATOM 0 HG SER A 5 -1.005 -9.572 -19.418 1.00 0.00 H new ATOM 48 N SER A 6 1.964 -11.265 -15.429 1.00 0.00 N ATOM 49 CA SER A 6 2.168 -12.199 -14.328 1.00 0.00 C ATOM 50 C SER A 6 0.838 -12.589 -13.692 1.00 0.00 C ATOM 51 O SER A 6 -0.155 -11.871 -13.813 1.00 0.00 O ATOM 52 CB SER A 6 3.090 -11.583 -13.273 1.00 0.00 C ATOM 53 OG SER A 6 2.505 -10.427 -12.698 1.00 0.00 O ATOM 0 H SER A 6 1.937 -10.284 -15.150 1.00 0.00 H new ATOM 0 HA SER A 6 2.636 -13.098 -14.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.297 -12.316 -12.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.046 -11.323 -13.728 1.00 0.00 H new ATOM 0 HG SER A 6 3.211 -9.805 -12.423 1.00 0.00 H new ATOM 59 N GLY A 7 0.825 -13.732 -13.014 1.00 0.00 N ATOM 60 CA GLY A 7 -0.388 -14.199 -12.368 1.00 0.00 C ATOM 61 C GLY A 7 -0.626 -13.530 -11.029 1.00 0.00 C ATOM 62 O GLY A 7 -0.472 -14.154 -9.979 1.00 0.00 O ATOM 0 H GLY A 7 1.633 -14.344 -12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.240 -14.010 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.328 -15.278 -12.226 1.00 0.00 H new ATOM 66 N LEU A 8 -1.002 -12.256 -11.064 1.00 0.00 N ATOM 67 CA LEU A 8 -1.261 -11.501 -9.843 1.00 0.00 C ATOM 68 C LEU A 8 -2.602 -10.779 -9.924 1.00 0.00 C ATOM 69 O LEU A 8 -3.140 -10.568 -11.010 1.00 0.00 O ATOM 70 CB LEU A 8 -0.139 -10.491 -9.598 1.00 0.00 C ATOM 71 CG LEU A 8 1.275 -11.066 -9.510 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.309 -9.953 -9.569 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.440 -11.882 -8.236 1.00 0.00 C ATOM 0 H LEU A 8 -1.134 -11.724 -11.924 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.297 -12.204 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.160 -9.753 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.352 -9.960 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 8 1.432 -11.725 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.309 -10.382 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.206 -9.410 -10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.154 -9.268 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.452 -12.284 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.263 -11.244 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.723 -12.703 -8.235 1.00 0.00 H new ATOM 85 N GLU A 9 -3.135 -10.401 -8.766 1.00 0.00 N ATOM 86 CA GLU A 9 -4.413 -9.701 -8.707 1.00 0.00 C ATOM 87 C GLU A 9 -4.213 -8.192 -8.816 1.00 0.00 C ATOM 88 O GLU A 9 -3.471 -7.597 -8.034 1.00 0.00 O ATOM 89 CB GLU A 9 -5.144 -10.037 -7.405 1.00 0.00 C ATOM 90 CG GLU A 9 -5.794 -11.410 -7.409 1.00 0.00 C ATOM 91 CD GLU A 9 -7.209 -11.384 -7.955 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.504 -10.509 -8.796 1.00 0.00 O ATOM 93 OE2 GLU A 9 -8.020 -12.239 -7.541 1.00 0.00 O ATOM 0 H GLU A 9 -2.702 -10.568 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.018 -10.031 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.438 -9.981 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.909 -9.283 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.190 -12.092 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.808 -11.804 -6.393 1.00 0.00 H new ATOM 100 N GLN A 10 -4.878 -7.581 -9.791 1.00 0.00 N ATOM 101 CA GLN A 10 -4.772 -6.143 -10.003 1.00 0.00 C ATOM 102 C GLN A 10 -5.901 -5.403 -9.293 1.00 0.00 C ATOM 103 O GLN A 10 -7.072 -5.555 -9.643 1.00 0.00 O ATOM 104 CB GLN A 10 -4.797 -5.823 -11.498 1.00 0.00 C ATOM 105 CG GLN A 10 -3.617 -6.400 -12.264 1.00 0.00 C ATOM 106 CD GLN A 10 -3.784 -6.286 -13.766 1.00 0.00 C ATOM 107 OE1 GLN A 10 -4.121 -7.259 -14.440 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.548 -5.093 -14.300 1.00 0.00 N ATOM 0 H GLN A 10 -5.496 -8.060 -10.446 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.823 -5.809 -9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.722 -6.208 -11.928 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.811 -4.741 -11.629 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.706 -5.883 -11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.492 -7.449 -11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.271 -4.313 -13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.644 -4.957 -15.306 1.00 0.00 H new ATOM 117 N TYR A 11 -5.543 -4.603 -8.296 1.00 0.00 N ATOM 118 CA TYR A 11 -6.527 -3.842 -7.535 1.00 0.00 C ATOM 119 C TYR A 11 -6.484 -2.364 -7.914 1.00 0.00 C ATOM 120 O TYR A 11 -5.526 -1.897 -8.530 1.00 0.00 O ATOM 121 CB TYR A 11 -6.278 -4.003 -6.034 1.00 0.00 C ATOM 122 CG TYR A 11 -7.016 -5.171 -5.420 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.740 -6.475 -5.811 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.988 -4.970 -4.448 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.413 -7.545 -5.253 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.664 -6.034 -3.883 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.373 -7.320 -4.289 1.00 0.00 C ATOM 128 OH TYR A 11 -9.044 -8.383 -3.730 1.00 0.00 O ATOM 0 H TYR A 11 -4.578 -4.464 -7.995 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.516 -4.232 -7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.209 -4.129 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.576 -3.087 -5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.987 -6.656 -6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.219 -3.965 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.188 -8.553 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.416 -5.860 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.686 -8.053 -3.067 1.00 0.00 H new ATOM 138 N VAL A 12 -7.529 -1.633 -7.539 1.00 0.00 N ATOM 139 CA VAL A 12 -7.611 -0.208 -7.836 1.00 0.00 C ATOM 140 C VAL A 12 -7.756 0.612 -6.559 1.00 0.00 C ATOM 141 O VAL A 12 -8.511 0.249 -5.657 1.00 0.00 O ATOM 142 CB VAL A 12 -8.796 0.102 -8.770 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.106 -0.341 -8.136 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.833 1.585 -9.109 1.00 0.00 C ATOM 0 H VAL A 12 -8.330 -2.004 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.682 0.066 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.662 -0.456 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.932 -0.114 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.075 -1.414 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.251 0.187 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.676 1.786 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.943 2.165 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.906 1.867 -9.608 1.00 0.00 H new ATOM 154 N VAL A 13 -7.028 1.722 -6.490 1.00 0.00 N ATOM 155 CA VAL A 13 -7.076 2.596 -5.324 1.00 0.00 C ATOM 156 C VAL A 13 -8.458 3.220 -5.162 1.00 0.00 C ATOM 157 O VAL A 13 -9.134 3.522 -6.145 1.00 0.00 O ATOM 158 CB VAL A 13 -6.026 3.719 -5.420 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.061 4.592 -4.175 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.638 3.133 -5.631 1.00 0.00 C ATOM 0 H VAL A 13 -6.398 2.037 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.856 1.976 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.267 4.345 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.312 5.379 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.049 5.041 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.847 