USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 156:sc= -1.21 USER MOD Set 2.2: A 50 GLN : amide:sc= -0.864 K(o=-2.1,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.751 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 48:sc= 1.23 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.33) USER MOD Single : A 22 ASN : amide:sc= -2.85 X(o=-2.8,f=-2.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.0024) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -96:sc= 0.222 USER MOD Single : A 57 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.184 16.578 -14.851 1.00 0.00 N ATOM 2 CA GLY A 1 -1.024 15.649 -14.116 1.00 0.00 C ATOM 3 C GLY A 1 -2.222 16.368 -13.493 1.00 0.00 C ATOM 4 O GLY A 1 -3.162 16.740 -14.196 1.00 0.00 O ATOM 0 H1 GLY A 1 0.621 16.066 -15.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.739 17.021 -15.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.168 17.313 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.375 14.863 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.439 15.165 -13.334 1.00 0.00 H new ATOM 8 N SER A 2 -2.151 16.544 -12.182 1.00 0.00 N ATOM 9 CA SER A 2 -3.218 17.213 -11.457 1.00 0.00 C ATOM 10 C SER A 2 -2.691 17.744 -10.123 1.00 0.00 C ATOM 11 O SER A 2 -2.763 18.943 -9.855 1.00 0.00 O ATOM 12 CB SER A 2 -4.400 16.271 -11.224 1.00 0.00 C ATOM 13 OG SER A 2 -5.251 16.189 -12.365 1.00 0.00 O ATOM 0 H SER A 2 -1.371 16.235 -11.603 1.00 0.00 H new ATOM 0 HA SER A 2 -3.569 18.050 -12.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.028 15.277 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.976 16.618 -10.366 1.00 0.00 H new ATOM 0 HG SER A 2 -4.759 16.479 -13.161 1.00 0.00 H new ATOM 19 N SER A 3 -2.173 16.826 -9.320 1.00 0.00 N ATOM 20 CA SER A 3 -1.635 17.187 -8.019 1.00 0.00 C ATOM 21 C SER A 3 -0.682 16.096 -7.527 1.00 0.00 C ATOM 22 O SER A 3 -1.062 15.256 -6.712 1.00 0.00 O ATOM 23 CB SER A 3 -2.755 17.412 -7.002 1.00 0.00 C ATOM 24 OG SER A 3 -2.694 18.710 -6.419 1.00 0.00 O ATOM 0 H SER A 3 -2.114 15.833 -9.545 1.00 0.00 H new ATOM 0 HA SER A 3 -1.085 18.122 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.720 17.279 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.689 16.659 -6.217 1.00 0.00 H new ATOM 0 HG SER A 3 -3.427 18.815 -5.777 1.00 0.00 H new ATOM 30 N GLY A 4 0.538 16.144 -8.042 1.00 0.00 N ATOM 31 CA GLY A 4 1.548 15.170 -7.664 1.00 0.00 C ATOM 32 C GLY A 4 1.159 13.766 -8.133 1.00 0.00 C ATOM 33 O GLY A 4 -0.025 13.446 -8.228 1.00 0.00 O ATOM 0 H GLY A 4 0.850 16.842 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.508 15.449 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.675 15.174 -6.581 1.00 0.00 H new ATOM 37 N SER A 5 2.178 12.967 -8.412 1.00 0.00 N ATOM 38 CA SER A 5 1.957 11.605 -8.867 1.00 0.00 C ATOM 39 C SER A 5 2.578 10.615 -7.880 1.00 0.00 C ATOM 40 O SER A 5 3.782 10.368 -7.917 1.00 0.00 O ATOM 41 CB SER A 5 2.536 11.392 -10.267 1.00 0.00 C ATOM 42 OG SER A 5 1.837 10.380 -10.986 1.00 0.00 O ATOM 0 H SER A 5 3.158 13.236 -8.332 1.00 0.00 H new ATOM 0 HA SER A 5 0.882 11.432 -8.917 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.492 12.328 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.588 11.118 -10.186 1.00 0.00 H new ATOM 0 HG SER A 5 2.236 10.276 -11.875 1.00 0.00 H new ATOM 48 N SER A 6 1.728 10.075 -7.019 1.00 0.00 N ATOM 49 CA SER A 6 2.178 9.118 -6.023 1.00 0.00 C ATOM 50 C SER A 6 0.981 8.576 -5.239 1.00 0.00 C ATOM 51 O SER A 6 -0.057 9.230 -5.153 1.00 0.00 O ATOM 52 CB SER A 6 3.193 9.752 -5.069 1.00 0.00 C ATOM 53 OG SER A 6 4.533 9.565 -5.515 1.00 0.00 O ATOM 0 H SER A 6 0.730 10.282 -6.991 1.00 0.00 H new ATOM 0 HA SER A 6 2.670 8.294 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.987 10.818 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.077 9.318 -4.076 1.00 0.00 H new ATOM 0 HG SER A 6 4.597 9.799 -6.465 1.00 0.00 H new ATOM 59 N GLY A 7 1.165 7.385 -4.688 1.00 0.00 N ATOM 60 CA GLY A 7 0.113 6.747 -3.915 1.00 0.00 C ATOM 61 C GLY A 7 0.428 6.793 -2.419 1.00 0.00 C ATOM 62 O GLY A 7 1.108 7.706 -1.951 1.00 0.00 O ATOM 0 H GLY A 7 2.027 6.845 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.837 7.246 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.001 5.711 -4.235 1.00 0.00 H new ATOM 66 N LYS A 8 -0.082 5.798 -1.708 1.00 0.00 N ATOM 67 CA LYS A 8 0.137 5.713 -0.274 1.00 0.00 C ATOM 68 C LYS A 8 0.897 4.425 0.047 1.00 0.00 C ATOM 69 O LYS A 8 1.046 3.558 -0.813 1.00 0.00 O ATOM 70 CB LYS A 8 -1.189 5.849 0.478 1.00 0.00 C ATOM 71 CG LYS A 8 -1.129 6.994 1.492 1.00 0.00 C ATOM 72 CD LYS A 8 -2.505 7.636 1.675 1.00 0.00 C ATOM 73 CE LYS A 8 -2.946 7.579 3.140 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.023 6.580 3.318 1.00 0.00 N ATOM 0 H LYS A 8 -0.646 5.043 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 8 0.758 6.542 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.997 6.029 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.417 4.915 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.769 6.618 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.415 7.746 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.474 8.673 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.236 7.122 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.096 7.323 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.296 8.561 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.311 6.554 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.840 6.841 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.677 5.642 3.033 1.00 0.00 H new ATOM 88 N TYR A 9 1.357 4.340 1.286 1.00 0.00 N ATOM 89 CA TYR A 9 2.097 3.171 1.731 1.00 0.00 C ATOM 90 C TYR A 9 1.697 2.778 3.154 1.00 0.00 C ATOM 91 O TYR A 9 0.976 3.513 3.826 1.00 0.00 O ATOM 92 CB TYR A 9 3.572 3.579 1.723 1.00 0.00 C ATOM 93 CG TYR A 9 4.185 3.669 0.324 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.436 2.517 -0.395 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.486 4.901 -0.220 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.013 2.602 -1.712 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.063 4.985 -1.537 1.00 0.00 C ATOM 98 CZ TYR A 9 5.298 3.831 -2.218 1.00 0.00 C ATOM 99 OH TYR A 9 5.842 3.911 -3.461 1.00 0.00 O ATOM 0 H TYR A 9 1.232 5.061 1.996 1.00 0.00 H new ATOM 0 HA TYR A 9 1.895 2.318 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.674 4.546 2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.141 2.859 2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.200 1.553 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.289 5.802 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.215 1.709 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.304 5.943 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 9 5.991 4.851 -3.693 1.00 0.00 H new ATOM 109 N VAL A 10 2.184 1.619 3.573 1.00 0.00 N ATOM 110 CA VAL A 10 1.887 1.119 4.904 1.00 0.00 C ATOM 111 C VAL A 10 3.166 0.564 5.534 1.00 0.00 C ATOM 112 O VAL A 10 3.960 -0.092 4.860 1.00 0.00 O ATOM 113 CB VAL A 10 0.758 0.088 4.836 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.250 -1.223 4.217 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.151 -0.153 6.219 1.00 0.00 C ATOM 0 H VAL A 10 2.783 1.012 3.013 1.00 0.00 H new ATOM 0 HA VAL A 10 1.534 1.927 5.545 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.025 