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 180:sc= -0.135 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.0591 K(o=-0.19,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.4 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -120:sc= 0.207 USER MOD Single : A 16 ASN : amide:sc= -0.0819 K(o=-0.082,f=-3.5!) USER MOD Single : A 17 TYR OH : rot 81:sc= 0.0168 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.023) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.429 K(o=-0.43,f=-2.4!) USER MOD Single : A 22 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.107 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) USER MOD Single : A 41 SER OG : rot 14:sc= 0.363 USER MOD Single : A 48 THR OG1 : rot -59:sc= 1.4 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc=-0.00681 X(o=-0.0068,f=-0.36) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00768 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 10.765 -1.186 -23.475 1.00 0.00 N ATOM 2 CA GLY A 1 11.025 -1.904 -22.241 1.00 0.00 C ATOM 3 C GLY A 1 9.794 -2.613 -21.713 1.00 0.00 C ATOM 4 O GLY A 1 9.348 -2.348 -20.597 1.00 0.00 O ATOM 0 H1 GLY A 1 11.637 -0.719 -23.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.443 -1.854 -24.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.029 -0.470 -23.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.817 -2.634 -22.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.390 -1.206 -21.488 1.00 0.00 H new ATOM 8 N SER A 2 9.242 -3.516 -22.517 1.00 0.00 N ATOM 9 CA SER A 2 8.051 -4.261 -22.126 1.00 0.00 C ATOM 10 C SER A 2 8.406 -5.380 -21.151 1.00 0.00 C ATOM 11 O SER A 2 9.046 -6.363 -21.524 1.00 0.00 O ATOM 12 CB SER A 2 7.361 -4.845 -23.361 1.00 0.00 C ATOM 13 OG SER A 2 6.199 -5.571 -23.000 1.00 0.00 O ATOM 0 H SER A 2 9.600 -3.749 -23.443 1.00 0.00 H new ATOM 0 HA SER A 2 7.368 -3.572 -21.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.093 -4.041 -24.046 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.052 -5.499 -23.892 1.00 0.00 H new ATOM 0 HG SER A 2 5.776 -5.933 -23.806 1.00 0.00 H new ATOM 19 N SER A 3 7.985 -5.222 -19.900 1.00 0.00 N ATOM 20 CA SER A 3 8.261 -6.215 -18.870 1.00 0.00 C ATOM 21 C SER A 3 7.725 -7.584 -19.278 1.00 0.00 C ATOM 22 O SER A 3 8.488 -8.478 -19.642 1.00 0.00 O ATOM 23 CB SER A 3 7.639 -5.787 -17.539 1.00 0.00 C ATOM 24 OG SER A 3 8.201 -4.570 -17.081 1.00 0.00 O ATOM 0 H SER A 3 7.451 -4.415 -19.576 1.00 0.00 H new ATOM 0 HA SER A 3 9.342 -6.288 -18.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.562 -5.672 -17.658 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.796 -6.567 -16.794 1.00 0.00 H new ATOM 0 HG SER A 3 7.785 -4.318 -16.230 1.00 0.00 H new ATOM 30 N GLY A 4 6.406 -7.741 -19.213 1.00 0.00 N ATOM 31 CA GLY A 4 5.790 -9.003 -19.578 1.00 0.00 C ATOM 32 C GLY A 4 4.486 -9.245 -18.843 1.00 0.00 C ATOM 33 O GLY A 4 4.060 -8.421 -18.034 1.00 0.00 O ATOM 0 H GLY A 4 5.753 -7.016 -18.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.606 -9.017 -20.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.482 -9.817 -19.362 1.00 0.00 H new ATOM 37 N SER A 5 3.851 -10.377 -19.127 1.00 0.00 N ATOM 38 CA SER A 5 2.585 -10.723 -18.491 1.00 0.00 C ATOM 39 C SER A 5 2.811 -11.646 -17.297 1.00 0.00 C ATOM 40 O SER A 5 3.194 -12.804 -17.457 1.00 0.00 O ATOM 41 CB SER A 5 1.651 -11.395 -19.499 1.00 0.00 C ATOM 42 OG SER A 5 2.285 -12.495 -20.128 1.00 0.00 O ATOM 0 H SER A 5 4.192 -11.070 -19.793 1.00 0.00 H new ATOM 0 HA SER A 5 2.122 -9.803 -18.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.747 -11.733 -18.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.342 -10.670 -20.252 1.00 0.00 H new ATOM 0 HG SER A 5 2.801 -12.998 -19.464 1.00 0.00 H new ATOM 48 N SER A 6 2.571 -11.122 -16.099 1.00 0.00 N ATOM 49 CA SER A 6 2.752 -11.896 -14.876 1.00 0.00 C ATOM 50 C SER A 6 1.407 -12.199 -14.221 1.00 0.00 C ATOM 51 O SER A 6 0.414 -11.519 -14.474 1.00 0.00 O ATOM 52 CB SER A 6 3.650 -11.139 -13.896 1.00 0.00 C ATOM 53 OG SER A 6 4.618 -10.366 -14.584 1.00 0.00 O ATOM 0 H SER A 6 2.251 -10.165 -15.949 1.00 0.00 H new ATOM 0 HA SER A 6 3.229 -12.840 -15.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.041 -10.489 -13.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.149 -11.847 -13.234 1.00 0.00 H new ATOM 0 HG SER A 6 5.178 -9.891 -13.935 1.00 0.00 H new ATOM 59 N GLY A 7 1.385 -13.226 -13.377 1.00 0.00 N ATOM 60 CA GLY A 7 0.159 -13.602 -12.698 1.00 0.00 C ATOM 61 C GLY A 7 -0.062 -12.815 -11.422 1.00 0.00 C ATOM 62 O GLY A 7 0.396 -13.214 -10.350 1.00 0.00 O ATOM 0 H GLY A 7 2.194 -13.804 -13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.686 -13.446 -13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.189 -14.666 -12.464 1.00 0.00 H new ATOM 66 N LEU A 8 -0.764 -11.693 -11.535 1.00 0.00 N ATOM 67 CA LEU A 8 -1.044 -10.846 -10.380 1.00 0.00 C ATOM 68 C LEU A 8 -2.404 -10.168 -10.519 1.00 0.00 C ATOM 69 O LEU A 8 -2.853 -9.879 -11.627 1.00 0.00 O ATOM 70 CB LEU A 8 0.051 -9.790 -10.220 1.00 0.00 C ATOM 71 CG LEU A 8 1.482 -10.318 -10.111 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.483 -9.189 -10.300 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.696 -11.006 -8.771 1.00 0.00 C ATOM 0 H LEU A 8 -1.150 -11.348 -12.414 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.063 -11.478 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.000 -9.110 -11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.167 -9.202 -9.329 1.00 0.00 H new ATOM 0 HG LEU A 8 1.640 -11.051 -10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.496 -9.583 -10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.345 -8.742 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.326 -8.431 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.720 -11.375 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.519 -10.295 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.003 -11.842 -8.676 1.00 0.00 H new ATOM 85 N GLU A 9 -3.052 -9.916 -9.386 1.00 0.00 N ATOM 86 CA GLU A 9 -4.360 -9.271 -9.382 1.00 0.00 C ATOM 87 C GLU A 9 -4.217 -7.752 -9.331 1.00 0.00 C ATOM 88 O GLU A 9 -3.590 -7.209 -8.421 1.00 0.00 O ATOM 89 CB GLU A 9 -5.189 -9.757 -8.192 1.00 0.00 C ATOM 90 CG GLU A 9 -5.351 -11.267 -8.138 1.00 0.00 C ATOM 91 CD GLU A 9 -5.681 -11.769 -6.746 1.00 0.00 C ATOM 92 OE1 GLU A 9 -5.116 -11.231 -5.771 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.505 -12.700 -6.632 1.00 0.00 O ATOM 0 H GLU A 9 -2.693 -10.148 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.872 -9.539 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.718 -9.418 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.176 -9.296 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.141 -11.569 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.431 -11.740 -8.482 1.00 0.00 H new ATOM 100 N GLN A 10 -4.802 -7.075 -10.313 1.00 0.00 N ATOM 101 CA GLN A 10 -4.739 -5.620 -10.381 1.00 0.00 C ATOM 102 C GLN A 10 -5.881 -4.988 -9.593 1.00 0.00 C ATOM 103 O GLN A 10 -7.052 -5.162 -9.931 1.00 0.00 O ATOM 104 CB GLN A 10 -4.788 -5.153 -11.836 1.00 0.00 C ATOM 105 CG GLN A 10 -3.646 -5.688 -12.686 1.00 0.00 C ATOM 106 CD GLN A 10 -3.996 -5.753 -14.160 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.777 -6.770 -14.818 1.00 0.00 O ATOM 108 NE2 GLN A 10 -4.543 -4.663 -14.687 1.00 0.00 N ATOM 0 H GLN A 10 -5.325 -7.511 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.796 -5.302 -9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.735 -5.464 -12.277 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.768 -4.063 -11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.770 -5.053 -12.552 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.374 -6.684 