3.983 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.908 3.940 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.386 2.483 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.624 2.555 -6.555 1.00 0.00 H new ATOM 170 N VAL A 14 -8.872 3.411 -3.913 1.00 0.00 N ATOM 171 CA VAL A 14 -10.173 4.001 -3.621 1.00 0.00 C ATOM 172 C VAL A 14 -10.021 5.383 -2.994 1.00 0.00 C ATOM 173 O VAL A 14 -10.896 6.238 -3.132 1.00 0.00 O ATOM 174 CB VAL A 14 -10.995 3.107 -2.674 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.396 1.817 -3.372 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.210 2.814 -1.404 1.00 0.00 C ATOM 0 H VAL A 14 -8.325 3.166 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.700 4.092 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.905 3.640 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.976 1.198 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.999 2.050 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.501 1.277 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.806 2.181 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.283 2.301 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.978 3.750 -0.895 1.00 0.00 H new ATOM 186 N SER A 15 -8.905 5.595 -2.305 1.00 0.00 N ATOM 187 CA SER A 15 -8.640 6.872 -1.653 1.00 0.00 C ATOM 188 C SER A 15 -7.157 7.223 -1.730 1.00 0.00 C ATOM 189 O SER A 15 -6.307 6.346 -1.873 1.00 0.00 O ATOM 190 CB SER A 15 -9.089 6.826 -0.192 1.00 0.00 C ATOM 191 OG SER A 15 -8.719 8.010 0.493 1.00 0.00 O ATOM 0 H SER A 15 -8.169 4.899 -2.184 1.00 0.00 H new ATOM 0 HA SER A 15 -9.206 7.643 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.170 6.698 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.643 5.962 0.302 1.00 0.00 H new ATOM 0 HG SER A 15 -9.019 7.956 1.424 1.00 0.00 H new ATOM 197 N ASN A 16 -6.855 8.514 -1.634 1.00 0.00 N ATOM 198 CA ASN A 16 -5.476 8.983 -1.693 1.00 0.00 C ATOM 199 C ASN A 16 -4.718 8.604 -0.424 1.00 0.00 C ATOM 200 O ASN A 16 -5.018 9.099 0.663 1.00 0.00 O ATOM 201 CB ASN A 16 -5.439 10.500 -1.888 1.00 0.00 C ATOM 202 CG ASN A 16 -6.135 10.936 -3.162 1.00 0.00 C ATOM 203 OD1 ASN A 16 -5.590 10.801 -4.258 1.00 0.00 O ATOM 204 ND2 ASN A 16 -7.346 11.463 -3.024 1.00 0.00 N ATOM 0 H ASN A 16 -7.547 9.254 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.991 8.502 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.912 10.985 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.402 10.836 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.863 11.775 -3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.759 11.556 -2.096 1.00 0.00 H new ATOM 211 N TYR A 17 -3.734 7.724 -0.571 1.00 0.00 N ATOM 212 CA TYR A 17 -2.933 7.277 0.563 1.00 0.00 C ATOM 213 C TYR A 17 -1.692 8.148 0.731 1.00 0.00 C ATOM 214 O TYR A 17 -1.020 8.488 -0.243 1.00 0.00 O ATOM 215 CB TYR A 17 -2.522 5.815 0.379 1.00 0.00 C ATOM 216 CG TYR A 17 -2.023 5.162 1.648 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.858 5.007 2.747 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.716 4.700 1.748 1.00 0.00 C ATOM 219 CE1 TYR A 17 -2.406 4.411 3.909 1.00 0.00 C ATOM 220 CE2 TYR A 17 -0.256 4.102 2.905 1.00 0.00 C ATOM 221 CZ TYR A 17 -1.105 3.960 3.983 1.00 0.00 C ATOM 222 OH TYR A 17 -0.650 3.367 5.138 1.00 0.00 O ATOM 0 H TYR A 17 -3.472 7.306 -1.464 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.542 7.366 1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.375 5.251 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.742 5.758 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.878 5.358 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.048 4.811 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.068 4.299 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.762 3.748 2.965 1.00 0.00 H new ATOM 0 HH TYR A 17 0.306 3.554 5.247 1.00 0.00 H new ATOM 232 N LYS A 18 -1.394 8.507 1.975 1.00 0.00 N ATOM 233 CA LYS A 18 -0.233 9.337 2.275 1.00 0.00 C ATOM 234 C LYS A 18 0.884 8.506 2.899 1.00 0.00 C ATOM 235 O LYS A 18 0.840 8.179 4.086 1.00 0.00 O ATOM 236 CB LYS A 18 -0.625 10.475 3.220 1.00 0.00 C ATOM 237 CG LYS A 18 0.501 11.460 3.485 1.00 0.00 C ATOM 238 CD LYS A 18 0.643 12.463 2.353 1.00 0.00 C ATOM 239 CE LYS A 18 -0.233 13.685 2.578 1.00 0.00 C ATOM 240 NZ LYS A 18 0.376 14.634 3.550 1.00 0.00 N ATOM 0 H LYS A 18 -1.941 8.236 2.792 1.00 0.00 H new ATOM 0 HA LYS A 18 0.132 9.759 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.474 11.012 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.956 10.051 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.311 11.989 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.438 10.917 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.685 12.772 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.373 11.989 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.397 14.194 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.210 13.369 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.252 15.453 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.509 14.157 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.297 14.956 3.190 1.00 0.00 H new ATOM 254 N LYS A 19 1.885 8.168 2.094 1.00 0.00 N ATOM 255 CA LYS A 19 3.015 7.378 2.567 1.00 0.00 C ATOM 256 C LYS A 19 3.631 8.002 3.815 1.00 0.00 C ATOM 257 O LYS A 19 3.845 9.212 3.873 1.00 0.00 O ATOM 258 CB LYS A 19 4.074 7.257 1.469 1.00 0.00 C ATOM 259 CG LYS A 19 4.865 8.534 1.243 1.00 0.00 C ATOM 260 CD LYS A 19 5.781 8.416 0.037 1.00 0.00 C ATOM 261 CE LYS A 19 7.050 7.648 0.374 1.00 0.00 C ATOM 262 NZ LYS A 19 8.008 8.477 1.157 1.00 0.00 N ATOM 0 H LYS A 19 1.937 8.429 1.109 1.00 0.00 H new ATOM 0 HA LYS A 19 2.649 6.383 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.764 6.454 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.587 6.971 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.178 9.368 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.457 8.758 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.254 7.912 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.042 9.412 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.794 6.754 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.528 7.313 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.916 7.976 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.155 9.387 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.623 8.648 2.108 1.00 0.00 H new ATOM 276 N GLN A 20 3.913 7.168 4.810 1.00 0.00 N ATOM 277 CA GLN A 20 4.505 7.639 6.057 1.00 0.00 C ATOM 278 C GLN A 20 5.955 7.182 6.178 1.00 0.00 C ATOM 279 O GLN A 20 6.763 7.823 6.850 1.00 0.00 O ATOM 280 CB GLN A 20 3.697 7.133 7.253 1.00 0.00 C ATOM 281 CG GLN A 20 2.467 7.973 7.555 1.00 0.00 C ATOM 282 CD GLN A 20 2.790 9.207 8.375 1.00 0.00 C ATOM 283 OE1 GLN A 20 3.537 10.081 7.934 1.00 0.00 O ATOM 284 NE2 GLN A 20 2.227 9.285 9.575 1.00 0.00 N ATOM 0 H GLN A 20 3.741 6.163 4.777 1.00 0.00 H new ATOM 0 HA GLN A 20 4.486 8.729 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.387 6.105 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.339 7.115 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.000 8.276 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.739 7.365 8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.614 8.537 