0.490 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.429 -1.939 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.613 -1.035 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.059 -1.630 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.649 -0.890 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.922 -0.523 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.253 0.782 6.607 1.00 0.00 H new ATOM 125 N LYS A 11 3.327 0.848 6.818 1.00 0.00 N ATOM 126 CA LYS A 11 4.496 0.385 7.546 1.00 0.00 C ATOM 127 C LYS A 11 4.076 -0.694 8.545 1.00 0.00 C ATOM 128 O LYS A 11 3.388 -0.406 9.523 1.00 0.00 O ATOM 129 CB LYS A 11 5.229 1.565 8.187 1.00 0.00 C ATOM 130 CG LYS A 11 6.597 1.136 8.721 1.00 0.00 C ATOM 131 CD LYS A 11 6.786 1.585 10.171 1.00 0.00 C ATOM 132 CE LYS A 11 8.030 0.943 10.787 1.00 0.00 C ATOM 133 NZ LYS A 11 8.738 1.912 11.654 1.00 0.00 N ATOM 0 H LYS A 11 2.667 1.393 7.373 1.00 0.00 H new ATOM 0 HA LYS A 11 5.212 -0.074 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.354 2.362 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.629 1.972 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.693 0.052 8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.384 1.563 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.876 2.671 10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.906 1.316 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.744 0.067 11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.697 0.597 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.580 1.460 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.028 2.736 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.104 2.222 12.418 1.00 0.00 H new ATOM 147 N ILE A 12 4.507 -1.915 8.265 1.00 0.00 N ATOM 148 CA ILE A 12 4.183 -3.039 9.127 1.00 0.00 C ATOM 149 C ILE A 12 4.569 -2.699 10.568 1.00 0.00 C ATOM 150 O ILE A 12 5.561 -2.010 10.802 1.00 0.00 O ATOM 151 CB ILE A 12 4.834 -4.321 8.603 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.442 -4.578 7.146 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.503 -5.512 9.504 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.927 -4.481 6.960 1.00 0.00 C ATOM 0 H ILE A 12 5.078 -2.151 7.453 1.00 0.00 H new ATOM 0 HA ILE A 12 3.109 -3.227 9.120 1.00 0.00 H new ATOM 0 HB ILE A 12 5.916 -4.190 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.938 -3.854 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.787 -5.566 6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.978 -6.410 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.872 -5.320 10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.423 -5.656 9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.676 -4.668 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.435 -5.222 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.589 -3.484 7.242 1.00 0.00 H new ATOM 166 N LEU A 13 3.765 -3.197 11.496 1.00 0.00 N ATOM 167 CA LEU A 13 4.010 -2.954 12.907 1.00 0.00 C ATOM 168 C LEU A 13 4.479 -4.251 13.569 1.00 0.00 C ATOM 169 O LEU A 13 5.263 -4.220 14.517 1.00 0.00 O ATOM 170 CB LEU A 13 2.775 -2.338 13.567 1.00 0.00 C ATOM 171 CG LEU A 13 2.245 -1.052 12.930 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.015 -0.535 13.679 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.345 0.006 12.834 1.00 0.00 C ATOM 0 H LEU A 13 2.943 -3.768 11.298 1.00 0.00 H new ATOM 0 HA LEU A 13 4.809 -2.223 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.976 -3.079 13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.010 -2.132 14.611 1.00 0.00 H new ATOM 0 HG LEU A 13 1.929 -1.280 11.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.659 0.380 13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.228 -1.289 13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.281 -0.327 14.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.942 0.910 12.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.715 0.238 13.833 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.164 -0.375 12.223 1.00 0.00 H new ATOM 185 N TYR A 14 3.980 -5.360 13.044 1.00 0.00 N ATOM 186 CA TYR A 14 4.338 -6.666 13.573 1.00 0.00 C ATOM 187 C TYR A 14 4.724 -7.626 12.446 1.00 0.00 C ATOM 188 O TYR A 14 4.141 -7.585 11.363 1.00 0.00 O ATOM 189 CB TYR A 14 3.085 -7.196 14.272 1.00 0.00 C ATOM 190 CG TYR A 14 2.661 -6.377 15.493 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.347 -6.506 16.683 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.591 -5.509 15.404 1.00 0.00 C ATOM 193 CE1 TYR A 14 2.948 -5.735 17.832 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.191 -4.738 16.553 1.00 0.00 C ATOM 195 CZ TYR A 14 1.889 -4.890 17.710 1.00 0.00 C ATOM 196 OH TYR A 14 1.512 -4.162 18.795 1.00 0.00 O ATOM 0 H TYR A 14 3.331 -5.382 12.258 1.00 0.00 H new ATOM 0 HA TYR A 14 5.190 -6.587 14.248 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.263 -7.215 13.557 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.262 -8.226 14.582 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.184 -7.185 16.753 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.054 -5.408 14.473 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.477 -5.826 18.769 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.356 -4.055 16.497 1.00 0.00 H new ATOM 0 HH TYR A 14 0.743 -3.601 18.562 1.00 0.00 H new ATOM 206 N ASP A 15 5.703 -8.469 12.739 1.00 0.00 N ATOM 207 CA ASP A 15 6.174 -9.439 11.765 1.00 0.00 C ATOM 208 C ASP A 15 5.118 -10.532 11.589 1.00 0.00 C ATOM 209 O ASP A 15 4.800 -11.250 12.536 1.00 0.00 O ATOM 210 CB ASP A 15 7.470 -10.103 12.230 1.00 0.00 C ATOM 211 CG ASP A 15 7.516 -10.461 13.717 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.442 -10.815 14.249 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.624 -10.371 14.289 1.00 0.00 O ATOM 0 H ASP A 15 6.184 -8.500 13.638 1.00 0.00 H new ATOM 0 HA ASP A 15 6.356 -8.914 10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.624 -11.012 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.303 -9.436 12.006 1.00 0.00 H new ATOM 218 N PHE A 16 4.604 -10.624 10.372 1.00 0.00 N ATOM 219 CA PHE A 16 3.591 -11.618 10.061 1.00 0.00 C ATOM 220 C PHE A 16 4.098 -12.608 9.009 1.00 0.00 C ATOM 221 O PHE A 16 4.995 -12.287 8.231 1.00 0.00 O ATOM 222 CB PHE A 16 2.385 -10.866 9.495 1.00 0.00 C ATOM 223 CG PHE A 16 1.169 -11.754 9.224 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.403 -12.193 10.258 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.854 -12.104 7.948 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.726 -13.017 10.006 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.275 -12.928 7.696 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.041 -13.367 8.730 1.00 0.00 C ATOM 0 H PHE A 16 4.870 -10.027 9.589 1.00 0.00 H new ATOM 0 HA PHE A 16 3.335 -12.181 10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.099 -10.080 10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.678 -10.376 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.653 -11.915 11.271 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.462 -11.755 7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.334 -13.366 10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.525 -13.206 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.899 -13.994 8.538 1.00 0.00 H new ATOM 238 N THR A 