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.707 -3.842 -14.104 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.799 -4.647 -15.674 1.00 0.00 H new ATOM 117 N TYR A 11 -5.534 -4.256 -8.541 1.00 0.00 N ATOM 118 CA TYR A 11 -6.531 -3.600 -7.703 1.00 0.00 C ATOM 119 C TYR A 11 -6.548 -2.095 -7.952 1.00 0.00 C ATOM 120 O TYR A 11 -5.515 -1.489 -8.237 1.00 0.00 O ATOM 121 CB TYR A 11 -6.250 -3.881 -6.225 1.00 0.00 C ATOM 122 CG TYR A 11 -6.860 -5.171 -5.727 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.601 -6.377 -6.367 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.694 -5.185 -4.616 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.157 -7.559 -5.916 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.253 -6.362 -4.157 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.982 -7.546 -4.810 1.00 0.00 C ATOM 128 OH TYR A 11 -8.536 -8.721 -4.357 1.00 0.00 O ATOM 0 H TYR A 11 -4.569 -4.102 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.509 -4.004 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.172 -3.915 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.633 -3.054 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.954 -6.391 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.909 -4.260 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.947 -8.487 -6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.899 -6.355 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.090 -8.539 -3.570 1.00 0.00 H new ATOM 138 N VAL A 12 -7.730 -1.497 -7.842 1.00 0.00 N ATOM 139 CA VAL A 12 -7.884 -0.063 -8.053 1.00 0.00 C ATOM 140 C VAL A 12 -7.923 0.687 -6.726 1.00 0.00 C ATOM 141 O VAL A 12 -8.526 0.225 -5.757 1.00 0.00 O ATOM 142 CB VAL A 12 -9.165 0.253 -8.847 1.00 0.00 C ATOM 143 CG1 VAL A 12 -9.324 1.755 -9.029 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.146 -0.456 -10.193 1.00 0.00 C ATOM 0 H VAL A 12 -8.595 -1.984 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.019 0.267 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.022 -0.113 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.235 1.959 -9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.386 2.235 -8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.465 2.149 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.059 -0.221 -10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.282 -0.122 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.084 -1.533 -10.036 1.00 0.00 H new ATOM 154 N VAL A 13 -7.277 1.848 -6.689 1.00 0.00 N ATOM 155 CA VAL A 13 -7.239 2.664 -5.482 1.00 0.00 C ATOM 156 C VAL A 13 -8.593 3.311 -5.213 1.00 0.00 C ATOM 157 O VAL A 13 -9.321 3.662 -6.142 1.00 0.00 O ATOM 158 CB VAL A 13 -6.167 3.765 -5.582 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.103 4.568 -4.291 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.811 3.160 -5.910 1.00 0.00 C ATOM 0 H VAL A 13 -6.773 2.245 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.988 1.997 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.442 4.443 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.340 5.341 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.071 5.033 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.852 3.906 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.066 3.952 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.526 2.459 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.868 2.634 -6.863 1.00 0.00 H new ATOM 170 N VAL A 14 -8.925 3.466 -3.935 1.00 0.00 N ATOM 171 CA VAL A 14 -10.192 4.073 -3.543 1.00 0.00 C ATOM 172 C VAL A 14 -9.970 5.431 -2.886 1.00 0.00 C ATOM 173 O VAL A 14 -10.839 6.302 -2.930 1.00 0.00 O ATOM 174 CB VAL A 14 -10.972 3.166 -2.573 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.456 1.913 -3.285 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.110 2.807 -1.371 1.00 0.00 C ATOM 0 H VAL A 14 -8.335 3.180 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.776 4.205 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.845 3.712 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.005 1.285 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.111 2.193 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.600 1.361 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.676 2.166 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.217 2.280 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.818 3.717 -0.847 1.00 0.00 H new ATOM 186 N SER A 15 -8.802 5.604 -2.277 1.00 0.00 N ATOM 187 CA SER A 15 -8.467 6.855 -1.607 1.00 0.00 C ATOM 188 C SER A 15 -6.998 7.210 -1.821 1.00 0.00 C ATOM 189 O SER A 15 -6.151 6.330 -1.965 1.00 0.00 O ATOM 190 CB SER A 15 -8.766 6.753 -0.111 1.00 0.00 C ATOM 191 OG SER A 15 -8.281 7.888 0.585 1.00 0.00 O ATOM 0 H SER A 15 -8.071 4.894 -2.234 1.00 0.00 H new ATOM 0 HA SER A 15 -9.080 7.645 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.841 6.660 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.307 5.851 0.294 1.00 0.00 H new ATOM 0 HG SER A 15 -7.626 7.605 1.257 1.00 0.00 H new ATOM 197 N ASN A 16 -6.705 8.506 -1.840 1.00 0.00 N ATOM 198 CA ASN A 16 -5.340 8.978 -2.036 1.00 0.00 C ATOM 199 C ASN A 16 -4.487 8.707 -0.800 1.00 0.00 C ATOM 200 O ASN A 16 -4.695 9.308 0.254 1.00 0.00 O ATOM 201 CB ASN A 16 -5.336 10.475 -2.353 1.00 0.00 C ATOM 202 CG ASN A 16 -6.004 11.298 -1.268 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.208 11.183 -1.039 1.00 0.00 O ATOM 204 ND2 ASN A 16 -5.222 12.133 -0.594 1.00 0.00 N ATOM 0 H ASN A 16 -7.395 9.248 -1.722 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.912 8.434 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.308 10.814 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.848 10.644 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.614 12.712 0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.229 12.195 -0.818 1.00 0.00 H new ATOM 211 N TYR A 17 -3.527 7.800 -0.938 1.00 0.00 N ATOM 212 CA TYR A 17 -2.644 7.448 0.167 1.00 0.00 C ATOM 213 C TYR A 17 -1.423 8.362 0.202 1.00 0.00 C ATOM 214 O TYR A 17 -0.930 8.800 -0.838 1.00 0.00 O ATOM 215 CB TYR A 17 -2.199 5.989 0.047 1.00 0.00 C ATOM 216 CG TYR A 17 -1.634 5.421 1.329 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.467 4.865 2.292 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.267 5.439 1.577 1.00 0.00 C ATOM 219 CE1 TYR A 17 -1.954 4.345 3.466 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.254 4.921 2.746 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.593 4.375 3.688 1.00 0.00 C ATOM 222 OH TYR A 17 -0.079 3.858 4.855 1.00 0.00 O ATOM 0 H TYR A 17 -3.340 7.295 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.199 7.577 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.050 5.383 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.447 5.911 -0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.533 4.839 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.400 5.866 0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.615 3.918 4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.319 4.943 2.922 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.005 2.884 4.777 1.00 0.00 H new ATOM 232 N LYS A 18 -0.939 8.646 1.406 1.00 0.00 N ATOM 233 CA LYS A 18 0.225 9.506 1.580 1.00 0.00 C ATOM 234 C LYS A 18 1.244 8.861 2.514 1.00 0.00 C ATOM 235 O LYS A 18 0.938 8.554 3.666 1.00 0.00 O ATOM 236 CB LYS A 18 -0.199 10.868 2.133 1.00 0.00 C ATOM 237 CG LYS A 18 -0.687 11.834 1.067 1.00 0.00 C ATOM 238 CD LYS A 18 -0.789 13.252 1.602 1.00 0.00 C ATOM 239 CE LYS A 18 0.555 13.962 1.560 1.00 0.00 C ATOM 240 NZ LYS A 18 0.904 14.406 0.181 1.00 0.00 N ATOM 0 H LYS A 18 -1.335 8.293 2.277 1.00 0.00 H new ATOM 0 HA LYS A 18 0.690 9.646 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.990 