9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.407 10.093 10.171 1.00 0.00 H new ATOM 293 N GLU A 21 6.277 6.071 5.523 1.00 0.00 N ATOM 294 CA GLU A 21 7.630 5.529 5.559 1.00 0.00 C ATOM 295 C GLU A 21 8.208 5.415 4.151 1.00 0.00 C ATOM 296 O GLU A 21 7.470 5.328 3.171 1.00 0.00 O ATOM 297 CB GLU A 21 7.636 4.157 6.237 1.00 0.00 C ATOM 298 CG GLU A 21 9.012 3.715 6.705 1.00 0.00 C ATOM 299 CD GLU A 21 9.548 4.573 7.835 1.00 0.00 C ATOM 300 OE1 GLU A 21 8.937 4.567 8.924 1.00 0.00 O ATOM 301 OE2 GLU A 21 10.577 5.250 7.630 1.00 0.00 O ATOM 0 H GLU A 21 5.620 5.529 4.962 1.00 0.00 H new ATOM 0 HA GLU A 21 8.253 6.214 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.961 4.181 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.243 3.416 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.964 2.677 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.706 3.752 5.865 1.00 0.00 H new ATOM 308 N ASN A 22 9.534 5.417 4.061 1.00 0.00 N ATOM 309 CA ASN A 22 10.213 5.315 2.774 1.00 0.00 C ATOM 310 C ASN A 22 9.727 4.093 1.998 1.00 0.00 C ATOM 311 O ASN A 22 9.745 4.080 0.768 1.00 0.00 O ATOM 312 CB ASN A 22 11.727 5.235 2.977 1.00 0.00 C ATOM 313 CG ASN A 22 12.343 6.590 3.269 1.00 0.00 C ATOM 314 OD1 ASN A 22 12.069 7.571 2.578 1.00 0.00 O ATOM 315 ND2 ASN A 22 13.180 6.649 4.298 1.00 0.00 N ATOM 0 H ASN A 22 10.160 5.488 4.864 1.00 0.00 H new ATOM 0 HA ASN A 22 9.978 6.208 2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.945 4.555 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.189 4.814 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.625 7.533 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.378 5.810 4.843 1.00 0.00 H new ATOM 322 N SER A 23 9.294 3.070 2.728 1.00 0.00 N ATOM 323 CA SER A 23 8.807 1.843 2.109 1.00 0.00 C ATOM 324 C SER A 23 7.409 2.043 1.533 1.00 0.00 C ATOM 325 O SER A 23 7.128 1.642 0.404 1.00 0.00 O ATOM 326 CB SER A 23 8.792 0.703 3.130 1.00 0.00 C ATOM 327 OG SER A 23 10.053 0.569 3.762 1.00 0.00 O ATOM 0 H SER A 23 9.271 3.067 3.748 1.00 0.00 H new ATOM 0 HA SER A 23 9.483 1.583 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.024 0.892 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.529 -0.231 2.633 1.00 0.00 H new ATOM 0 HG SER A 23 10.017 -0.165 4.411 1.00 0.00 H new ATOM 333 N GLU A 24 6.535 2.666 2.318 1.00 0.00 N ATOM 334 CA GLU A 24 5.166 2.919 1.886 1.00 0.00 C ATOM 335 C GLU A 24 5.143 3.642 0.543 1.00 0.00 C ATOM 336 O GLU A 24 6.176 4.108 0.058 1.00 0.00 O ATOM 337 CB GLU A 24 4.421 3.746 2.936 1.00 0.00 C ATOM 338 CG GLU A 24 3.953 2.933 4.132 1.00 0.00 C ATOM 339 CD GLU A 24 3.150 3.757 5.119 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.161 4.392 4.695 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.508 3.768 6.315 1.00 0.00 O ATOM 0 H GLU A 24 6.751 3.004 3.256 1.00 0.00 H new ATOM 0 HA GLU A 24 4.666 1.957 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.073 4.547 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.557 4.219 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.346 2.097 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.819 2.508 4.639 1.00 0.00 H new ATOM 348 N LEU A 25 3.960 3.733 -0.054 1.00 0.00 N ATOM 349 CA LEU A 25 3.802 4.400 -1.341 1.00 0.00 C ATOM 350 C LEU A 25 2.698 5.451 -1.279 1.00 0.00 C ATOM 351 O LEU A 25 1.827 5.400 -0.410 1.00 0.00 O ATOM 352 CB LEU A 25 3.484 3.375 -2.432 1.00 0.00 C ATOM 353 CG LEU A 25 4.685 2.651 -3.043 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.223 1.605 -4.046 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.628 3.646 -3.703 1.00 0.00 C ATOM 0 H LEU A 25 3.096 3.353 0.333 1.00 0.00 H new ATOM 0 HA LEU A 25 4.741 4.900 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.808 2.628 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.945 3.881 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 25 5.226 2.144 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.091 1.100 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.588 0.875 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.659 2.089 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.477 3.113 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.099 4.181 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.985 4.358 -2.959 1.00 0.00 H new ATOM 367 N SER A 26 2.740 6.402 -2.206 1.00 0.00 N ATOM 368 CA SER A 26 1.745 7.466 -2.255 1.00 0.00 C ATOM 369 C SER A 26 0.812 7.283 -3.449 1.00 0.00 C ATOM 370 O SER A 26 0.813 8.089 -4.381 1.00 0.00 O ATOM 371 CB SER A 26 2.431 8.832 -2.334 1.00 0.00 C ATOM 372 OG SER A 26 3.302 8.901 -3.450 1.00 0.00 O ATOM 0 H SER A 26 3.453 6.457 -2.934 1.00 0.00 H new ATOM 0 HA SER A 26 1.152 7.417 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.678 9.617 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.993 9.014 -1.418 1.00 0.00 H new ATOM 0 HG SER A 26 2.786 8.788 -4.275 1.00 0.00 H new ATOM 378 N LEU A 27 0.018 6.219 -3.414 1.00 0.00 N ATOM 379 CA LEU A 27 -0.920 5.929 -4.492 1.00 0.00 C ATOM 380 C LEU A 27 -1.950 7.045 -4.633 1.00 0.00 C ATOM 381 O LEU A 27 -2.147 7.840 -3.714 1.00 0.00 O ATOM 382 CB LEU A 27 -1.628 4.597 -4.234 1.00 0.00 C ATOM 383 CG LEU A 27 -0.744 3.454 -3.733 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.545 2.165 -3.631 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.456 3.266 -4.650 1.00 0.00 C ATOM 0 H LEU A 27 0.005 5.543 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.356 5.860 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.420 4.765 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.109 4.279 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.380 3.712 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.900 1.363 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.371 2.304 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.939 1.903 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.074 2.449 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.111 3.031 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.044 4.184 -4.673 1.00 0.00 H new ATOM 397 N GLN A 28 -2.605 7.097 -5.789 1.00 0.00 N ATOM 398 CA GLN A 28 -3.615 8.115 -6.049 1.00 0.00 C ATOM 399 C GLN A 28 -4.963 7.476 -6.368 1.00 0.00 C ATOM 400 O GLN A 28 -5.027 6.332 -6.817 1.00 0.00 O ATOM 401 CB GLN A 28 -3.177 9.015 -7.206 1.00 0.00 C ATOM 402 CG GLN A 28 -3.989 10.294 -7.323 1.00 0.00 C ATOM 403 CD GLN A 28 -3.276 11.367 -8.121 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.112 11.211 -8.493 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.971 12.466 -8.390 1.00 0.00 N ATOM 0 H GLN A 28 -2.454 6.446 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.724 8.720 -5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.126 9.273 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.256 8.457 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.946 10.071 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.207 10.674 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.933 12.554 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.543 13.222 -8.924 1.00 0.00 H new ATOM 414 N ALA A 29 -6.037 8.223 -6.132 1.00 0.00 N ATOM 415 CA ALA A 29 -7.383 7.729 -6.396 1.00 0.00 C ATOM 416 C ALA A 29 -7.559 7.375 -7.868 1.00 0.00 C ATOM 417 O ALA A 29 -7.327 8.202 -8.748 1.00 0.00 O