17 3.502 -13.791 9.021 1.00 0.00 N ATOM 239 CA THR A 17 3.882 -14.829 8.078 1.00 0.00 C ATOM 240 C THR A 17 2.668 -15.284 7.266 1.00 0.00 C ATOM 241 O THR A 17 1.762 -15.922 7.801 1.00 0.00 O ATOM 242 CB THR A 17 4.546 -15.962 8.864 1.00 0.00 C ATOM 243 OG1 THR A 17 5.779 -15.401 9.306 1.00 0.00 O ATOM 244 CG2 THR A 17 4.967 -17.128 7.968 1.00 0.00 C ATOM 0 H THR A 17 2.759 -14.054 9.669 1.00 0.00 H new ATOM 0 HA THR A 17 4.600 -14.455 7.348 1.00 0.00 H new ATOM 0 HB THR A 17 3.860 -16.323 9.630 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.274 -16.068 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.432 -17.904 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.090 -17.537 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.679 -16.775 7.222 1.00 0.00 H new ATOM 252 N ALA A 18 2.687 -14.937 5.988 1.00 0.00 N ATOM 253 CA ALA A 18 1.598 -15.301 5.097 1.00 0.00 C ATOM 254 C ALA A 18 1.247 -16.775 5.305 1.00 0.00 C ATOM 255 O ALA A 18 2.050 -17.657 5.005 1.00 0.00 O ATOM 256 CB ALA A 18 1.997 -14.995 3.652 1.00 0.00 C ATOM 0 H ALA A 18 3.439 -14.407 5.548 1.00 0.00 H new ATOM 0 HA ALA A 18 0.707 -14.715 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.180 -15.268 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.209 -13.931 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.887 -15.568 3.391 1.00 0.00 H new ATOM 262 N ARG A 19 0.045 -16.998 5.816 1.00 0.00 N ATOM 263 CA ARG A 19 -0.423 -18.350 6.068 1.00 0.00 C ATOM 264 C ARG A 19 -0.614 -19.100 4.748 1.00 0.00 C ATOM 265 O ARG A 19 -0.462 -20.319 4.694 1.00 0.00 O ATOM 266 CB ARG A 19 -1.746 -18.341 6.837 1.00 0.00 C ATOM 267 CG ARG A 19 -1.569 -17.719 8.224 1.00 0.00 C ATOM 268 CD ARG A 19 -0.907 -18.707 9.187 1.00 0.00 C ATOM 269 NE ARG A 19 -1.804 -19.860 9.425 1.00 0.00 N ATOM 270 CZ ARG A 19 -2.908 -19.810 10.182 1.00 0.00 C ATOM 271 NH1 ARG A 19 -3.259 -18.663 10.780 1.00 0.00 N ATOM 272 NH2 ARG A 19 -3.662 -20.906 10.342 1.00 0.00 N ATOM 0 H ARG A 19 -0.619 -16.264 6.062 1.00 0.00 H new ATOM 0 HA ARG A 19 0.331 -18.855 6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.493 -17.780 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.120 -19.360 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.961 -16.817 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.539 -17.417 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.040 -19.052 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.680 -18.211 10.131 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.566 -20.749 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.685 -17.828 10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.100 -18.625 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.395 -21.779 9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.502 -20.867 10.919 1.00 0.00 H new ATOM 286 N ASN A 20 -0.946 -18.339 3.715 1.00 0.00 N ATOM 287 CA ASN A 20 -1.159 -18.916 2.398 1.00 0.00 C ATOM 288 C ASN A 20 -0.661 -17.939 1.331 1.00 0.00 C ATOM 289 O ASN A 20 -0.053 -16.920 1.653 1.00 0.00 O ATOM 290 CB ASN A 20 -2.646 -19.175 2.145 1.00 0.00 C ATOM 291 CG ASN A 20 -3.248 -20.040 3.253 1.00 0.00 C ATOM 292 OD1 ASN A 20 -3.183 -21.258 3.230 1.00 0.00 O ATOM 293 ND2 ASN A 20 -3.837 -19.346 4.222 1.00 0.00 N ATOM 0 H ASN A 20 -1.073 -17.328 3.763 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.615 -19.859 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.180 -18.226 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.774 -19.670 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.270 -19.833 5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.856 -18.327 4.180 1.00 0.00 H new ATOM 300 N ALA A 21 -0.936 -18.286 0.083 1.00 0.00 N ATOM 301 CA ALA A 21 -0.523 -17.453 -1.034 1.00 0.00 C ATOM 302 C ALA A 21 -1.333 -16.155 -1.023 1.00 0.00 C ATOM 303 O ALA A 21 -0.770 -15.067 -1.140 1.00 0.00 O ATOM 304 CB ALA A 21 -0.688 -18.231 -2.341 1.00 0.00 C ATOM 0 H ALA A 21 -1.440 -19.133 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 21 0.530 -17.186 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.378 -17.606 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.071 -19.129 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.733 -18.514 -2.467 1.00 0.00 H new ATOM 310 N ASN A 22 -2.641 -16.312 -0.881 1.00 0.00 N ATOM 311 CA ASN A 22 -3.534 -15.166 -0.852 1.00 0.00 C ATOM 312 C ASN A 22 -3.002 -14.135 0.146 1.00 0.00 C ATOM 313 O ASN A 22 -3.312 -12.949 0.043 1.00 0.00 O ATOM 314 CB ASN A 22 -4.940 -15.573 -0.408 1.00 0.00 C ATOM 315 CG ASN A 22 -4.881 -16.543 0.774 1.00 0.00 C ATOM 316 OD1 ASN A 22 -4.800 -16.153 1.927 1.00 0.00 O ATOM 317 ND2 ASN A 22 -4.927 -17.825 0.424 1.00 0.00 N ATOM 0 H ASN A 22 -3.104 -17.216 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.581 -14.750 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.508 -14.686 -0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.468 -16.039 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.895 -18.551 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.995 -18.083 -0.561 1.00 0.00 H new ATOM 324 N GLU A 23 -2.211 -14.625 1.089 1.00 0.00 N ATOM 325 CA GLU A 23 -1.633 -13.762 2.105 1.00 0.00 C ATOM 326 C GLU A 23 -0.187 -13.414 1.746 1.00 0.00 C ATOM 327 O GLU A 23 0.505 -14.205 1.108 1.00 0.00 O ATOM 328 CB GLU A 23 -1.714 -14.411 3.487 1.00 0.00 C ATOM 329 CG GLU A 23 -3.135 -14.328 4.050 1.00 0.00 C ATOM 330 CD GLU A 23 -3.153 -14.655 5.545 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.835 -13.736 6.330 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.484 -15.816 5.868 1.00 0.00 O ATOM 0 H GLU A 23 -1.957 -15.609 1.171 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.210 -12.838 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.406 -15.454 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.020 -13.916 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.536 -13.328 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.783 -15.022 3.515 1.00 0.00 H new ATOM 339 N LEU A 24 0.226 -12.230 2.173 1.00 0.00 N ATOM 340 CA LEU A 24 1.577 -11.767 1.905 1.00 0.00 C ATOM 341 C LEU A 24 2.406 -11.857 3.188 1.00 0.00 C ATOM 342 O LEU A 24 1.922 -11.523 4.268 1.00 0.00 O ATOM 343 CB LEU A 24 1.552 -10.369 1.285 1.00 0.00 C ATOM 344 CG LEU A 24 2.780 -9.979 0.460 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.660 -10.490 -0.977 1.00 0.00 C ATOM 346 CD2 LEU A 24 3.019 -8.468 0.512 1.00 0.00 C ATOM 0 H LEU A 24 -0.351 -11.577 2.703 1.00 0.00 H new ATOM 0 HA LEU A 24 2.060 -12.408 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.671 -10.292 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.431 -9.640 2.086 1.00 0.00 H new ATOM 0 HG LEU A 24 3.654 -10.459 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.546 -10.199 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.574 -11.577 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.774 -10.059 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.898 -8.218 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.149 -7.948 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.181 -8.161 1.545 1.00 0.00 H new ATOM 358 N SER A 25 3.641 -12.309 3.026 1.00 0.00 N ATOM 359 CA SER A 25 4.542 -12.447 4.158 1.00 0.00 C ATOM 360 C SER A 25 5.377 -11.175 4.320 1.00 0.00 C ATOM 361 O SER A 25 6.160 -10.826 3.438 1.00 0.00 O ATOM 362 CB SER