10.722 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.645 11.316 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.005 11.813 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.662 11.511 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.516 13.812 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.158 13.229 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.531 14.826 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.331 13.294 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.756 15.001 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.085 13.574 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.115 14.953 -0.218 1.00 0.00 H new ATOM 254 N LYS A 19 2.457 8.659 2.010 1.00 0.00 N ATOM 255 CA LYS A 19 3.523 8.054 2.800 1.00 0.00 C ATOM 256 C LYS A 19 3.919 8.957 3.963 1.00 0.00 C ATOM 257 O LYS A 19 3.723 10.171 3.911 1.00 0.00 O ATOM 258 CB LYS A 19 4.742 7.774 1.919 1.00 0.00 C ATOM 259 CG LYS A 19 5.394 9.029 1.366 1.00 0.00 C ATOM 260 CD LYS A 19 6.467 9.559 2.302 1.00 0.00 C ATOM 261 CE LYS A 19 7.547 10.313 1.541 1.00 0.00 C ATOM 262 NZ LYS A 19 7.146 11.719 1.257 1.00 0.00 N ATOM 0 H LYS A 19 2.726 8.906 1.058 1.00 0.00 H new ATOM 0 HA LYS A 19 3.151 7.113 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.478 7.217 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.441 7.135 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.834 8.813 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.635 9.796 1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.013 10.219 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.917 8.730 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.470 10.309 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.757 9.799 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.908 12.199 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.279 11.723 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.970 12.218 2.153 1.00 0.00 H new ATOM 276 N GLN A 20 4.478 8.357 5.009 1.00 0.00 N ATOM 277 CA GLN A 20 4.903 9.109 6.184 1.00 0.00 C ATOM 278 C GLN A 20 6.382 8.878 6.473 1.00 0.00 C ATOM 279 O GLN A 20 7.211 9.763 6.261 1.00 0.00 O ATOM 280 CB GLN A 20 4.065 8.712 7.400 1.00 0.00 C ATOM 281 CG GLN A 20 2.719 9.416 7.468 1.00 0.00 C ATOM 282 CD GLN A 20 2.842 10.874 7.863 1.00 0.00 C ATOM 283 OE1 GLN A 20 3.359 11.693 7.103 1.00 0.00 O ATOM 284 NE2 GLN A 20 2.367 11.206 9.057 1.00 0.00 N ATOM 0 H GLN A 20 4.647 7.353 5.067 1.00 0.00 H new ATOM 0 HA GLN A 20 4.754 10.169 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.901 7.634 7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.628 8.934 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.228 9.347 6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.080 8.902 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.946 10.494 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.423 12.173 9.377 1.00 0.00 H new ATOM 293 N GLU A 21 6.705 7.683 6.958 1.00 0.00 N ATOM 294 CA GLU A 21 8.086 7.337 7.277 1.00 0.00 C ATOM 295 C GLU A 21 8.469 5.999 6.652 1.00 0.00 C ATOM 296 O GLU A 21 9.255 5.945 5.708 1.00 0.00 O ATOM 297 CB GLU A 21 8.283 7.280 8.793 1.00 0.00 C ATOM 298 CG GLU A 21 9.647 6.757 9.210 1.00 0.00 C ATOM 299 CD GLU A 21 9.880 6.861 10.705 1.00 0.00 C ATOM 300 OE1 GLU A 21 9.362 6.001 11.448 1.00 0.00 O ATOM 301 OE2 GLU A 21 10.581 7.803 11.131 1.00 0.00 O ATOM 0 H GLU A 21 6.031 6.939 7.138 1.00 0.00 H new ATOM 0 HA GLU A 21 8.733 8.110 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.144 8.279 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.511 6.645 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.742 5.715 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.422 7.316 8.686 1.00 0.00 H new ATOM 308 N ASN A 22 7.908 4.920 7.188 1.00 0.00 N ATOM 309 CA ASN A 22 8.191 3.581 6.685 1.00 0.00 C ATOM 310 C ASN A 22 7.962 3.506 5.178 1.00 0.00 C ATOM 311 O ASN A 22 7.334 4.387 4.591 1.00 0.00 O ATOM 312 CB ASN A 22 7.314 2.549 7.397 1.00 0.00 C ATOM 313 CG ASN A 22 5.844 2.712 7.064 1.00 0.00 C ATOM 314 OD1 ASN A 22 5.278 3.794 7.216 1.00 0.00 O ATOM 315 ND2 ASN A 22 5.218 1.633 6.608 1.00 0.00 N ATOM 0 H ASN A 22 7.255 4.947 7.971 1.00 0.00 H new ATOM 0 HA ASN A 22 9.239 3.359 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.638 1.546 7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.452 2.640 8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.228 1.681 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.727 0.756 6.498 1.00 0.00 H new ATOM 322 N SER A 23 8.475 2.448 4.559 1.00 0.00 N ATOM 323 CA SER A 23 8.329 2.259 3.120 1.00 0.00 C ATOM 324 C SER A 23 6.856 2.185 2.729 1.00 0.00 C ATOM 325 O SER A 23 6.191 1.177 2.964 1.00 0.00 O ATOM 326 CB SER A 23 9.052 0.986 2.676 1.00 0.00 C ATOM 327 OG SER A 23 10.456 1.124 2.807 1.00 0.00 O ATOM 0 H SER A 23 8.995 1.708 5.031 1.00 0.00 H new ATOM 0 HA SER A 23 8.777 3.116 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.709 0.142 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.801 0.764 1.639 1.00 0.00 H new ATOM 0 HG SER A 23 10.894 0.296 2.518 1.00 0.00 H new ATOM 333 N GLU A 24 6.355 3.260 2.130 1.00 0.00 N ATOM 334 CA GLU A 24 4.961 3.318 1.706 1.00 0.00 C ATOM 335 C GLU A 24 4.825 4.060 0.380 1.00 0.00 C ATOM 336 O GLU A 24 5.559 5.012 0.110 1.00 0.00 O ATOM 337 CB GLU A 24 4.107 4.002 2.776 1.00 0.00 C ATOM 338 CG GLU A 24 4.012 3.217 4.073 1.00 0.00 C ATOM 339 CD GLU A 24 3.310 3.990 5.172 1.00 0.00 C ATOM 340 OE1 GLU A 24 3.156 5.221 5.026 1.00 0.00 O ATOM 341 OE2 GLU A 24 2.914 3.365 6.178 1.00 0.00 O ATOM 0 H GLU A 24 6.893 4.102 1.927 1.00 0.00 H new ATOM 0 HA GLU A 24 4.608 2.296 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.524 4.987 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.103 4.159 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.477 2.285 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.015 2.949 4.406 1.00 0.00 H new ATOM 348 N LEU A 25 3.883 3.617 -0.446 1.00 0.00 N ATOM 349 CA LEU A 25 3.650 4.238 -1.745 1.00 0.00 C ATOM 350 C LEU A 25 2.475 5.208 -1.682 1.00 0.00 C ATOM 351 O LEU A 25 1.338 4.805 -1.434 1.00 0.00 O ATOM 352 CB LEU A 25 3.387 3.167 -2.804 1.00 0.00 C ATOM 353 CG LEU A 25 4.622 2.473 -3.379 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.216 1.404 -4.382 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.552 3.489 -4.027 1.00 0.00 C ATOM 0 H LEU A 25 3.268 2.830 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 25 4.544 4.798 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.737 2.407 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.837 3.625 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 25 5.157 1.990 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.108 0.921 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.591 0.660 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.657 1.864 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.426 2.977 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.027 4.001 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.871 4.218 -3.282 1.00 0.00 H new ATOM 367 N SER A 26 2.756 6.486 -1.912 1.00 0.00 N ATOM 368 CA SER A 26 1.722 7.514 -1.880 1.00 0.00 C ATOM 369 C SER A 26 0.835 7.430 -3.119 1.00 0.00 C ATOM 370 O SER A 26 0.978 8.219 -4.054 1.00 0.00 O ATOM 371 CB SER A 26 2.356 8.903 -1.786 1.00 0.00 C ATOM 372 OG SER A 26 3.477 8.894 -0.919 1.00 0.00 O ATOM 0 H SER A 26 3.691 6.835 -2.123 1.00 0.00 H new ATOM 0 HA SER A 26 1.103 7.345 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.662 9.234 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.618 9.619 -1.424 1.00 0.00 H new ATOM 0 HG SER A 26 3.865 9.793 -0.877 1.00 