ATOM 418 CB ALA A 29 -8.416 8.763 -5.973 1.00 0.00 C ATOM 0 H ALA A 29 -6.001 9.172 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.532 6.821 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.417 8.382 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.313 8.965 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.259 9.685 -6.533 1.00 0.00 H new ATOM 424 N GLY A 30 -7.969 6.137 -8.129 1.00 0.00 N ATOM 425 CA GLY A 30 -8.168 5.695 -9.497 1.00 0.00 C ATOM 426 C GLY A 30 -6.911 5.103 -10.104 1.00 0.00 C ATOM 427 O GLY A 30 -6.780 5.029 -11.325 1.00 0.00 O ATOM 0 H GLY A 30 -8.167 5.433 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.965 4.952 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.498 6.538 -10.104 1.00 0.00 H new ATOM 431 N GLU A 31 -5.984 4.682 -9.248 1.00 0.00 N ATOM 432 CA GLU A 31 -4.731 4.097 -9.709 1.00 0.00 C ATOM 433 C GLU A 31 -4.770 2.575 -9.602 1.00 0.00 C ATOM 434 O GLU A 31 -5.281 2.022 -8.628 1.00 0.00 O ATOM 435 CB GLU A 31 -3.557 4.646 -8.895 1.00 0.00 C ATOM 436 CG GLU A 31 -2.197 4.234 -9.435 1.00 0.00 C ATOM 437 CD GLU A 31 -1.812 4.995 -10.689 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.077 6.214 -10.747 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.247 4.372 -11.611 1.00 0.00 O ATOM 0 H GLU A 31 -6.078 4.735 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.596 4.367 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.616 5.734 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.648 4.303 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.441 4.399 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.204 3.166 -9.651 1.00 0.00 H new ATOM 446 N VAL A 32 -4.226 1.903 -10.612 1.00 0.00 N ATOM 447 CA VAL A 32 -4.197 0.445 -10.633 1.00 0.00 C ATOM 448 C VAL A 32 -2.854 -0.085 -10.145 1.00 0.00 C ATOM 449 O VAL A 32 -1.798 0.388 -10.565 1.00 0.00 O ATOM 450 CB VAL A 32 -4.469 -0.101 -12.047 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.543 -1.620 -12.028 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.749 0.497 -12.612 1.00 0.00 C ATOM 0 H VAL A 32 -3.799 2.345 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.985 0.103 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.642 0.190 -12.695 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.736 -1.988 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.597 -2.026 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.349 -1.937 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.926 0.100 -13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.588 0.239 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.652 1.581 -12.664 1.00 0.00 H new ATOM 462 N VAL A 33 -2.901 -1.071 -9.254 1.00 0.00 N ATOM 463 CA VAL A 33 -1.688 -1.668 -8.709 1.00 0.00 C ATOM 464 C VAL A 33 -1.711 -3.186 -8.851 1.00 0.00 C ATOM 465 O VAL A 33 -2.747 -3.775 -9.155 1.00 0.00 O ATOM 466 CB VAL A 33 -1.502 -1.304 -7.224 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.480 0.206 -7.042 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.599 -1.935 -6.380 1.00 0.00 C ATOM 0 H VAL A 33 -3.767 -1.473 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.852 -1.266 -9.281 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.543 -1.700 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.348 0.443 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.655 0.630 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.421 0.629 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.452 -1.668 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.570 -1.571 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.562 -3.019 -6.486 1.00 0.00 H new ATOM 478 N ASP A 34 -0.561 -3.812 -8.627 1.00 0.00 N ATOM 479 CA ASP A 34 -0.448 -5.263 -8.728 1.00 0.00 C ATOM 480 C ASP A 34 -0.108 -5.877 -7.373 1.00 0.00 C ATOM 481 O ASP A 34 1.029 -5.794 -6.910 1.00 0.00 O ATOM 482 CB ASP A 34 0.618 -5.642 -9.756 1.00 0.00 C ATOM 483 CG ASP A 34 0.081 -5.645 -11.174 1.00 0.00 C ATOM 484 OD1 ASP A 34 0.105 -4.576 -11.820 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.363 -6.716 -11.637 1.00 0.00 O ATOM 0 H ASP A 34 0.306 -3.338 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.411 -5.656 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.450 -4.941 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.013 -6.630 -9.518 1.00 0.00 H new ATOM 490 N VAL A 35 -1.103 -6.492 -6.742 1.00 0.00 N ATOM 491 CA VAL A 35 -0.910 -7.121 -5.440 1.00 0.00 C ATOM 492 C VAL A 35 0.017 -8.327 -5.545 1.00 0.00 C ATOM 493 O VAL A 35 -0.324 -9.332 -6.167 1.00 0.00 O ATOM 494 CB VAL A 35 -2.251 -7.569 -4.829 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.049 -8.067 -3.406 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.259 -6.431 -4.866 1.00 0.00 C ATOM 0 H VAL A 35 -2.051 -6.568 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.456 -6.373 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.645 -8.393 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.007 -8.379 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.362 -8.913 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.633 -7.266 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.201 -6.765 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.875 -5.586 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.425 -6.126 -5.899 1.00 0.00 H new ATOM 506 N ILE A 36 1.191 -8.219 -4.931 1.00 0.00 N ATOM 507 CA ILE A 36 2.166 -9.301 -4.953 1.00 0.00 C ATOM 508 C ILE A 36 1.981 -10.233 -3.760 1.00 0.00 C ATOM 509 O ILE A 36 1.700 -11.419 -3.925 1.00 0.00 O ATOM 510 CB ILE A 36 3.608 -8.760 -4.948 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.829 -7.826 -6.140 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.605 -9.909 -4.977 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.194 -7.175 -6.152 1.00 0.00 C ATOM 0 H ILE A 36 1.489 -7.393 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 36 1.998 -9.857 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 36 3.764 -8.192 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.696 -8.390 -7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.065 -7.049 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.620 -9.511 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.459 -10.539 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.451 -10.501 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.280 -6.527 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.323 -6.583 -5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.964 -7.945 -6.195 1.00 0.00 H new ATOM 525 N GLU A 37 2.139 -9.686 -2.559 1.00 0.00 N ATOM 526 CA GLU A 37 1.988 -10.469 -1.338 1.00 0.00 C ATOM 527 C GLU A 37 0.899 -9.881 -0.446 1.00 0.00 C ATOM 528 O GLU A 37 0.485 -8.735 -0.625 1.00 0.00 O ATOM 529 CB GLU A 37 3.313 -10.525 -0.574 1.00 0.00 C ATOM 530 CG GLU A 37 4.218 -11.666 -1.008 1.00 0.00 C ATOM 531 CD GLU A 37 5.688 -11.355 -0.805 1.00 0.00 C ATOM 532 OE1 GLU A 37 5.994 -10.324 -0.170 1.00 0.00 O ATOM 533 OE2 GLU A 37 6.532 -12.143 -1.280 1.00 0.00 O ATOM 0 H GLU A 37 2.371 -8.705 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 37 1.696 -11.481 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.841 -9.581 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.105 -10.623 