A 25 5.454 -13.663 3.992 1.00 0.00 C ATOM 363 OG SER A 25 5.899 -13.816 2.647 1.00 0.00 O ATOM 0 H SER A 25 4.039 -12.584 2.128 1.00 0.00 H new ATOM 0 HA SER A 25 3.942 -12.597 5.056 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.317 -13.562 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.920 -14.562 4.302 1.00 0.00 H new ATOM 0 HG SER A 25 6.480 -14.602 2.582 1.00 0.00 H new ATOM 369 N VAL A 26 5.181 -10.517 5.453 1.00 0.00 N ATOM 370 CA VAL A 26 5.907 -9.291 5.742 1.00 0.00 C ATOM 371 C VAL A 26 6.627 -9.434 7.084 1.00 0.00 C ATOM 372 O VAL A 26 6.446 -10.427 7.787 1.00 0.00 O ATOM 373 CB VAL A 26 4.953 -8.096 5.699 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.351 -7.924 4.303 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.855 -8.233 6.757 1.00 0.00 C ATOM 0 H VAL A 26 4.530 -10.809 6.182 1.00 0.00 H new ATOM 0 HA VAL A 26 6.668 -9.109 4.983 1.00 0.00 H new ATOM 0 HB VAL A 26 5.529 -7.199 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.677 -7.068 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.150 -7.759 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.797 -8.823 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.190 -7.371 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.284 -9.143 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.308 -8.283 7.747 1.00 0.00 H new ATOM 385 N LEU A 27 7.429 -8.428 7.399 1.00 0.00 N ATOM 386 CA LEU A 27 8.177 -8.428 8.645 1.00 0.00 C ATOM 387 C LEU A 27 7.925 -7.115 9.387 1.00 0.00 C ATOM 388 O LEU A 27 7.195 -6.253 8.900 1.00 0.00 O ATOM 389 CB LEU A 27 9.657 -8.711 8.380 1.00 0.00 C ATOM 390 CG LEU A 27 10.051 -10.186 8.283 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.382 -10.351 7.546 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.078 -10.839 9.667 1.00 0.00 C ATOM 0 H LEU A 27 7.577 -7.607 6.813 1.00 0.00 H new ATOM 0 HA LEU A 27 7.833 -9.232 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.940 -8.218 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.243 -8.251 9.176 1.00 0.00 H new ATOM 0 HG LEU A 27 9.292 -10.704 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.639 -11.409 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.292 -9.947 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.164 -9.815 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.361 -11.887 9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.803 -10.325 10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.089 -10.771 10.121 1.00 0.00 H new ATOM 404 N LYS A 28 8.543 -7.003 10.554 1.00 0.00 N ATOM 405 CA LYS A 28 8.395 -5.809 11.368 1.00 0.00 C ATOM 406 C LYS A 28 9.290 -4.701 10.808 1.00 0.00 C ATOM 407 O LYS A 28 10.343 -4.978 10.236 1.00 0.00 O ATOM 408 CB LYS A 28 8.660 -6.128 12.840 1.00 0.00 C ATOM 409 CG LYS A 28 8.338 -4.924 13.729 1.00 0.00 C ATOM 410 CD LYS A 28 9.149 -4.968 15.026 1.00 0.00 C ATOM 411 CE LYS A 28 8.280 -4.593 16.228 1.00 0.00 C ATOM 412 NZ LYS A 28 8.692 -5.360 17.425 1.00 0.00 N ATOM 0 H LYS A 28 9.147 -7.720 10.955 1.00 0.00 H new ATOM 0 HA LYS A 28 7.369 -5.443 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.055 -6.982 13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.704 -6.413 12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.556 -4.001 13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.273 -4.914 13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.561 -5.967 15.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.993 -4.282 14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.365 -3.525 16.426 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.232 -4.793 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.092 -5.093 18.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.588 -6.378 17.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.686 -5.149 17.648 1.00 0.00 H new ATOM 426 N ASP A 29 8.837 -3.469 10.992 1.00 0.00 N ATOM 427 CA ASP A 29 9.583 -2.318 10.512 1.00 0.00 C ATOM 428 C ASP A 29 9.740 -2.414 8.994 1.00 0.00 C ATOM 429 O ASP A 29 10.796 -2.089 8.453 1.00 0.00 O ATOM 430 CB ASP A 29 10.982 -2.272 11.130 1.00 0.00 C ATOM 431 CG ASP A 29 11.057 -1.622 12.513 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.197 -1.969 13.351 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.974 -0.793 12.701 1.00 0.00 O ATOM 0 H ASP A 29 7.963 -3.243 11.467 1.00 0.00 H new ATOM 0 HA ASP A 29 9.034 -1.419 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.364 -3.290 11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.644 -1.730 10.454 1.00 0.00 H new ATOM 438 N GLU A 30 8.673 -2.862 8.348 1.00 0.00 N ATOM 439 CA GLU A 30 8.679 -3.005 6.902 1.00 0.00 C ATOM 440 C GLU A 30 7.647 -2.068 6.272 1.00 0.00 C ATOM 441 O GLU A 30 6.725 -1.612 6.945 1.00 0.00 O ATOM 442 CB GLU A 30 8.423 -4.457 6.493 1.00 0.00 C ATOM 443 CG GLU A 30 9.738 -5.224 6.341 1.00 0.00 C ATOM 444 CD GLU A 30 9.512 -6.567 5.644 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.345 -6.829 5.281 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.511 -7.302 5.490 1.00 0.00 O ATOM 0 H GLU A 30 7.799 -3.131 8.800 1.00 0.00 H new ATOM 0 HA GLU A 30 9.666 -2.727 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.798 -4.944 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.873 -4.482 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.447 -4.627 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.182 -5.390 7.323 1.00 0.00 H new ATOM 453 N VAL A 31 7.838 -1.808 4.986 1.00 0.00 N ATOM 454 CA VAL A 31 6.935 -0.934 4.258 1.00 0.00 C ATOM 455 C VAL A 31 6.499 -1.622 2.963 1.00 0.00 C ATOM 456 O VAL A 31 7.333 -1.960 2.124 1.00 0.00 O ATOM 457 CB VAL A 31 7.600 0.423 4.018 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.688 1.345 3.206 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.002 1.077 5.342 1.00 0.00 C ATOM 0 H VAL A 31 8.605 -2.188 4.431 1.00 0.00 H new ATOM 0 HA VAL A 31 6.036 -0.742 4.843 1.00 0.00 H new ATOM 0 HB VAL A 31 8.507 0.254 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.185 2.303 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.473 0.886 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.756 1.504 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.472 2.040 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.115 1.226 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.705 0.431 5.868 1.00 0.00 H new ATOM 469 N LEU A 32 5.193 -1.810 2.840 1.00 0.00 N ATOM 470 CA LEU A 32 4.636 -2.452 1.661 1.00 0.00 C ATOM 471 C LEU A 32 3.855 -1.420 0.845 1.00 0.00 C ATOM 472 O LEU A 32 3.693 -0.279 1.273 1.00 0.00 O ATOM 473 CB LEU A 32 3.810 -3.676 2.059 1.00 0.00 C ATOM 474 CG LEU A 32 4.591 -4.847 2.660 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.717 -5.292 1.724 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.109 -4.500 4.057 1.00 0.00 C ATOM 0 H LEU A 32 4.504 -1.529 3.538 1.00 0.00 H new ATOM 0 HA LEU A 32 5.432 -2.829 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.055 -3.361 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.279 -4.034 1.177 1.00 0.00 H new ATOM 0 HG LEU A 32 3.911 -5.692 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.257 -6.125 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.294 -5.607 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.404 -4.461 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.660 -5.349 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.769 -3.634 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.267 -4.269 4.710 1.00 0.00 H new ATOM 488 N GLU A 33 3.391 -1.860 -0.315 1.00 0.00 N ATOM 489 CA GLU A 33 2.630 -0.989 -1.195 1.00 0.00 C ATOM 490 C GLU A 33 1.143 -1.347 -1.141 1.00 0.00 C ATOM 491 O GLU A 33 0.733 -2.388 -1.652 1.00 0.00 O ATOM 492 CB GLU A 33 3.159 -1.061 -2.629 1.00 0.00 C ATOM 493 CG GLU A 33 2.280 -0.245 -3.579 1.00 0.00 C ATOM 494 CD GLU A 33 3.098 0.299 -4.752 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.754 1.344 -4.550 1.00 0.00 O ATOM 496 OE2 GLU A 33 3.050 -0.342 -5.824 1.00 0.00 O ATOM 0 H GLU A 33 3.527 -2.808 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 33 2.749 0.038 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.182 -0.686 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.189 -2.100 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.469 -0.868 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.822 0.582 -3.036 1.00 0.00 H new ATOM 503 N VAL A 34 0.377 -0.465 -0.516 1.00 0.00 N ATOM 504 CA VAL A 34 -1.055 -0.675 -0.388 1.00 0.00 C ATOM 505 C VAL A 34 -1.722 -0.449 -1.746 1.00 0.00 C ATOM 506 O VAL A 34 -1.512 0.583 -2.381 1.00 0.00 O ATOM 507 CB VAL A 34 -1.619 0.225 0.713 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.488 1.701 0.336 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.074 -0.135 1.023 1.00 0.00 C ATOM 0 H VAL A 34 0.721 0.397 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.266 -1.702 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.032 0.057 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.897 2.318 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.436 1.947 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.038 1.891 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.451 0.519 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.679 -0.010 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.129 -1.171 1.356 1.00 0.00 H new ATOM 519 N LEU A 35 -2.514 -1.431 -2.151 1.00 0.00 N ATOM 520 CA LEU A 35 -3.214 -1.352 -3.422 1.00 0.00 C ATOM 521 C LEU A 35 -4.714 -1.194 -3.164 1.00 0.00 C ATOM 522 O LEU A 35 -5.377 -0.386 -3.813 1.00 0.00 O ATOM 523 CB LEU A 35 -2.864 -2.553 -4.302 1.00 0.00 C ATOM 524 CG LEU A 35 -1.555 -3.271 -3.968 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.496 -4.644 -4.639 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.347 -2.404 -4.329 1.00 0.00 C ATOM 0 H LEU A 35 -2.686 -2.286 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.892 -0.473 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.678 -3.275 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.817 -2.218 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.522 -3.438 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.555 -5.133 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.328 -5.255 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.562 -4.524 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.571 -2.938 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.363 -2.185 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.387 -1.471 -3.766 1.00 0.00 H new ATOM 538 N GLU A 36 -5.205 -1.978 -2.216 1.00 0.00 N ATOM 539 CA GLU A 36 -6.614 -1.935 -1.865 1.00 0.00 C ATOM 540 C GLU A 36 -6.779 -1.784 -0.351 1.00 0.00 C ATOM 541 O GLU A 36 -6.194 -2.543 0.420 1.00 0.00 O ATOM 542 CB GLU A 36 -7.344 -3.179 -2.374 1.00 0.00 C ATOM 543 CG GLU A 36 -8.077 -2.887 -3.685 1.00 0.00 C ATOM 544 CD GLU A 36 -9.210 -3.889 -3.916 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.109 -3.937 -3.050 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.150 -4.583 -4.954 1.00 0.00 O ATOM 0 H GLU A 36 -4.652 -2.647 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.063 -1.067 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.629 -3.988 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.057 -3.520 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.481 -1.875 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.373 -2.930 -4.516 1.00 0.00 H new ATOM 553 N ASP A 37 -7.580 -0.799 0.029 1.00 0.00 N ATOM 554 CA ASP A 37 -7.829 -0.538 1.437 1.00 0.00 C ATOM 555 C ASP A 37 -9.317 -0.244 1.640 1.00 0.00 C ATOM 556 O ASP A 37 -10.065 -0.110 0.673 1.00 0.00 O ATOM 557 CB ASP A 37 -7.036 0.677 1.921 1.00 0.00 C ATOM 558 CG ASP A 37 -7.656 2.033 1.577 1.00 0.00 C ATOM 559 OD1 ASP A 37 -7.654 2.368 0.373 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.117 2.703 2.525 1.00 0.00 O ATOM 0 H ASP A 37 -8.065 -0.172 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.521 -1.417 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.923 0.610 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.035 0.633 1.492 1.00 0.00 H new ATOM 565 N GLY A 38 -9.702 -0.153 2.905 1.00 0.00 N ATOM 566 CA GLY A 38 -11.086 0.123 3.248 1.00 0.00 C ATOM 567 C GLY A 38 -11.836 -1.168 3.583 1.00 0.00 C ATOM 568 O GLY A 38 -12.999 -1.129 3.980 1.00 0.00 O ATOM 0 H GLY A 38 -9.079 -0.266 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.125 0.802 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.577 0.628 2.416 1.00 0.00 H new ATOM 572 N ARG A 39 -11.138 -2.281 3.411 1.00 0.00 N ATOM 573 CA ARG A 39 -11.723 -3.581 3.691 1.00 0.00 C ATOM 574 C ARG A 39 -11.067 -4.204 4.925 1.00 0.00 C ATOM 575 O ARG A 39 -9.994 -3.774 5.346 1.00 0.00 O ATOM 576 CB ARG A 39 -11.556 -4.528 2.500 1.00 0.00 C ATOM 577 CG ARG A 39 -12.795 -5.408 2.322 1.00 0.00 C ATOM 578 CD ARG A 39 -12.410 -6.886 2.235 1.00 0.00 C ATOM 579 NE ARG A 39 -12.402 -7.325 0.821 1.00 0.00 N ATOM 580 CZ ARG A 39 -12.434 -8.607 0.433 1.00 0.00 C ATOM 581 NH1 ARG A 39 -12.476 -9.584 1.349 1.00 0.00 N ATOM 582 NH2 ARG A 39 -12.425 -8.912 -0.872 1.00 0.00 N ATOM 0 H ARG A 39 -10.173 -2.309 3.081 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.787 -3.433 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.383 -3.950 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.678 -5.156 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.477 -5.255 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.328 -5.113 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.426 -7.041 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.115 -7.488 2.807 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.370 -6.607 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.484 -9.352 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.500 -10.560 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.394 -8.168 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.449 -9.888 -1.168 1.00 0.00 H new ATOM 596 N GLN A 40 -11.739 -5.208 5.469 1.00 0.00 N ATOM 597 CA GLN A 40 -11.234 -5.895 6.646 1.00 0.00 C ATOM 598 C GLN A 40 -9.727 -6.128 6.520 1.00 0.00 C ATOM 599 O GLN A 40 -8.962 -5.760 7.410 1.00 0.00 O ATOM 600 CB GLN A 40 -11.976 -7.213 6.872 1.00 0.00 C ATOM 601 CG GLN A 40 -12.032 -8.039 5.585 1.00 0.00 C ATOM 602 CD GLN A 40 -13.288 -8.912 5.547 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.329 -10.008 6.080 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.306 -8.366 4.888 1.00 0.00 N ATOM 0 H GLN A 40 -12.628 -5.562 5.117 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.412 -5.262 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.478 -7.785 