0.00 H new ATOM 378 N LEU A 27 -0.082 6.469 -3.118 1.00 0.00 N ATOM 379 CA LEU A 27 -0.994 6.281 -4.241 1.00 0.00 C ATOM 380 C LEU A 27 -2.005 7.421 -4.319 1.00 0.00 C ATOM 381 O LEU A 27 -2.038 8.293 -3.451 1.00 0.00 O ATOM 382 CB LEU A 27 -1.726 4.944 -4.111 1.00 0.00 C ATOM 383 CG LEU A 27 -0.893 3.771 -3.591 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.709 2.488 -3.607 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.375 3.609 -4.417 1.00 0.00 C ATOM 0 H LEU A 27 -0.214 5.808 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.405 6.279 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.578 5.082 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.126 4.675 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.607 3.983 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.100 1.665 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.587 2.607 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.026 2.271 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.955 2.770 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.110 3.421 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.970 4.520 -4.353 1.00 0.00 H new ATOM 397 N GLN A 28 -2.828 7.405 -5.362 1.00 0.00 N ATOM 398 CA GLN A 28 -3.841 8.437 -5.552 1.00 0.00 C ATOM 399 C GLN A 28 -5.150 7.830 -6.045 1.00 0.00 C ATOM 400 O GLN A 28 -5.151 6.822 -6.750 1.00 0.00 O ATOM 401 CB GLN A 28 -3.346 9.490 -6.545 1.00 0.00 C ATOM 402 CG GLN A 28 -4.126 10.794 -6.487 1.00 0.00 C ATOM 403 CD GLN A 28 -3.567 11.849 -7.420 1.00 0.00 C ATOM 404 OE1 GLN A 28 -3.582 11.686 -8.641 1.00 0.00 O ATOM 405 NE2 GLN A 28 -3.070 12.941 -6.851 1.00 0.00 N ATOM 0 H GLN A 28 -2.814 6.689 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.024 8.914 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.294 9.696 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.408 9.083 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.168 10.602 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.115 11.175 -5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.077 13.035 -5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.681 13.685 -7.430 1.00 0.00 H new ATOM 414 N ALA A 29 -6.263 8.451 -5.669 1.00 0.00 N ATOM 415 CA ALA A 29 -7.579 7.974 -6.074 1.00 0.00 C ATOM 416 C ALA A 29 -7.660 7.806 -7.588 1.00 0.00 C ATOM 417 O ALA A 29 -7.416 8.749 -8.340 1.00 0.00 O ATOM 418 CB ALA A 29 -8.660 8.928 -5.589 1.00 0.00 C ATOM 0 H ALA A 29 -6.279 9.286 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.740 6.998 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.637 8.558 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.626 8.994 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.493 9.916 -6.018 1.00 0.00 H new ATOM 424 N GLY A 30 -8.003 6.599 -8.028 1.00 0.00 N ATOM 425 CA GLY A 30 -8.109 6.331 -9.450 1.00 0.00 C ATOM 426 C GLY A 30 -6.927 5.543 -9.981 1.00 0.00 C ATOM 427 O GLY A 30 -7.009 4.931 -11.045 1.00 0.00 O ATOM 0 H GLY A 30 -8.209 5.803 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.028 5.778 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.185 7.275 -9.990 1.00 0.00 H new ATOM 431 N GLU A 31 -5.825 5.559 -9.237 1.00 0.00 N ATOM 432 CA GLU A 31 -4.621 4.842 -9.641 1.00 0.00 C ATOM 433 C GLU A 31 -4.841 3.333 -9.585 1.00 0.00 C ATOM 434 O GLU A 31 -5.783 2.855 -8.952 1.00 0.00 O ATOM 435 CB GLU A 31 -3.444 5.231 -8.744 1.00 0.00 C ATOM 436 CG GLU A 31 -2.092 5.111 -9.428 1.00 0.00 C ATOM 437 CD GLU A 31 -2.015 5.914 -10.712 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.732 6.931 -10.820 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.239 5.525 -11.610 1.00 0.00 O ATOM 0 H GLU A 31 -5.741 6.060 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.392 5.120 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.580 6.258 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.450 4.599 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.312 5.449 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.892 4.062 -9.647 1.00 0.00 H new ATOM 446 N VAL A 32 -3.966 2.588 -10.252 1.00 0.00 N ATOM 447 CA VAL A 32 -4.064 1.133 -10.278 1.00 0.00 C ATOM 448 C VAL A 32 -2.735 0.487 -9.905 1.00 0.00 C ATOM 449 O VAL A 32 -1.668 0.974 -10.279 1.00 0.00 O ATOM 450 CB VAL A 32 -4.497 0.625 -11.666 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.578 -0.894 -11.677 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.830 1.240 -12.066 1.00 0.00 C ATOM 0 H VAL A 32 -3.181 2.967 -10.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.820 0.853 -9.544 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.747 0.931 -12.396 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.885 -1.235 -12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.601 -1.312 -11.437 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.306 -1.225 -10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.121 0.870 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.591 0.966 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.734 2.325 -12.100 1.00 0.00 H new ATOM 462 N VAL A 33 -2.806 -0.615 -9.164 1.00 0.00 N ATOM 463 CA VAL A 33 -1.608 -1.330 -8.741 1.00 0.00 C ATOM 464 C VAL A 33 -1.764 -2.833 -8.947 1.00 0.00 C ATOM 465 O VAL A 33 -2.836 -3.311 -9.318 1.00 0.00 O ATOM 466 CB VAL A 33 -1.286 -1.057 -7.259 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.116 0.434 -7.016 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.373 -1.632 -6.363 1.00 0.00 C ATOM 0 H VAL A 33 -3.681 -1.031 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.787 -0.965 -9.357 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.346 -1.550 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.889 0.608 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.299 0.812 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.038 0.953 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.129 -1.430 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.329 -1.170 -6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.440 -2.709 -6.518 1.00 0.00 H new ATOM 478 N ASP A 34 -0.688 -3.572 -8.703 1.00 0.00 N ATOM 479 CA ASP A 34 -0.704 -5.022 -8.861 1.00 0.00 C ATOM 480 C ASP A 34 -0.335 -5.715 -7.553 1.00 0.00 C ATOM 481 O ASP A 34 0.805 -5.634 -7.096 1.00 0.00 O ATOM 482 CB ASP A 34 0.261 -5.447 -9.968 1.00 0.00 C ATOM 483 CG ASP A 34 -0.291 -5.177 -11.354 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.239 -4.010 -11.797 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.776 -6.132 -11.995 1.00 0.00 O ATOM 0 H ASP A 34 0.207 -3.191 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.715 -5.321 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.205 -4.916 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.478 -6.510 -9.868 1.00 0.00 H new ATOM 490 N VAL A 35 -1.308 -6.395 -6.954 1.00 0.00 N ATOM 491 CA VAL A 35 -1.085 -7.102 -5.699 1.00 0.00 C ATOM 492 C VAL A 35 -0.208 -8.332 -5.909 1.00 0.00 C ATOM 493 O VAL A 35 -0.551 -9.227 -6.681 1.00 0.00 O ATOM 494 CB VAL A 35 -2.416 -7.538 -5.057 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.172 -8.150 -3.686 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.372 -6.359 -4.961 1.00 0.00 C ATOM 0 H VAL A 35 -2.258 -6.471 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.577 -6.407 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.874 -8.297 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.123 -8.452 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.526 -9.022 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.692 -7.415 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.307 -6.685 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.924 -5.576 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.571 -5.970 -5.960 1.00 0.00 H new ATOM 506 N ILE A 36 0.925 -8.369 -5.215 1.00 0.00 N ATOM 507 CA ILE A 36 1.850 -9.489 -5.324 1.00 0.00 C ATOM 508 C ILE A 36 1.684 -10.455 -4.156 1.00 0.00 C ATOM 509 O ILE A 36 1.464 -11.650 -4.353 1.00 0.00 O ATOM 510 CB ILE A 36 3.313 -9.009 -5.374 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.509 -8.023 -6.528 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.255 -10.194 -5.517 1.00 0.00 C ATOM 513 CD1 ILE A 36 4.875 -7.372 -6.540 1.00 0.00 C ATOM 0 H ILE A 36 1.224 -7.636 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 36 1.613 -10.004 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 36 3.544 -8.497 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.356 -8.546 -7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.746 -7.247 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.285 -9.838 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.130 -10.863 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.026 -10.732 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.944 -6.686 -7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.024 -6.821 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.643 -8.140 -6.633 1.00 0.00 H new ATOM 525 N GLU A 37 1.791 -9.929 -2.940 1.00 0.00 N ATOM 526 CA GLU A 37 1.651 -10.745 -1.740 1.00 0.00 C ATOM 527 C GLU A 37 0.598 -10.160 -0.803 1.00 0.00 C ATOM 528 O GLU A 37 0.211 -8.998 -0.934 1.00 0.00 O ATOM 529 CB GLU A 37 2.992 -10.855 -1.012 1.00 0.00 C ATOM 530 CG GLU A 37 3.834 -12.037 -1.462 1.00 0.00 C ATOM 531 CD GLU A 37 4.743 -11.695 -2.627 1.00 0.00 C ATOM 532 OE1 GLU A 37 5.513 -10.719 -2.511 1.00 0.00 O ATOM 533 OE2 GLU A 37 4.685 -12.404 -3.653 1.00 0.00 O ATOM 0 H GLU A 37 1.974 -8.942 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 37 1.328 -11.740 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.557 -9.936 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.809 -10.937 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.438 -12.388 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.177 -12.859 -1.747 1.00 0.00 H new ATOM 540 N LYS A 38 0.137 -10.973 0.141 1.00 0.00 N ATOM 541 CA LYS A 38 -0.870 -10.538 1.101 1.00 0.00 C ATOM 542 C LYS A 38 -0.511 -10.994 2.512 1.00 0.00 C ATOM 543 O LYS A 38 -0.217 -12.167 2.738 1.00 0.00 O ATOM 544 CB LYS A 38 -2.245 -11.086 0.711 1.00 0.00 C ATOM 545 CG LYS A 38 -2.717 -10.628 -0.658 1.00 0.00 C ATOM 546 CD LYS A 38 -3.893 -11.456 -1.148 1.00 0.00 C ATOM 547 CE LYS A 38 -3.954 -11.493 -2.667 1.00 0.00 C ATOM 548 NZ LYS A 38 -3.225 -12.667 -3.223 1.00 0.00 N ATOM 0 H LYS A 38 0.445 -11.938 0.262 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.902 -9.449 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.211 -12.175 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.975 -10.778 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.004 -9.578 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.896 -10.703 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.810 -12.472 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.821 -11.040 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.995 -11.527 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.526 -10.575 -3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.290 -12.656 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.226 -12.622 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.650 -13.544 -2.859 1.00 0.00 H new ATOM 562 N ASN A 39 -0.538 -10.060 3.456 1.00 0.00 N ATOM 563 CA ASN A 39 -0.215 -10.367 4.845 1.00 0.00 C ATOM 564 C ASN A 39 -1.484 -10.480 5.685 1.00 0.00 C ATOM 565 O ASN A 39 -2.453 -9.755 5.465 1.00 0.00 O ATOM 566 CB ASN A 39 0.701 -9.289 5.427 1.00 0.00 C ATOM 567 CG ASN A 39 1.406 -9.749 6.688 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.519 -10.948 6.947 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.885 -8.797 7.480 1.00 0.00 N ATOM 0 H ASN A 39 -0.780 -9.084 3.285 1.00 0.00 H new ATOM 0 HA ASN A 39 0.303 -11.326 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.444 -9.006 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.114 -8.397 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.369 -9.047 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.769 -7.816 7.226 1.00 0.00 H new ATOM 576 N GLU A 40 -1.468 -11.396 6.649 1.00 0.00 N ATOM 577 CA GLU A 40 -2.617 -11.604 7.522 1.00 0.00 C ATOM 578 C GLU A 40 -2.919 -10.348 8.333 1.00 0.00 C ATOM 579 O GLU A 40 -4.067 -10.092 8.697 1.00 0.00 O ATOM 580 CB GLU A 40 -2.363 -12.784 8.463 1.00 0.00 C ATOM 581 CG GLU A 40 -1.273 -12.520 9.489 1.00 0.00 C ATOM 582 CD GLU A 40 -1.792 -11.806 10.721 1.00 0.00 C ATOM 583 OE1 GLU A 40 -2.980 -11.989 11.058 1.00 0.00 O ATOM 584 OE2 GLU A 40 -1.009 -11.063 11.349 1.00 0.00 O ATOM 0 H GLU A 40 -0.673 -12.005 6.845 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.481 -11.827 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.289 -13.029 8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.090 -13.658 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.822 -13.467 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.486 -11.921 9.031 1.00 0.00 H new ATOM 591 N SER A 41 -1.880 -9.568 8.614 1.00 0.00 N ATOM 592 CA SER A 41 -2.033 -8.340 9.386 1.00 0.00 C ATOM 593 C SER A 41 -2.994 -7.378 8.693 1.00 0.00 C ATOM 594 O SER A 41 -3.733 -6.644 9.347 1.00 0.00 O ATOM 595 CB SER A 41 -0.674 -7.666 9.584 1.00 0.00 C ATOM 596 OG SER A 41 0.075 -8.315 10.598 1.00 0.00 O ATOM 0 H SER A 41 -0.924 -9.764 8.319 1.00 0.00 H new ATOM 0 HA SER A 41 -2.448 -8.601 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.116 -7.684 8.648 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.819 -6.619 9.849 1.00 0.00 H new ATOM 0 HG SER A 41 -0.335 -9.181 10.804 1.00 0.00 H new ATOM 602 N GLY A 42 -2.977 -7.390 7.364 1.00 0.00 N ATOM 603 CA GLY A 42 -3.850 -6.515 6.603 1.00 0.00 C ATOM 604 C GLY A 42 -3.105 -5.733 5.540 1.00 0.00 C ATOM 605 O GLY A 42 -3.705 -5.254 4.578 1.00 0.00 O ATOM 0 H GLY A 42 -2.374 -7.990 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.632 -7.109 6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.344 -5.820 7.282 1.00 0.00 H new ATOM 609 N TRP A 43 -1.795 -5.602 5.714 1.00 0.00 N ATOM 610 CA TRP A 43 -0.967 -4.871 4.762 1.00 0.00 C ATOM 611 C TRP A 43 -0.696 -5.711 3.518 1.00 0.00 C ATOM 612 O TRP A 43 -0.216 -6.840 3.613 1.00 0.00 O ATOM 613 CB TRP A 43 0.355 -4.461 5.413 1.00 0.00 C ATOM 614 CG TRP A 43 0.211 -3.336 6.392 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.167 -3.432 7.701 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.442 -1.945 6.140 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.186 -2.184 8.277 1.00 0.00 N ATOM 618 CE2 TRP A 43 0.184 -1.256 7.341 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.842 -1.216 5.017 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.314 0.126 7.448 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.970 0.155 5.125 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.708 0.815 6.333 1.00 0.00 C ATOM 0 H TRP A 43 -1.283 -5.992 6.505 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.509 -3.974 4.461 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.784 -5.324 5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.060 -4.168 4.635 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.414 -4.353 8.209 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.435 -1.982 9.245 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.047 -1.715 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.111 0.636 8.