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.960 -12.563 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.039 -11.886 -2.060 1.00 0.00 H new ATOM 540 N LYS A 38 0.438 -10.673 0.516 1.00 0.00 N ATOM 541 CA LYS A 38 -0.602 -10.233 1.438 1.00 0.00 C ATOM 542 C LYS A 38 -0.282 -10.664 2.866 1.00 0.00 C ATOM 543 O LYS A 38 0.105 -11.807 3.107 1.00 0.00 O ATOM 544 CB LYS A 38 -1.959 -10.800 1.015 1.00 0.00 C ATOM 545 CG LYS A 38 -2.361 -10.425 -0.401 1.00 0.00 C ATOM 546 CD LYS A 38 -3.486 -11.308 -0.913 1.00 0.00 C ATOM 547 CE LYS A 38 -3.393 -11.512 -2.418 1.00 0.00 C ATOM 548 NZ LYS A 38 -2.591 -12.718 -2.766 1.00 0.00 N ATOM 0 H LYS A 38 0.769 -11.624 0.677 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.644 -9.144 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.932 -11.886 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.723 -10.445 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.676 -9.382 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.498 -10.514 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.449 -12.275 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.446 -10.856 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.396 -11.610 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.943 -10.632 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.551 -12.822 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.626 -12.613 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.034 -13.562 -2.350 1.00 0.00 H new ATOM 562 N ASN A 39 -0.447 -9.742 3.808 1.00 0.00 N ATOM 563 CA ASN A 39 -0.176 -10.027 5.213 1.00 0.00 C ATOM 564 C ASN A 39 -1.474 -10.231 5.987 1.00 0.00 C ATOM 565 O ASN A 39 -2.444 -9.498 5.796 1.00 0.00 O ATOM 566 CB ASN A 39 0.631 -8.888 5.840 1.00 0.00 C ATOM 567 CG ASN A 39 1.443 -9.345 7.036 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.688 -10.538 7.215 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.863 -8.395 7.863 1.00 0.00 N ATOM 0 H ASN A 39 -0.767 -8.791 3.625 1.00 0.00 H new ATOM 0 HA ASN A 39 0.406 -10.947 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.300 -8.465 5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.047 -8.092 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.412 -8.642 8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.636 -7.418 7.675 1.00 0.00 H new ATOM 576 N GLU A 40 -1.485 -11.233 6.861 1.00 0.00 N ATOM 577 CA GLU A 40 -2.665 -11.534 7.663 1.00 0.00 C ATOM 578 C GLU A 40 -3.144 -10.293 8.411 1.00 0.00 C ATOM 579 O GLU A 40 -4.346 -10.068 8.556 1.00 0.00 O ATOM 580 CB GLU A 40 -2.360 -12.656 8.658 1.00 0.00 C ATOM 581 CG GLU A 40 -2.191 -14.018 8.006 1.00 0.00 C ATOM 582 CD GLU A 40 -0.791 -14.236 7.464 1.00 0.00 C ATOM 583 OE1 GLU A 40 0.120 -13.473 7.849 1.00 0.00 O ATOM 584 OE2 GLU A 40 -0.607 -15.169 6.656 1.00 0.00 O ATOM 0 H GLU A 40 -0.690 -11.850 7.031 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.457 -11.861 6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.450 -12.408 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.166 -12.710 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.420 -14.796 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.911 -14.120 7.194 1.00 0.00 H new ATOM 591 N SER A 41 -2.196 -9.491 8.885 1.00 0.00 N ATOM 592 CA SER A 41 -2.521 -8.275 9.622 1.00 0.00 C ATOM 593 C SER A 41 -3.438 -7.372 8.803 1.00 0.00 C ATOM 594 O SER A 41 -4.282 -6.665 9.351 1.00 0.00 O ATOM 595 CB SER A 41 -1.242 -7.521 9.992 1.00 0.00 C ATOM 596 OG SER A 41 -0.379 -8.332 10.770 1.00 0.00 O ATOM 0 H SER A 41 -1.197 -9.661 8.772 1.00 0.00 H new ATOM 0 HA SER A 41 -3.043 -8.561 10.535 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.728 -7.203 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.496 -6.618 10.547 1.00 0.00 H new ATOM 0 HG SER A 41 0.432 -7.828 10.992 1.00 0.00 H new ATOM 602 N GLY A 42 -3.265 -7.402 7.485 1.00 0.00 N ATOM 603 CA GLY A 42 -4.083 -6.583 6.610 1.00 0.00 C ATOM 604 C GLY A 42 -3.256 -5.776 5.629 1.00 0.00 C ATOM 605 O GLY A 42 -3.759 -5.340 4.594 1.00 0.00 O ATOM 0 H GLY A 42 -2.573 -7.979 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.772 -7.223 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.689 -5.906 7.213 1.00 0.00 H new ATOM 609 N TRP A 43 -1.984 -5.577 5.955 1.00 0.00 N ATOM 610 CA TRP A 43 -1.085 -4.816 5.094 1.00 0.00 C ATOM 611 C TRP A 43 -0.728 -5.609 3.843 1.00 0.00 C ATOM 612 O TRP A 43 -0.062 -6.642 3.921 1.00 0.00 O ATOM 613 CB TRP A 43 0.187 -4.440 5.856 1.00 0.00 C ATOM 614 CG TRP A 43 0.001 -3.282 6.788 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.425 -3.333 8.085 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.235 -1.900 6.495 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.471 -2.066 8.614 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.070 -1.169 7.660 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.674 -1.209 5.362 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.049 0.217 7.721 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.791 0.166 5.425 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.481 0.867 6.598 1.00 0.00 C ATOM 0 H TRP A 43 -1.552 -5.931 6.808 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.599 -3.905 4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.529 -5.304 6.426 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.973 -4.198 5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.687 -4.236 8.616 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.758 -1.831 9.564 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.917 -1.740 4.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.191 0.760 8.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.127 0.710 4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.585 1.942 6.616 1.00 0.00 H new ATOM 633 N TRP A 44 -1.173 -5.121 2.691 1.00 0.00 N ATOM 634 CA TRP A 44 -0.899 -5.786 1.422 1.00 0.00 C ATOM 635 C TRP A 44 0.315 -5.170 0.736 1.00 0.00 C ATOM 636 O TRP A 44 0.569 -3.972 0.859 1.00 0.00 O ATOM 637 CB TRP A 44 -2.119 -5.699 0.503 1.00 0.00 C ATOM 638 CG TRP A 44 -3.191 -6.689 0.843 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.448 -7.230 2.071 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.150 -7.257 -0.056 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.508 -8.100 1.989 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.957 -8.134 0.695 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.406 -7.109 -1.421 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.999 -8.859 0.124 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.441 -7.829 -1.987 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.228 -8.695 -1.215 1.00 0.00 C ATOM 0 H TRP A 44 -1.725 -4.267 2.609 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.683 -6.834 1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.534 -4.692 0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.801 -5.858 -0.527 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.899 -7.007 2.974 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.898 -8.634 2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.806 -6.444 -2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.605 -9.528 0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.647 -7.723 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.030 -9.243 -1.686 1.00 0.00 H new ATOM 657 N PHE A 45 1.063 -5.997 0.012 1.00 0.00 N ATOM 658 CA PHE A 45 2.251 -5.533 -0.694 1.00 0.00 C ATOM 659 C PHE A 45 1.979 -5.400 -2.189 1.00 0.00 C ATOM 660 O PHE A 45 1.897 -6.397 -2.907 1.00 0.00 O ATOM 661 CB PHE A 45 3.418 -6.495 -0.459 1.00 0.00 C ATOM 662 CG PHE A 45 4.700 -6.051 -1.104 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.167 -4.758 -0.930 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.439 -6.927 -1.883 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.345 -4.347 -1.523 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.619 -6.522 -2.478 1.00 0.00 C ATOM 667 CZ PHE A 45 7.073 -5.230 -2.297 1.00 0.00 C ATOM 0 H PHE A 45 0.867 -6.992 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 45 2.515 -4.550 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.579 -6.603 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.150 -7.480 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.604 -4.064 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.089 -7.938 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.697 -3.336 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.185 -7.214 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.995 -4.911 -2.760 1.00 0.00 H new ATOM 677 N VAL A 46 1.839 -4.162 -2.652 1.00 0.00 N ATOM 678 CA VAL A 46 1.577 -3.898 -4.061 1.00 0.00 C ATOM 679 C VAL A 46 2.830 -3.393 -4.769 1.00 0.00 C ATOM 680 O VAL A 46 3.876 -3.210 -4.146 1.00 0.00 O ATOM 681 CB VAL A 46 0.450 -2.863 -4.238 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.821 -3.335 -3.548 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.884 -1.506 -3.704 1.00 0.00 C ATOM 0 H VAL A 46 1.903 -3.326 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 46 1.267 -4.843 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 46 0.240 -2.758 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.606 -2.591 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.140 -4.283 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.629 -3.470 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.076 -0.787 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.123 -1.592 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.765 -1.166 -4.248 1.00 0.00 H new ATOM 693 N SER A 47 2.717 -3.170 -6.074 1.00 0.00 N ATOM 694 CA SER A 47 3.841 -2.690 -6.868 1.00 0.00 C ATOM 695 C SER A 47 3.354 -1.892 -8.073 1.00 0.00 C ATOM 696 O SER A 47 2.588 -2.393 -8.897 1.00 0.00 O ATOM 697 CB SER A 47 4.703 -3.865 -7.334 1.00 0.00 C ATOM 698 OG SER A 47 5.581 -4.293 -6.308 1.00 0.00 O ATOM 0 H SER A 47 1.858 -3.314 -6.604 1.00 0.00 H new ATOM 0 HA SER A 47 4.443 -2.034 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.062 -4.693 -7.637 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.280 -3.571 -8.211 1.00 0.00 H new ATOM 0 HG SER A 47 5.266 -3.952 -5.445 1.00 0.00 H new ATOM 704 N THR A 48 3.804 -0.644 -8.170 1.00 0.00 N ATOM 705 CA THR A 48 3.414 0.225 -9.273 1.00 0.00 C ATOM 706 C THR A 48 4.580 0.458 -10.228 1.00 0.00 C ATOM 707 O THR A 48 5.718 0.092 -9.934 1.00 0.00 O ATOM 708 CB THR A 48 2.903 1.586 -8.763 1.00 0.00 C ATOM 709 OG1 THR A 48 3.997 2.363 -8.263 1.00 0.00 O ATOM 710 CG2 THR A 48 1.866 1.397 -7.666 1.00 0.00 C ATOM 0 H THR A 48 4.439 -0.213 -7.498 1.00 0.00 H new ATOM 0 HA THR A 48 2.608 -0.281 -9.804 1.00 0.00 H new ATOM 0 HB THR A 48 2.436 2.110 -9.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.619 1.779 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.519 2.371 -7.321 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.022 0.829 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.313 0.855 -6.832 1.00 0.00 H new ATOM 718 N SER A 49 4.288 1.070 -11.371 1.00 0.00 N ATOM 719 CA SER A 49 5.313 1.350 -12.371 1.00 0.00 C ATOM 720 C SER A 49 6.415 2.229 -11.789 1.00 0.00 C ATOM 721 O SER A 49 7.575 2.131 -12.185 1.00 0.00 O ATOM 722 CB SER A 49 4.691 2.032 -13.591 1.00 0.00 C ATOM 723 OG SER A 49 3.628 2.888 -13.211 1.00 0.00 O ATOM 0 H SER A 49 3.351 1.381 -11.628 1.00 0.00 H new ATOM 0 HA SER A 49 5.754 0.402 -12.679 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.453 2.606 -14.118 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.323 1.277 -14.285 1.00 0.00 H new ATOM 0 HG SER A 49 3.249 3.313 -14.009 1.00 0.00 H new ATOM 729 N GLU A 50 6.042 3.088 -10.845 1.00 0.00 N ATOM 730 CA GLU A 50 6.998 3.985 -10.208 1.00 0.00 C ATOM 731 C GLU A 50 7.898 3.223 -9.240 1.00 0.00 C ATOM 732 O GLU A 50 9.103 3.105 -9.459 1.00 0.00 O ATOM 733 CB GLU A 50 6.265 5.105 -9.466 1.00 0.00 C ATOM 734 CG GLU A 50 5.329 5.910 -10.351 1.00 0.00 C ATOM 735 CD GLU A 50 6.029 6.493 -11.563 1.00 0.00 C ATOM 736 OE1 GLU A 50 7.227 6.829 -11.451 1.00 0.00 O ATOM 737 OE2 GLU A 50 5.381 6.613 -12.623 1.00 0.00 O ATOM 0 H GLU A 50 5.085 3.181 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 50 7.621 4.423 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.693 4.672 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.000 5.777 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.509 5.272 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.888 6.718 -9.767 1.00 0.00 H new ATOM 744 N GLU A 51 7.303 2.708 -8.168 1.00 0.00 N ATOM 745 CA GLU A 51 8.051 1.958 -7.166 1.00 0.00 C ATOM 746 C GLU A 51 7.160 0.925 -6.482 1.00 0.00 C ATOM 747 O GLU A 51 6.009 0.730 -6.870 1.00 0.00 O ATOM 748 CB GLU A 51 8.643 2.908 -6.123 1.00 0.00 C ATOM 749 CG GLU A 51 9.539 3.982 -6.717 1.00 0.00 C ATOM 750 CD GLU A 51 10.381 4.684 -5.669 1.00 0.00 C ATOM 751 OE1 GLU A 51 9.911 4.811 -4.519 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.509 5.107 -5.998 1.00 0.00 O ATOM 0 H GLU A 51 6.306 2.797 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 51 8.862 1.434 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.830 3.386 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.216 2.328 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.194 3.532 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.924 4.717 -7.236 1.00 0.00 H new ATOM 759 N GLN A 52 7.702 0.267 -5.462 1.00 0.00 N ATOM 760 CA GLN A 52 6.957 -0.747 -4.725 1.00 0.00 C ATOM 761 C GLN A 52 6.891 -0.402 -3.241 1.00 0.00 C ATOM 762 O GLN A 52 7.803 0.219 -2.697 1.00 0.00 O ATOM 763 CB GLN A 52 7.601 -2.121 -4.913 1.00 0.00 C ATOM 764 CG GLN A 52 7.908 -2.456 -6.364 1.00 0.00 C ATOM 765 CD GLN A 52 8.664 -3.761 -6.515 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.380 -4.185 -5.608 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.507 -4.407 -7.664 1.00 0.00 N ATOM 0 H GLN A 52 8.654 0.418 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 52 5.941 -0.773 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.525 -2.162 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.937 -2.883 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.975 -2.514 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.494 -1.648 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.903 -4.019 -8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.990 -5.291 -7.822 1.00 0.00 H new ATOM 776 N GLY A 53 5.804 -0.808 -2.592 1.00 0.00 N ATOM 777 CA GLY A 53 5.639 -0.532 -1.176 1.00 0.00 C ATOM 778 C GLY A 53 4.466 -1.279 -0.573 1.00 0.00 C ATOM 779 O GLY A 53 3.740 -1.980 -1.278 1.00 0.00 O ATOM 0 