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.277 0.729 4.263 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.819 1.888 6.385 1.00 0.00 H new ATOM 633 N TRP A 44 -1.006 -5.152 2.354 1.00 0.00 N ATOM 634 CA TRP A 44 -0.795 -5.851 1.091 1.00 0.00 C ATOM 635 C TRP A 44 0.415 -5.289 0.353 1.00 0.00 C ATOM 636 O TRP A 44 0.706 -4.096 0.437 1.00 0.00 O ATOM 637 CB TRP A 44 -2.041 -5.742 0.210 1.00 0.00 C ATOM 638 CG TRP A 44 -3.144 -6.669 0.623 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.389 -7.143 1.880 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.149 -7.237 -0.225 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.485 -7.970 1.865 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.970 -8.044 0.586 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.436 -7.140 -1.589 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -6.057 -8.749 0.076 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.514 -7.840 -2.094 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.315 -8.636 -1.263 1.00 0.00 C ATOM 0 H TRP A 44 -1.404 -4.218 2.258 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.606 -6.901 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.409 -4.716 0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.766 -5.954 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.806 -6.903 2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.875 -8.451 2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.826 -6.528 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.675 -9.363 0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.744 -7.773 -3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.152 -9.170 -1.688 1.00 0.00 H new ATOM 657 N PHE A 45 1.117 -6.156 -0.369 1.00 0.00 N ATOM 658 CA PHE A 45 2.297 -5.746 -1.122 1.00 0.00 C ATOM 659 C PHE A 45 1.966 -5.572 -2.601 1.00 0.00 C ATOM 660 O PHE A 45 1.890 -6.546 -3.350 1.00 0.00 O ATOM 661 CB PHE A 45 3.417 -6.774 -0.955 1.00 0.00 C ATOM 662 CG PHE A 45 4.699 -6.379 -1.630 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.257 -5.130 -1.411 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.347 -7.257 -2.485 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.436 -4.763 -2.030 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.527 -6.895 -3.107 1.00 0.00 C ATOM 667 CZ PHE A 45 7.072 -5.646 -2.880 1.00 0.00 C ATOM 0 H PHE A 45 0.889 -7.147 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 45 2.633 -4.787 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.607 -6.923 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.084 -7.731 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.764 -4.435 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.925 -8.234 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.860 -3.786 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.023 -7.588 -3.770 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.993 -5.361 -3.366 1.00 0.00 H new ATOM 677 N VAL A 46 1.768 -4.325 -3.015 1.00 0.00 N ATOM 678 CA VAL A 46 1.445 -4.022 -4.404 1.00 0.00 C ATOM 679 C VAL A 46 2.667 -3.498 -5.150 1.00 0.00 C ATOM 680 O VAL A 46 3.591 -2.956 -4.545 1.00 0.00 O ATOM 681 CB VAL A 46 0.311 -2.984 -4.504 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.932 -3.481 -3.783 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.765 -1.645 -3.942 1.00 0.00 C ATOM 0 H VAL A 46 1.826 -3.507 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 46 1.115 -4.954 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 46 0.060 -2.844 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.722 -2.735 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.266 -4.415 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.700 -3.650 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.048 -0.923 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.044 -1.765 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.625 -1.286 -4.507 1.00 0.00 H new ATOM 693 N SER A 47 2.663 -3.662 -6.469 1.00 0.00 N ATOM 694 CA SER A 47 3.773 -3.208 -7.299 1.00 0.00 C ATOM 695 C SER A 47 3.265 -2.406 -8.494 1.00 0.00 C ATOM 696 O SER A 47 2.404 -2.865 -9.245 1.00 0.00 O ATOM 697 CB SER A 47 4.596 -4.402 -7.785 1.00 0.00 C ATOM 698 OG SER A 47 5.268 -4.100 -8.996 1.00 0.00 O ATOM 0 H SER A 47 1.904 -4.106 -6.986 1.00 0.00 H new ATOM 0 HA SER A 47 4.407 -2.562 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.323 -4.681 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.943 -5.262 -7.933 1.00 0.00 H new ATOM 0 HG SER A 47 5.788 -4.879 -9.285 1.00 0.00 H new ATOM 704 N THR A 48 3.805 -1.203 -8.664 1.00 0.00 N ATOM 705 CA THR A 48 3.407 -0.336 -9.766 1.00 0.00 C ATOM 706 C THR A 48 4.535 -0.183 -10.780 1.00 0.00 C ATOM 707 O THR A 48 5.693 -0.480 -10.485 1.00 0.00 O ATOM 708 CB THR A 48 2.994 1.059 -9.261 1.00 0.00 C ATOM 709 OG1 THR A 48 4.150 1.792 -8.841 1.00 0.00 O ATOM 710 CG2 THR A 48 2.012 0.947 -8.104 1.00 0.00 C ATOM 0 H THR A 48 4.519 -0.807 -8.053 1.00 0.00 H new ATOM 0 HA THR A 48 2.551 -0.809 -10.247 1.00 0.00 H new ATOM 0 HB THR A 48 2.508 1.587 -10.081 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.608 1.300 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.735 1.945 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.120 0.415 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.477 0.401 -7.284 1.00 0.00 H new ATOM 718 N SER A 49 4.190 0.283 -11.976 1.00 0.00 N ATOM 719 CA SER A 49 5.174 0.472 -13.035 1.00 0.00 C ATOM 720 C SER A 49 6.314 1.370 -12.564 1.00 0.00 C ATOM 721 O SER A 49 7.435 1.281 -13.064 1.00 0.00 O ATOM 722 CB SER A 49 4.511 1.078 -14.274 1.00 0.00 C ATOM 723 OG SER A 49 3.813 2.268 -13.948 1.00 0.00 O ATOM 0 H SER A 49 3.237 0.537 -12.236 1.00 0.00 H new ATOM 0 HA SER A 49 5.586 -0.504 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.269 1.292 -15.028 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.821 0.356 -14.711 1.00 0.00 H new ATOM 0 HG SER A 49 3.400 2.637 -14.756 1.00 0.00 H new ATOM 729 N GLU A 50 6.017 2.235 -11.599 1.00 0.00 N ATOM 730 CA GLU A 50 7.016 3.150 -11.060 1.00 0.00 C ATOM 731 C GLU A 50 7.871 2.461 -10.001 1.00 0.00 C ATOM 732 O GLU A 50 9.064 2.236 -10.201 1.00 0.00 O ATOM 733 CB GLU A 50 6.339 4.385 -10.462 1.00 0.00 C ATOM 734 CG GLU A 50 5.557 5.202 -11.476 1.00 0.00 C ATOM 735 CD GLU A 50 4.949 6.453 -10.872 1.00 0.00 C ATOM 736 OE1 GLU A 50 4.539 6.405 -9.694 1.00 0.00 O ATOM 737 OE2 GLU A 50 4.883 7.481 -11.579 1.00 0.00 O ATOM 0 H GLU A 50 5.093 2.321 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 50 7.665 3.461 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.665 4.070 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.098 5.019 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.217 5.483 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.764 4.586 -11.900 1.00 0.00 H new ATOM 744 N GLU A 51 7.250 2.129 -8.873 1.00 0.00 N ATOM 745 CA GLU A 51 7.954 1.467 -7.781 1.00 0.00 C ATOM 746 C GLU A 51 7.031 0.499 -7.046 1.00 0.00 C ATOM 747 O GLU A 51 5.845 0.398 -7.360 1.00 0.00 O ATOM 748 CB GLU A 51 8.511 2.502 -6.801 1.00 0.00 C ATOM 749 CG GLU A 51 9.432 3.521 -7.450 1.00 0.00 C ATOM 750 CD GLU A 51 10.731 2.908 -7.934 1.00 0.00 C ATOM 751 OE1 GLU A 51 11.087 1.812 -7.453 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.393 3.525 -8.795 1.00 0.00 O ATOM 0 H GLU A 51 6.262 2.307 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 51 8.781 0.900 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.680 3.025 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.055 1.985 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.918 3.986 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.653 4.313 -6.735 1.00 0.00 H new ATOM 759 N GLN A 52 7.584 -0.209 -6.067 1.00 0.00 N ATOM 760 CA GLN A 52 6.811 -1.170 -5.288 1.00 0.00 C ATOM 761 C GLN A 52 6.831 -0.810 -3.806 1.00 0.00 C ATOM 762 O GLN A 52 7.822 -0.289 -3.297 1.00 0.00 O ATOM 763 CB GLN A 52 7.361 -2.583 -5.490 1.00 0.00 C ATOM 764 CG GLN A 52 7.615 -2.934 -6.947 1.00 0.00 C ATOM 765 CD GLN A 52 8.095 -4.361 -7.128 1.00 0.00 C ATOM 766 OE1 GLN A 52 8.198 -5.120 -6.164 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.391 -4.733 -8.368 1.00 0.00 N ATOM 0 H GLN A 52 8.564 -0.136 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 52 5.779 -1.137 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.292 -2.685 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.658 -3.301 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.698 -2.788 -7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.358 -2.250 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.291 -4.070 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.719 -5.681 -8.551 1.00 0.00 H new ATOM 776 N GLY A 53 5.728 -1.092 -3.119 1.00 0.00 N ATOM 777 CA GLY A 53 5.640 -0.792 -1.702 1.00 0.00 C ATOM 778 C GLY A 53 4.501 -1.527 -1.023 1.00 0.00 C ATOM 779 O GLY A 53 3.842 -2.365 -1.636 1.00 0.00 O ATOM 0 H GLY A 53 4.894 -1.523 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.580 -1.059 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.506 0.282 -1.569 1.00 0.00 H new ATOM 783 N TRP A 54 4.271 -1.213 0.247 1.00 0.00 N ATOM 784 CA TRP A 54 3.205 -1.851 1.011 1.00 0.00 C ATOM 785 C TRP A 54 2.122 -0.844 1.381 1.00 0.00 C ATOM 786 O TRP A 54 2.419 0.290 1.759 1.00 0.00 O ATOM 787 CB TRP A 54 3.772 -2.498 2.275 1.00 0.00 C ATOM 788 CG TRP A 54 4.725 -3.620 1.993 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.992 -3.513 1.493 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.487 -5.017 2.192 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.555 -4.760 1.369 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.653 -5.700 1.792 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.403 -5.759 2.670 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.762 -7.086 1.856 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.514 -7.135 2.733 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.686 -7.787 2.329 1.00 0.00 C ATOM 0 H TRP A 54 4.808 -0.521 0.769 1.00 0.00 H new ATOM 0 HA TRP A 54 2.757 -2.624 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.282 -1.737 2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.949 -2.874 2.882 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.479 -2.585 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.493 -4.954 1.019 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.495 -5.266 2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.664 -7.591 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.682 -7.718 3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.742 -8.864 2.392 1.00 0.00 H new ATOM 807 N VAL A 55 0.866 -1.264 1.272 1.00 0.00 N ATOM 808 CA VAL A 55 -0.261 -0.398 1.598 1.00 0.00 C ATOM 809 C VAL A 55 -1.426 -1.202 2.164 1.00 0.00 C ATOM 810 O VAL A 55 -1.562 -2.401 1.920 1.00 0.00 O ATOM 811 CB VAL A 55 -0.743 0.384 0.362 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.188 1.552 0.072 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.847 -0.537 -0.844 1.00 0.00 C ATOM 0 H VAL A 55 0.603 -2.199 0.960 1.00 0.00 H new ATOM 0 HA VAL A 55 0.089 0.308 2.351 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.735 0.784 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.169 2.093 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.207 2.224 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.194 1.177 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.189 0.032 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.131 -0.969 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.558 -1.336 -0.632 1.00 0.00 H new ATOM 823 N PRO A 56 -2.289 -0.527 2.938 1.00 0.00 N ATOM 824 CA PRO A 56 -3.460 -1.159 3.554 1.00 0.00 C ATOM 825 C PRO A 56 -4.523 -1.535 2.528 1.00 0.00 C ATOM 826 O PRO A 56 -4.856 -0.743 1.647 1.00 0.00 O ATOM 827 CB PRO A 56 -3.989 -0.078 4.501 1.00 0.00 C ATOM 828 CG PRO A 56 -3.515 1.206 3.912 1.00 0.00 C ATOM 829 CD PRO A 56 -2.189 0.903 3.271 1.00 0.00 C ATOM 0 HA PRO A 56 -3.204 -2.094 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.077 -0.106 4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.606 -0.215 5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.226 1.584 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.411 1.973 4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.024 1.512 2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.360 1.100 3.951 1.00 0.00 H new ATOM 837 N ALA A 57 -5.052 -2.748 2.648 1.00 0.00 N ATOM 838 CA ALA A 57 -6.079 -3.228 1.732 1.00 0.00 C ATOM 839 C ALA A 57 -7.271 -2.277 1.697 1.00 0.00 C ATOM 840 O ALA A 57 -7.999 -2.213 0.706 1.00 0.00 O ATOM 841 CB ALA A 57 -6.529 -4.626 2.130 1.00 0.00 C ATOM 0 H ALA A 57 -4.786 -3.417 3.371 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.649 -3.267 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.296 -4.972 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.677 -5.305 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.936 -4.603 3.141 1.00 0.00 H new ATOM 847 N THR A 58 -7.465 -1.538 2.785 1.00 0.00 N ATOM 848 CA THR A 58 -8.570 -0.592 2.879 1.00 0.00 C ATOM 849 C THR A 58 -8.528 0.417 1.738 1.00 0.00 C ATOM 850 O THR A 58 -9.555 0.973 1.349 1.00 0.00 O ATOM 851 CB THR A 58 -8.548 0.166 4.220 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.233 0.674 4.474 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.975 -0.743 5.362 1.00 0.00 C ATOM 0 H THR A 58 -6.871 -1.577 3.613 1.00 0.00 H new ATOM 0 HA THR A 58 -9.490 -1.173 2.813 1.00 0.00 H new ATOM 0 HB THR A 58 -9.251 0.996 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.228 1.156 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.952 -0.186 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.987 -1.105 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.293 -1.591 5.427 1.00 0.00 H new ATOM 861 N TYR A 59 -7.334 0.650 1.204 1.00 0.00 N ATOM 862 CA TYR A 59 -7.158 1.594 0.107 1.00 0.00 C ATOM 863 C TYR A 59 -7.114 0.869 -1.234 1.00 0.00 C ATOM 864 O TYR A 59 -6.493 1.341 -2.189 1.00 0.00 O ATOM 865 CB TYR A 59 -5.875 2.404 0.304 1.00 0.00 C ATOM 866 CG TYR A 59 -5.999 3.491 1.347 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.192 3.177 2.687 1.00 0.00 C ATOM 868 CD2 TYR A 59 -5.925 4.833 0.993 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.307 4.167 3.643 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.037 5.829 1.943 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.228 5.492 3.267 1.00 0.00 C ATOM 872 OH TYR A 59 -6.342 6.482 4.216 1.00 0.00 O ATOM 0 H TYR A 59 -6.474 0.198 1.513 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.011 2.272 0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.069 1.728 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.591 2.855 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.253 2.141 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.777 5.101 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.458 3.905 4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.975 6.867 1.651 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.263 7.359 3.785 1.00 0.00 H new ATOM 882 N LEU A 60 -7.777 -0.280 -1.300 1.00 0.00 N ATOM 883 CA LEU A 60 -7.816 -1.072 -2.525 1.00 0.00 C ATOM 884 C LEU A 60 -9.185 -1.717 -2.712 1.00 0.00 C ATOM 885 O LEU A 60 -9.844 -2.089 -1.742 1.00 0.00 O ATOM 886 CB LEU A 60 -6.731 -2.150 -2.493 1.00 0.00 C ATOM 887 CG LEU A 60 -5.322 -1.673 -2.140 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.394 -2.860 -1.929 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.780 -0.758 -3.228 