H GLY A 53 5.035 -1.323 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.551 -0.806 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.497 0.539 -1.032 1.00 0.00 H new ATOM 783 N TRP A 54 4.282 -1.131 0.734 1.00 0.00 N ATOM 784 CA TRP A 54 3.189 -1.799 1.432 1.00 0.00 C ATOM 785 C TRP A 54 2.078 -0.813 1.772 1.00 0.00 C ATOM 786 O TRP A 54 2.341 0.329 2.150 1.00 0.00 O ATOM 787 CB TRP A 54 3.705 -2.467 2.708 1.00 0.00 C ATOM 788 CG TRP A 54 4.644 -3.605 2.445 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.921 -3.520 1.970 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.378 -4.998 2.642 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.466 -4.777 1.859 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.540 -5.701 2.265 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.273 -5.720 3.100 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.624 -7.089 2.334 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.359 -7.097 3.167 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.527 -7.770 2.786 1.00 0.00 C ATOM 0 H TRP A 54 4.875 -0.555 1.332 1.00 0.00 H new ATOM 0 HA TRP A 54 2.780 -2.563 0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.212 -1.721 3.320 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.857 -2.832 3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.428 -2.600 1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.408 -4.988 1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.368 -5.211 3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.524 -7.610 2.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.511 -7.665 3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.562 -8.848 2.850 1.00 0.00 H new ATOM 807 N VAL A 55 0.833 -1.261 1.638 1.00 0.00 N ATOM 808 CA VAL A 55 -0.319 -0.418 1.933 1.00 0.00 C ATOM 809 C VAL A 55 -1.493 -1.248 2.438 1.00 0.00 C ATOM 810 O VAL A 55 -1.601 -2.445 2.168 1.00 0.00 O ATOM 811 CB VAL A 55 -0.764 0.379 0.692 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.159 1.565 0.459 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.807 -0.523 -0.532 1.00 0.00 C ATOM 0 H VAL A 55 0.597 -2.203 1.327 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.009 0.279 2.712 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.769 0.762 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.171 2.116 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.134 2.222 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.177 1.209 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.123 0.056 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.185 -0.937 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.513 -1.335 -0.361 1.00 0.00 H new ATOM 823 N PRO A 56 -2.396 -0.601 3.189 1.00 0.00 N ATOM 824 CA PRO A 56 -3.580 -1.261 3.747 1.00 0.00 C ATOM 825 C PRO A 56 -4.596 -1.634 2.673 1.00 0.00 C ATOM 826 O PRO A 56 -4.912 -0.830 1.797 1.00 0.00 O ATOM 827 CB PRO A 56 -4.163 -0.205 4.690 1.00 0.00 C ATOM 828 CG PRO A 56 -3.687 1.096 4.142 1.00 0.00 C ATOM 829 CD PRO A 56 -2.332 0.825 3.550 1.00 0.00 C ATOM 0 HA PRO A 56 -3.329 -2.200 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.252 -0.251 4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.818 -0.354 5.713 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.374 1.476 3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.626 1.851 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.142 1.452 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.534 1.023 4.266 1.00 0.00 H new ATOM 837 N ALA A 57 -5.105 -2.860 2.748 1.00 0.00 N ATOM 838 CA ALA A 57 -6.087 -3.339 1.783 1.00 0.00 C ATOM 839 C ALA A 57 -7.301 -2.418 1.732 1.00 0.00 C ATOM 840 O ALA A 57 -8.003 -2.352 0.722 1.00 0.00 O ATOM 841 CB ALA A 57 -6.514 -4.759 2.125 1.00 0.00 C ATOM 0 H ALA A 57 -4.854 -3.539 3.467 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.621 -3.338 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.247 -5.104 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.644 -5.416 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.957 -4.776 3.121 1.00 0.00 H new ATOM 847 N THR A 58 -7.545 -1.706 2.828 1.00 0.00 N ATOM 848 CA THR A 58 -8.676 -0.790 2.909 1.00 0.00 C ATOM 849 C THR A 58 -8.648 0.219 1.767 1.00 0.00 C ATOM 850 O THR A 58 -9.688 0.736 1.357 1.00 0.00 O ATOM 851 CB THR A 58 -8.688 -0.030 4.249 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.415 0.585 4.476 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.016 -0.969 5.400 1.00 0.00 C ATOM 0 H THR A 58 -6.974 -1.746 3.672 1.00 0.00 H new ATOM 0 HA THR A 58 -9.579 -1.395 2.834 1.00 0.00 H new ATOM 0 HB THR A 58 -9.458 0.740 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.467 1.537 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.019 -0.410 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.999 -1.412 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.266 -1.758 5.451 1.00 0.00 H new ATOM 861 N TYR A 59 -7.454 0.495 1.256 1.00 0.00 N ATOM 862 CA TYR A 59 -7.291 1.444 0.160 1.00 0.00 C ATOM 863 C TYR A 59 -7.208 0.720 -1.180 1.00 0.00 C ATOM 864 O TYR A 59 -6.571 1.199 -2.119 1.00 0.00 O ATOM 865 CB TYR A 59 -6.036 2.291 0.374 1.00 0.00 C ATOM 866 CG TYR A 59 -6.209 3.379 1.409 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.303 3.072 2.761 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.278 4.716 1.036 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.462 4.063 3.710 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.435 5.714 1.978 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.528 5.382 3.314 1.00 0.00 C ATOM 872 OH TYR A 59 -6.685 6.373 4.256 1.00 0.00 O ATOM 0 H TYR A 59 -6.584 0.075 1.583 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.164 2.097 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.216 1.640 0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.749 2.746 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.251 2.040 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.208 4.979 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.534 3.806 4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.485 6.748 1.671 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.712 7.246 3.811 1.00 0.00 H new ATOM 882 N LEU A 60 -7.855 -0.437 -1.261 1.00 0.00 N ATOM 883 CA LEU A 60 -7.856 -1.229 -2.486 1.00 0.00 C ATOM 884 C LEU A 60 -9.190 -1.946 -2.671 1.00 0.00 C ATOM 885 O LEU A 60 -9.756 -2.479 -1.717 1.00 0.00 O ATOM 886 CB LEU A 60 -6.717 -2.249 -2.458 1.00 0.00 C ATOM 887 CG LEU A 60 -5.353 -1.720 -2.013 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.425 -2.870 -1.653 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.735 -0.856 -3.103 1.00 0.00 C ATOM 0 H LEU A 60 -8.386 -0.848 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.709 -0.551 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.003 -3.064 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.612 -2.674 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.496 -1.104 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.459 -2.474 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.862 -3.449 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.288 -3.513 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.765 -0.488 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.606 -1.449 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.391 -0.011 -3.313 1.00 0.00 H new ATOM 901 N GLU A 61 -9.686 -1.954 -3.904 1.00 0.00 N ATOM 902 CA GLU A 61 -10.953 -2.606 -4.213 1.00 0.00 C ATOM 903 C GLU A 61 -10.794 -3.581 -5.376 1.00 0.00 C ATOM 904 O GLU A 61 -10.226 -3.240 -6.413 1.00 0.00 O ATOM 905 CB GLU A 61 -12.020 -1.563 -4.550 1.00 0.00 C ATOM 906 CG GLU A 61 -13.441 -2.091 -4.449 1.00 0.00 C ATOM 907 CD GLU A 61 -14.476 -0.983 -4.437 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.301 -0.001 -5.189 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.460 -1.097 -3.677 1.00 0.00 O ATOM 0 H GLU A 61 -9.230 -1.517 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.268 -3.166 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.909 -0.712 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.849 -1.195 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.637 -2.757 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.540 -2.685 -3.541 1.00 0.00 H new ATOM 916 N ALA A 62 -11.299 -4.797 -5.194 1.00 0.00 N ATOM 917 CA ALA A 62 -11.214 -5.821 -6.228 1.00 0.00 C ATOM 918 C ALA A 62 -11.934 -5.380 -7.498 1.00 0.00 C ATOM 919 O ALA A 62 -13.162 -5.396 -7.563 1.00 0.00 O ATOM 920 CB ALA A 62 -11.794 -7.133 -5.720 1.00 0.00 C ATOM 0 H ALA A 62 -11.771 -5.097 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.162 -5.970 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.724 -7.889 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.234 -7.464 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.840 -6.988 -5.448 1.00 0.00 H new ATOM 926 N GLN A 63 -11.160 -4.987 -8.505 1.00 0.00 N ATOM 927 CA GLN A 63 -11.724 -4.540 -9.773 1.00 0.00 C ATOM 928 C GLN A 63 -12.603 -5.624 -10.389 1.00 0.00 C ATOM 929 O GLN A 63 -12.146 -6.738 -10.639 1.00 0.00 O ATOM 930 CB GLN A 63 -10.608 -4.157 -10.746 1.00 0.00 C ATOM 931 CG GLN A 63 -9.721 -3.030 -10.241 1.00 0.00 C ATOM 932 CD GLN A 63 -8.455 -2.873 -11.059 1.00 0.00 C ATOM 933 OE1 GLN A 63 -7.348 -3.070 -10.555 1.00 0.00 O ATOM 934 NE2 GLN A 63 -8.610 -2.517 -12.328 1.00 0.00 N ATOM 0 H GLN A 63 -10.141 -4.969 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.342 -3.663 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.991 -5.034 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.052 -3.861 -11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.281 -2.095 -10.262 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.456 -3.220 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.546 -2.364 -12.704 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.793 -2.396 -12.927 1.00 0.00 H new ATOM 943 N ASN A 64 -13.866 -5.288 -10.632 1.00 0.00 N ATOM 944 CA ASN A 64 -14.809 -6.233 -11.219 1.00 0.00 C ATOM 945 C ASN A 64 -14.311 -6.727 -12.574 1.00 0.00 C ATOM 946 O ASN A 64 -14.143 -5.944 -13.508 1.00 0.00 O ATOM 947 CB ASN A 64 -16.185 -5.582 -11.375 1.00 0.00 C ATOM 948 CG ASN A 64 -16.995 -5.631 -10.094 1.00 0.00 C ATOM 949 OD1 ASN A 64 -17.510 -4.611 -9.633 1.00 0.00 O ATOM 950 ND2 ASN A 64 -17.112 -6.819 -9.512 1.00 0.00 N ATOM 0 H ASN A 64 -14.260 -4.369 -10.432 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.893 -7.088 -10.549 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.060 -4.544 -11.684 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.735 -6.087 -12.169 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.645 -6.913 -8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.668 -7.637 -9.929 1.00 0.00 H new ATOM 957 N SER A 65 -14.078 -8.032 -12.672 1.00 0.00 N ATOM 958 CA SER A 65 -13.597 -8.631 -13.912 1.00 0.00 C ATOM 959 C SER A 65 -14.457 -9.827 -14.307 1.00 0.00 C ATOM 960 O SER A 65 -14.781 -10.675 -13.477 1.00 0.00 O ATOM 961 CB SER A 65 -12.138 -9.066 -13.760 1.00 0.00 C ATOM 962 OG SER A 65 -11.809 -10.082 -14.692 1.00 0.00 O ATOM 0 H SER A 65 -14.214 -8.694 -11.908 1.00 0.00 H new ATOM 0 HA SER A 65 -13.665 -7.881 -14.700 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.482 -8.208 -13.906 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.967 -9.429 -12.746 1.00 0.00 H new ATOM 0 HG SER A 65 -10.871 -10.342 -14.576 1.00 0.00 H new ATOM 968 N GLY A 66 -14.826 -9.887 -15.583 1.00 0.00 N ATOM 969 CA GLY A 66 -15.646 -10.982 -16.068 1.00 0.00 C ATOM 970 C GLY A 66 -15.813 -10.959 -17.574 1.00 0.00 C ATOM 971 O GLY A 66 -16.880 -10.636 -18.097 1.00 0.00 O ATOM 0 H GLY A 66 -14.572 -9.197 -16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.195 -11.929 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.627 -10.934 -15.596 1.00 0.00 H new ATOM 975 N PRO A 67 -14.739 -11.305 -18.299 1.00 0.00 N ATOM 976 CA PRO A 67 -14.747 -11.329 -19.764 1.00 0.00 C ATOM 977 C PRO A 67 -15.608 -12.457 -20.321 1.00 0.00 C ATOM 978 O PRO A 67 -15.120 -13.560 -20.569 1.00 0.00 O ATOM 979 CB PRO A 67 -13.275 -11.553 -20.123 1.00 0.00 C ATOM 980 CG PRO A 67 -12.697 -12.242 -18.936 1.00 0.00 C ATOM 981 CD PRO A 67 -13.434 -11.701 -17.743 1.00 0.00 C ATOM 0 HA PRO A 67 -15.169 -10.416 -20.184 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.175 -12.161 -21.022 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.767 -10.609 -20.319 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.820 -13.322 -19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.627 -12.048 -18.855 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.542 -12.454 -16.962 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.912 -10.853 -17.299 1.00 0.00 H new ATOM 989 N SER A 68 -16.892 -12.174 -20.516 1.00 0.00 N ATOM 990 CA SER A 68 -17.823 -13.167 -21.041 1.00 0.00 C ATOM 991 C SER A 68 -17.823 -13.158 -22.567 1.00 0.00 C ATOM 992 O SER A 68 -17.934 -12.104 -23.192 1.00 0.00 O ATOM 993 CB SER A 68 -19.235 -12.899 -20.518 1.00 0.00 C ATOM 994 OG SER A 68 -19.446 -13.535 -19.269 1.00 0.00 O ATOM 0 H SER A 68 -17.312 -11.266 -20.318 1.00 0.00 H new ATOM 0 HA SER A 68 -17.498 -14.150 -20.701 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.390 -11.825 -20.413 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.968 -13.258 -21.241 1.00 0.00 H new ATOM 0 HG SER A 68 -20.355 -13.347 -18.956 1.00 0.00 H new ATOM 1000 N SER A 69 -17.697 -14.341 -23.159 1.00 0.00 N ATOM 1001 CA SER A 69 -17.679 -14.471 -24.611 1.00 0.00 C ATOM 1002 C SER A 69 -18.751 -15.448 -25.083 1.00 0.00 C ATOM 1003 O SER A 69 -18.663 -16.650 -24.836 1.00 0.00 O ATOM 1004 CB SER A 69 -16.301 -14.939 -25.085 1.00 0.00 C ATOM 1005 OG SER A 69 -15.276 -14.104 -24.577 1.00 0.00 O ATOM 0 H SER A 69 -17.606 -15.223 -22.655 1.00 0.00 H new ATOM 0 HA SER A 69 -17.890 -13.492 -25.041 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.131 -15.966 -24.762 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.268 -14.938 -26.175 1.00 0.00 H new ATOM 0 HG SER A 69 -14.406 -14.425 -24.893 1.00 0.00 H new ATOM 1011 N GLY A 70 -19.764 -14.922 -25.765 1.00 0.00 N ATOM 1012 CA GLY A 70 -20.840 -15.760 -26.261 1.00 0.00 C ATOM 1013 C GLY A 70 -21.572 -15.133 -27.430 1.00 0.00 C ATOM 1014 O GLY A 70 -21.787 -15.778 -28.455 1.00 0.00 O ATOM 0 H GLY A 70 -19.859 -13.930 -25.983 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -20.434 -16.725 -26.566 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.548 -15.953 -25.454 1.00 0.00 H new TER 1018 GLY A 70