1.00 0.00 C ATOM 0 H LEU A 60 -8.295 -0.684 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.631 -0.405 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.026 -2.913 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.696 -2.631 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.373 -1.107 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.396 -2.501 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.773 -3.478 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.348 -3.453 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.776 -0.428 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.744 -1.299 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.431 0.110 -3.331 1.00 0.00 H new ATOM 901 N GLU A 61 -9.604 -1.850 -3.967 1.00 0.00 N ATOM 902 CA GLU A 61 -10.895 -2.452 -4.281 1.00 0.00 C ATOM 903 C GLU A 61 -10.749 -3.515 -5.366 1.00 0.00 C ATOM 904 O GLU A 61 -10.419 -3.207 -6.511 1.00 0.00 O ATOM 905 CB GLU A 61 -11.887 -1.379 -4.732 1.00 0.00 C ATOM 906 CG GLU A 61 -13.305 -1.897 -4.909 1.00 0.00 C ATOM 907 CD GLU A 61 -14.344 -0.796 -4.820 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.396 -0.112 -3.776 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.104 -0.618 -5.794 1.00 0.00 O ATOM 0 H GLU A 61 -9.069 -1.549 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.274 -2.929 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.893 -0.571 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.544 -0.953 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.389 -2.393 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.511 -2.648 -4.147 1.00 0.00 H new ATOM 916 N ALA A 62 -10.997 -4.767 -4.997 1.00 0.00 N ATOM 917 CA ALA A 62 -10.896 -5.876 -5.938 1.00 0.00 C ATOM 918 C ALA A 62 -11.707 -5.601 -7.200 1.00 0.00 C ATOM 919 O ALA A 62 -12.937 -5.641 -7.178 1.00 0.00 O ATOM 920 CB ALA A 62 -11.358 -7.169 -5.283 1.00 0.00 C ATOM 0 H ALA A 62 -11.270 -5.039 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.850 -5.981 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.277 -7.988 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.733 -7.381 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.396 -7.066 -4.966 1.00 0.00 H new ATOM 926 N GLN A 63 -11.010 -5.321 -8.296 1.00 0.00 N ATOM 927 CA GLN A 63 -11.667 -5.038 -9.567 1.00 0.00 C ATOM 928 C GLN A 63 -12.658 -6.141 -9.925 1.00 0.00 C ATOM 929 O GLN A 63 -13.747 -5.871 -10.428 1.00 0.00 O ATOM 930 CB GLN A 63 -10.629 -4.888 -10.680 1.00 0.00 C ATOM 931 CG GLN A 63 -10.109 -3.468 -10.840 1.00 0.00 C ATOM 932 CD GLN A 63 -9.608 -3.184 -12.242 1.00 0.00 C ATOM 933 OE1 GLN A 63 -10.386 -2.851 -13.136 1.00 0.00 O ATOM 934 NE2 GLN A 63 -8.302 -3.315 -12.441 1.00 0.00 N ATOM 0 H GLN A 63 -9.991 -5.284 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.215 -4.102 -9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.790 -5.552 -10.475 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.070 -5.213 -11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.904 -2.764 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.301 -3.299 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.694 -3.593 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.906 -3.137 -13.364 1.00 0.00 H new ATOM 943 N ASN A 64 -12.271 -7.385 -9.662 1.00 0.00 N ATOM 944 CA ASN A 64 -13.125 -8.530 -9.958 1.00 0.00 C ATOM 945 C ASN A 64 -14.166 -8.729 -8.861 1.00 0.00 C ATOM 946 O ASN A 64 -13.950 -9.488 -7.916 1.00 0.00 O ATOM 947 CB ASN A 64 -12.280 -9.797 -10.112 1.00 0.00 C ATOM 948 CG ASN A 64 -13.034 -10.913 -10.808 1.00 0.00 C ATOM 949 OD1 ASN A 64 -13.682 -10.695 -11.832 1.00 0.00 O ATOM 950 ND2 ASN A 64 -12.953 -12.117 -10.254 1.00 0.00 N ATOM 0 H ASN A 64 -11.372 -7.626 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.644 -8.332 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.379 -9.563 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.958 -10.138 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.440 -12.907 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.404 -12.252 -9.405 1.00 0.00 H new ATOM 957 N SER A 65 -15.297 -8.044 -8.995 1.00 0.00 N ATOM 958 CA SER A 65 -16.372 -8.143 -8.014 1.00 0.00 C ATOM 959 C SER A 65 -17.734 -8.150 -8.700 1.00 0.00 C ATOM 960 O SER A 65 -17.836 -7.932 -9.906 1.00 0.00 O ATOM 961 CB SER A 65 -16.294 -6.981 -7.022 1.00 0.00 C ATOM 962 OG SER A 65 -17.061 -7.249 -5.861 1.00 0.00 O ATOM 0 H SER A 65 -15.493 -7.414 -9.773 1.00 0.00 H new ATOM 0 HA SER A 65 -16.252 -9.082 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.255 -6.806 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.654 -6.068 -7.497 1.00 0.00 H new ATOM 0 HG SER A 65 -16.993 -6.492 -5.242 1.00 0.00 H new ATOM 968 N GLY A 66 -18.781 -8.404 -7.920 1.00 0.00 N ATOM 969 CA GLY A 66 -20.124 -8.436 -8.468 1.00 0.00 C ATOM 970 C GLY A 66 -21.010 -9.451 -7.774 1.00 0.00 C ATOM 971 O GLY A 66 -21.383 -10.476 -8.345 1.00 0.00 O ATOM 0 H GLY A 66 -18.722 -8.588 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.573 -7.446 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.074 -8.670 -9.531 1.00 0.00 H new ATOM 975 N PRO A 67 -21.360 -9.170 -6.510 1.00 0.00 N ATOM 976 CA PRO A 67 -22.211 -10.056 -5.708 1.00 0.00 C ATOM 977 C PRO A 67 -23.652 -10.080 -6.205 1.00 0.00 C ATOM 978 O PRO A 67 -24.034 -9.292 -7.070 1.00 0.00 O ATOM 979 CB PRO A 67 -22.138 -9.444 -4.307 1.00 0.00 C ATOM 980 CG PRO A 67 -21.818 -8.007 -4.537 1.00 0.00 C ATOM 981 CD PRO A 67 -20.952 -7.967 -5.765 1.00 0.00 C ATOM 0 HA PRO A 67 -21.878 -11.093 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -23.082 -9.559 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -21.371 -9.929 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -22.727 -7.423 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -21.298 -7.581 -3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -21.119 -7.059 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -19.892 -7.992 -5.510 1.00 0.00 H new ATOM 989 N SER A 68 -24.448 -10.989 -5.653 1.00 0.00 N ATOM 990 CA SER A 68 -25.848 -11.118 -6.042 1.00 0.00 C ATOM 991 C SER A 68 -26.768 -10.599 -4.942 1.00 0.00 C ATOM 992 O SER A 68 -27.585 -11.342 -4.399 1.00 0.00 O ATOM 993 CB SER A 68 -26.180 -12.579 -6.353 1.00 0.00 C ATOM 994 OG SER A 68 -27.318 -12.676 -7.191 1.00 0.00 O ATOM 0 H SER A 68 -24.148 -11.648 -4.934 1.00 0.00 H new ATOM 0 HA SER A 68 -26.007 -10.518 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 68 -25.327 -13.054 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 68 -26.361 -13.120 -5.424 1.00 0.00 H new ATOM 0 HG SER A 68 -27.508 -13.619 -7.376 1.00 0.00 H new ATOM 1000 N SER A 69 -26.629 -9.317 -4.619 1.00 0.00 N ATOM 1001 CA SER A 69 -27.444 -8.697 -3.581 1.00 0.00 C ATOM 1002 C SER A 69 -28.872 -8.477 -4.072 1.00 0.00 C ATOM 1003 O SER A 69 -29.094 -8.095 -5.220 1.00 0.00 O ATOM 1004 CB SER A 69 -26.830 -7.365 -3.148 1.00 0.00 C ATOM 1005 OG SER A 69 -27.702 -6.659 -2.282 1.00 0.00 O ATOM 0 H SER A 69 -25.959 -8.687 -5.061 1.00 0.00 H new ATOM 0 HA SER A 69 -27.472 -9.370 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 69 -25.880 -7.545 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 69 -26.615 -6.757 -4.027 1.00 0.00 H new ATOM 0 HG SER A 69 -27.286 -5.812 -2.018 1.00 0.00 H new ATOM 1011 N GLY A 70 -29.838 -8.721 -3.191 1.00 0.00 N ATOM 1012 CA GLY A 70 -31.233 -8.544 -3.552 1.00 0.00 C ATOM 1013 C GLY A 70 -31.893 -9.843 -3.968 1.00 0.00 C ATOM 1014 O GLY A 70 -32.344 -10.616 -3.122 1.00 0.00 O ATOM 0 H GLY A 70 -29.680 -9.038 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -31.773 -8.120 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -31.306 -7.825 -4.368 1.00 0.00 H new TER 1018 GLY A 70