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.988 -7.009 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.021 -7.374 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.145 -8.669 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.204 -7.443 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.189 -8.870 4.806 1.00 0.00 H new ATOM 613 N TRP A 41 -9.347 -6.738 5.407 1.00 0.00 N ATOM 614 CA TRP A 41 -7.945 -7.025 5.152 1.00 0.00 C ATOM 615 C TRP A 41 -7.513 -6.217 3.927 1.00 0.00 C ATOM 616 O TRP A 41 -8.228 -6.168 2.928 1.00 0.00 O ATOM 617 CB TRP A 41 -7.714 -8.528 4.990 1.00 0.00 C ATOM 618 CG TRP A 41 -7.886 -9.328 6.283 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.920 -9.306 7.135 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.948 -10.273 6.840 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.718 -10.165 8.197 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.482 -10.772 8.011 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.692 -10.693 6.370 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.827 -11.718 8.810 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.051 -11.639 7.179 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.574 -12.151 8.361 1.00 0.00 C ATOM 0 H TRP A 41 -9.985 -7.042 4.671 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.329 -6.727 6.000 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.407 -8.913 4.242 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.707 -8.691 4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.800 -8.694 7.007 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.358 -10.325 8.975 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.256 -10.316 5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.265 -12.093 9.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.082 -11.996 6.863 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.016 -12.880 8.930 1.00 0.00 H new ATOM 637 N TRP A 42 -6.343 -5.605 4.044 1.00 0.00 N ATOM 638 CA TRP A 42 -5.807 -4.803 2.958 1.00 0.00 C ATOM 639 C TRP A 42 -5.004 -5.727 2.039 1.00 0.00 C ATOM 640 O TRP A 42 -4.628 -6.829 2.436 1.00 0.00 O ATOM 641 CB TRP A 42 -4.982 -3.632 3.497 1.00 0.00 C ATOM 642 CG TRP A 42 -5.785 -2.644 4.345 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.090 -2.687 4.648 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.279 -1.456 4.991 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.460 -1.618 5.439 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.324 -0.846 5.654 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.982 -0.916 5.014 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.180 0.337 6.388 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.854 0.267 5.752 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.896 0.893 6.425 1.00 0.00 C ATOM 0 H TRP A 42 -5.752 -5.649 4.874 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.612 -4.350 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.160 -4.025 4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.537 -3.097 2.658 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.767 -3.460 4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.395 -1.429 5.800 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.150 -1.377 4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.014 0.796 6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.877 0.725 5.802 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.716 1.805 6.975 1.00 0.00 H new ATOM 661 N LYS A 43 -4.765 -5.243 0.829 1.00 0.00 N ATOM 662 CA LYS A 43 -4.014 -6.012 -0.149 1.00 0.00 C ATOM 663 C LYS A 43 -2.723 -5.267 -0.494 1.00 0.00 C ATOM 664 O LYS A 43 -2.736 -4.330 -1.291 1.00 0.00 O ATOM 665 CB LYS A 43 -4.886 -6.327 -1.366 1.00 0.00 C ATOM 666 CG LYS A 43 -4.228 -7.388 -2.251 1.00 0.00 C ATOM 667 CD LYS A 43 -4.865 -7.414 -3.642 1.00 0.00 C ATOM 668 CE LYS A 43 -4.022 -8.239 -4.616 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.883 -8.867 -5.643 1.00 0.00 N ATOM 0 H LYS A 43 -5.078 -4.328 0.504 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.725 -6.978 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.864 -6.678 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.052 -5.418 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.161 -7.182 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.326 -8.368 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.869 -7.834 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.969 -6.396 -4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.280 -7.600 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.475 -9.009 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.295 -9.423 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.574 -9.492 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.386 -8.127 -6.174 1.00 0.00 H new ATOM 683 N LEU A 44 -1.638 -5.712 0.124 1.00 0.00 N ATOM 684 CA LEU A 44 -0.341 -5.099 -0.108 1.00 0.00 C ATOM 685 C LEU A 44 0.446 -5.946 -1.111 1.00 0.00 C ATOM 686 O LEU A 44 0.072 -7.082 -1.398 1.00 0.00 O ATOM 687 CB LEU A 44 0.391 -4.877 1.217 1.00 0.00 C ATOM 688 CG LEU A 44 -0.470 -4.391 2.385 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.274 -3.150 1.994 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.367 -5.514 2.910 1.00 0.00 C ATOM 0 H LEU A 44 -1.631 -6.489 0.785 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.460 -4.110 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.867 -5.813 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.188 -4.152 1.052 1.00 0.00 H new ATOM 0 HG LEU A 44 0.193 -4.101 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.877 -2.825 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.592 -2.350 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.927 -3.389 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.968 -5.142 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.024 -5.858 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.749 -6.343 3.254 1.00 0.00 H new ATOM 702 N ARG A 45 1.522 -5.359 -1.615 1.00 0.00 N ATOM 703 CA ARG A 45 2.365 -6.045 -2.580 1.00 0.00 C ATOM 704 C ARG A 45 3.841 -5.853 -2.226 1.00 0.00 C ATOM 705 O ARG A 45 4.305 -4.724 -2.074 1.00 0.00 O ATOM 706 CB ARG A 45 2.116 -5.525 -3.997 1.00 0.00 C ATOM 707 CG ARG A 45 2.994 -6.259 -5.012 1.00 0.00 C ATOM 708 CD ARG A 45 3.479 -5.306 -6.107 1.00 0.00 C ATOM 709 NE ARG A 45 4.177 -4.151 -5.500 1.00 0.00 N ATOM 710 CZ ARG A 45 4.563 -3.063 -6.181 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.322 -2.976 -7.496 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.191 -2.063 -5.547 1.00 0.00 N ATOM 0 H ARG A 45 1.829 -4.417 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 45 2.114 -7.105 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.066 -5.656 -4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.323 -4.456 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.851 -6.702 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.431 -7.078 -5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.150 -5.831 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.633 -4.959 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 45 4.377 -4.185 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.845 -3.738 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.616 -2.148 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.375 -2.130 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.485 -1.235 -6.065 1.00 0.00 H new ATOM 726 N SER A 46 4.538 -6.974 -2.104 1.00 0.00 N ATOM 727 CA SER A 46 5.951 -6.943 -1.771 1.00 0.00 C ATOM 728 C SER A 46 6.770 -6.539 -2.999 1.00 0.00 C ATOM 729 O SER A 46 6.253 -6.520 -4.115 1.00 0.00 O ATOM 730 CB SER A 46 6.422 -8.299 -1.242 1.00 0.00 C ATOM 731 OG SER A 46 6.096 -9.362 -2.133 1.00 0.00 O ATOM 0 H SER A 46 4.150 -7.909 -2.230 1.00 0.00 H new ATOM 0 HA SER A 46 6.100 -6.204 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.501 -8.273 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.966 -8.488 -0.270 1.00 0.00 H new ATOM 0 HG SER A 46 6.707 -10.113 -1.984 1.00 0.00 H new ATOM 737 N ARG A 47 8.034 -6.227 -2.751 1.00 0.00 N ATOM 738 CA ARG A 47 8.928 -5.824 -3.823 1.00 0.00 C ATOM 739 C ARG A 47 9.232 -7.014 -4.736 1.00 0.00 C ATOM 740 O ARG A 47 9.833 -6.849 -5.796 1.00 0.00 O ATOM 741 CB ARG A 47 10.241 -5.270 -3.265 1.00 0.00 C ATOM 742 CG ARG A 47 10.375 -3.775 -3.561 1.00 0.00 C ATOM 743 CD ARG A 47 9.156 -3.004 -3.053 1.00 0.00 C ATOM 744 NE ARG A 47 9.540 -2.147 -1.909 1.00 0.00 N ATOM 745 CZ ARG A 47 9.577 -2.564 -0.637 1.00 0.00 C ATOM 746 NH1 ARG A 47 9.254 -3.830 -0.337 1.00 0.00 N ATOM 747 NH2 ARG A 47 9.938 -1.716 0.336 1.00 0.00 N ATOM 0 H ARG A 47 8.460 -6.245 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 47 8.430 -5.041 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.282 -5.436 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.082 -5.808 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.278 -3.387 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.485 -3.622 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.743 -2.391 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.375 -3.701 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 47 9.792 -1.178 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.980 -4.476 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.282 -4.148 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.185 -0.753 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.966 -2.034 1.305 1.00 0.00 H new ATOM 761 N SER A 48 8.802 -8.185 -4.291 1.00 0.00 N ATOM 762 CA SER A 48 9.019 -9.402 -5.055 1.00 0.00 C ATOM 763 C SER A 48 7.917 -9.567 -6.102 1.00 0.00 C ATOM 764 O SER A 48 7.828 -10.604 -6.758 1.00 0.00 O ATOM 765 CB SER A 48 9.069 -10.626 -4.139 1.00 0.00 C ATOM 766 OG SER A 48 10.405 -10.979 -3.791 1.00 0.00 O ATOM 0 H SER A 48 8.304 -8.317 -3.411 1.00 0.00 H new ATOM 0 HA SER A 48 9.981 -9.321 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.500 -10.423 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.589 -11.470 -4.635 1.00 0.00 H new ATOM 0 HG SER A 48 10.394 -11.764 -3.204 1.00 0.00 H new ATOM 772 N GLY A 49 7.103 -8.528 -6.227 1.00 0.00 N ATOM 773 CA GLY A 49 6.010 -8.545 -7.184 1.00 0.00 C ATOM 774 C GLY A 49 4.862 -9.428 -6.689 1.00 0.00 C ATOM 775 O GLY A 49 3.952 -9.752 -7.450 1.00 0.00 O ATOM 0 H GLY A 49 7.179 -7.670 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.649 -7.530 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.369 -8.914 -8.145 1.00 0.00 H new ATOM 779 N GLN A 50 4.943 -9.791 -5.418 1.00 0.00 N ATOM 780 CA GLN A 50 3.922 -10.630 -4.813 1.00 0.00 C ATOM 781 C GLN A 50 2.852 -9.765 -4.145 1.00 0.00 C ATOM 782 O GLN A 50 3.143 -8.671 -3.665 1.00 0.00 O ATOM 783 CB GLN A 50 4.540 -11.609 -3.812 1.00 0.00 C ATOM 784 CG GLN A 50 5.175 -12.801 -4.531 1.00 0.00 C ATOM 785 CD GLN A 50 6.576 -13.087 -3.986 1.00 0.00 C ATOM 786 OE1 GLN A 50 7.022 -12.503 -3.012 1.00 0.00 O ATOM 787 NE2 GLN A 50 7.241 -14.016 -4.666 1.00 0.00 N ATOM 0 H GLN A 50 5.700 -9.520 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 50 3.448 -11.217 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.294 -11.096 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.773 -11.962 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.546 -13.682 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.231 -12.597 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.808 -14.466 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.184 -14.279 -4.381 1.00 0.00 H new ATOM 796 N ALA A 51 1.635 -10.289 -4.135 1.00 0.00 N ATOM 797 CA ALA A 51 0.519 -9.578 -3.533 1.00 0.00 C ATOM 798 C ALA A 51 -0.298 -10.549 -2.679 1.00 0.00 C ATOM 799 O ALA A 51 -0.661 -11.631 -3.138 1.00 0.00 O ATOM 800 CB ALA A 51 -0.319 -8.920 -4.631 1.00 0.00 C ATOM 0 H ALA A 51 1.397 -11.197 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 51 0.878 -8.785 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.156 -8.387 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.300 -8.218 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.699 -9.686 -5.307 1.00 0.00 H new ATOM 806 N GLY A 52 -0.563 -10.128 -1.451 1.00 0.00 N ATOM 807 CA GLY A 52 -1.331 -10.947 -0.529 1.00 0.00 C ATOM 808 C GLY A 52 -2.114 -10.077 0.456 1.00 0.00 C ATOM 809 O GLY A 52 -1.829 -8.890 0.604 1.00 0.00 O ATOM 0 H GLY A 52 -0.260 -9.230 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.020 -11.581 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.661 -11.610 0.019 1.00 0.00 H new ATOM 813 N TYR A 53 -3.086 -10.702 1.105 1.00 0.00 N ATOM 814 CA TYR A 53 -3.913 -9.999 2.071 1.00 0.00 C ATOM 815 C TYR A 53 -3.372 -10.182 3.491 1.00 0.00 C ATOM 816 O TYR A 53 -2.782 -11.214 3.806 1.00 0.00 O ATOM 817 CB TYR A 53 -5.301 -10.636 1.981 1.00 0.00 C ATOM 818 CG TYR A 53 -6.105 -10.204 0.752 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.606 -8.921 0.672 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.328 -11.098 -0.275 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.362 -8.515 -0.484 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.084 -10.692 -1.431 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.564 -9.421 -1.479 1.00 0.00 C ATOM 824 OH TYR A 53 -8.279 -9.037 -2.571 1.00 0.00 O ATOM 0 H TYR A 53 -3.319 -11.687 0.981 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.929 -8.930 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.192 -11.720 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.865 -10.383 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.431 -8.222 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.936 -12.102 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.760 -7.514 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.266 -11.382 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.343 -9.786 -3.200 1.00 0.00 H new ATOM 834 N VAL A 54 -3.594 -9.164 4.310 1.00 0.00 N ATOM 835 CA VAL A 54 -3.136 -9.200 5.688 1.00 0.00 C ATOM 836 C VAL A 54 -4.078 -8.361 6.555 1.00 0.00 C ATOM 837 O VAL A 54 -4.864 -7.569 6.038 1.00 0.00 O ATOM 838 CB VAL A 54 -1.680 -8.738 5.769 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.728 -9.935 5.828 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.331 -7.817 4.598 1.00 0.00 C ATOM 0 H VAL A 54 -4.085 -8.310 4.045 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.161 -10.220 6.072 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.560 -8.168 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.301 -9.579 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.953 -10.536 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.852 -10.543 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.290 -7.503 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.476 -8.351 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.977 -6.940 4.620 1.00 0.00 H new ATOM 850 N PRO A 55 -3.964 -8.569 7.895 1.00 0.00 N ATOM 851 CA PRO A 55 -4.796 -7.842 8.838 1.00 0.00 C ATOM 852 C PRO A 55 -4.319 -6.396 8.988 1.00 0.00 C ATOM 853 O PRO A 55 -3.124 -6.120 8.895 1.00 0.00 O ATOM 854 CB PRO A 55 -4.706 -8.633 10.133 1.00 0.00 C ATOM 855 CG PRO A 55 -3.469 -9.507 10.003 1.00 0.00 C ATOM 856 CD PRO A 55 -3.045 -9.499 8.543 1.00 0.00 C ATOM 0 HA PRO A 55 -5.832 -7.759 8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.625 -7.967 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.599 -9.240 10.283 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.666 -9.129 10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.683 -10.524 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.010 -9.174 8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.115 -10.495 8.105 1.00 0.00 H new ATOM 864 N CYS A 56 -5.278 -5.511 9.216 1.00 0.00 N ATOM 865 CA CYS A 56 -4.971 -4.100 9.379 1.00 0.00 C ATOM 866 C CYS A 56 -4.597 -3.856 10.843 1.00 0.00 C ATOM 867 O CYS A 56 -4.262 -2.735 11.223 1.00 0.00 O ATOM 868 CB CYS A 56 -6.134 -3.212 8.931 1.00 0.00 C ATOM 869 SG CYS A 56 -7.661 -3.684 9.823 1.00 0.00 S ATOM 0 H CYS A 56 -6.268 -5.744 9.292 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.129 -3.832 8.740 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.899 -2.165 9.124 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.285 -3.311 7.856 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.358 -4.499 9.089 1.00 0.00 H new ATOM 875 N ASN A 57 -4.668 -4.923 11.625 1.00 0.00 N ATOM 876 CA ASN A 57 -4.342 -4.838 13.038 1.00 0.00 C ATOM 877 C ASN A 57 -2.831 -4.661 13.198 1.00 0.00 C ATOM 878 O ASN A 57 -2.365 -4.173 14.227 1.00 0.00 O ATOM 879 CB ASN A 57 -4.749 -6.116 13.774 1.00 0.00 C ATOM 880 CG ASN A 57 -5.897 -5.846 14.749 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.145 -4.724 15.160 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.580 -6.933 15.094 1.00 0.00 N ATOM 0 H ASN A 57 -4.947 -5.851 11.307 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.883 -3.991 13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.051 -6.875 13.052 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.892 -6.516 14.317 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.365 -6.858 15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.319 -7.842 14.712 1.00 0.00 H new ATOM 889 N ILE A 58 -2.107 -5.067 12.165 1.00 0.00 N ATOM 890 CA ILE A 58 -0.658 -4.959 12.179 1.00 0.00 C ATOM 891 C ILE A 58 -0.230 -3.786 11.294 1.00 0.00 C ATOM 892 O ILE A 58 0.865 -3.249 11.456 1.00 0.00 O ATOM 893 CB ILE A 58 -0.017 -6.291 11.785 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.355 -6.655 10.338 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.413 -7.400 12.762 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.191 -8.039 9.979 1.00 0.00 C ATOM 0 H ILE A 58 -2.497 -5.471 11.313 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.302 -4.746 13.187 1.00 0.00 H new ATOM 0 HB ILE A 58 1.066 -6.180 11.845 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.436 -6.639 10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.065 -5.908 9.664 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.056 -8.336 12.459 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.081 -7.136 13.766 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.496 -7.519 12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.063 -8.273 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.275 -8.044 10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.249 -8.786 10.639 1.00 0.00 H new ATOM 908 N LEU A 59 -1.116 -3.422 10.379 1.00 0.00 N ATOM 909 CA LEU A 59 -0.844 -2.323 9.469 1.00 0.00 C ATOM 910 C LEU A 59 -0.765 -1.017 10.262 1.00 0.00 C ATOM 911 O LEU A 59 -1.129 -0.977 11.437 1.00 0.00 O ATOM 912 CB LEU A 59 -1.876 -2.294 8.340 1.00 0.00 C ATOM 913 CG LEU A 59 -1.862 -3.492 7.388 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.950 -3.356 6.320 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.475 -3.686 6.772 1.00 0.00 C ATOM 0 H LEU A 59 -2.023 -3.869 10.248 1.00 0.00 H new ATOM 0 HA LEU A 59 0.122 -2.461 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.869 -2.219 8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.720 -1.388 7.755 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.087 -4.390 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.919 -4.220 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.927 -3.303 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.780 -2.448 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.492 -4.544 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.197 -2.792 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.254 -3.860 7.564 1.00 0.00 H new ATOM 927 N GLY A 60 -0.286 0.019 9.589 1.00 0.00 N ATOM 928 CA GLY A 60 -0.154 1.323 10.217 1.00 0.00 C ATOM 929 C GLY A 60 0.146 2.404 9.177 1.00 0.00 C ATOM 930 O GLY A 60 0.720 2.118 8.127 1.00 0.00 O ATOM 0 H GLY A 60 0.015 -0.018 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.073 1.570 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.645 1.295 10.958 1.00 0.00 H new ATOM 934 N GLU A 61 -0.255 3.623 9.506 1.00 0.00 N ATOM 935 CA GLU A 61 -0.036 4.749 8.613 1.00 0.00 C ATOM 936 C GLU A 61 1.461 4.954 8.375 1.00 0.00 C ATOM 937 O GLU A 61 2.277 4.673 9.251 1.00 0.00 O ATOM 938 CB GLU A 61 -0.683 6.021 9.166 1.00 0.00 C ATOM 939 CG GLU A 61 -0.447 6.145 10.672 1.00 0.00 C ATOM 940 CD GLU A 61 -1.752 5.962 11.449 1.00 0.00 C ATOM 941 OE1 GLU A 61 -2.309 4.846 11.367 1.00 0.00 O ATOM 942 OE2 GLU A 61 -2.164 6.942 12.107 1.00 0.00 O ATOM 0 H GLU A 61 -0.730 3.856 10.378 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.509 4.527 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.273 6.893 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.754 6.007 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.279 5.398 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.019 7.122 10.897 1.00 0.00 H new ATOM 949 N ALA A 62 1.777 5.443 7.184 1.00 0.00 N ATOM 950 CA ALA A 62 3.162 5.689 6.820 1.00 0.00 C ATOM 951 C ALA A 62 3.316 7.144 6.374 1.00 0.00 C ATOM 952 O ALA A 62 2.520 7.641 5.579 1.00 0.00 O ATOM 953 CB ALA A 62 3.588 4.698 5.735 1.00 0.00 C ATOM 0 H ALA A 62 1.098 5.675 6.459 1.00 0.00 H new ATOM 0 HA ALA A 62 3.818 5.536 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.627 4.882 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.487 3.680 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.954 4.825 4.857 1.00 0.00 H new ATOM 959 N SER A 63 4.346 7.786 6.904 1.00 0.00 N ATOM 960 CA SER A 63 4.615 9.175 6.571 1.00 0.00 C ATOM 961 C SER A 63 5.616 9.251 5.416 1.00 0.00 C ATOM 962 O SER A 63 5.380 9.948 4.430 1.00 0.00 O ATOM 963 CB SER A 63 5.147 9.940 7.784 1.00 0.00 C ATOM 964 OG SER A 63 4.097 10.359 8.653 1.00 0.00 O ATOM 0 H SER A 63 5.005 7.370 7.562 1.00 0.00 H new ATOM 0 HA SER A 63 3.678 9.640 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.843 9.307 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.707 10.812 7.446 1.00 0.00 H new ATOM 0 HG SER A 63 4.477 10.842 9.416 1.00 0.00 H new ATOM 970 N GLY A 64 6.712 8.524 5.575 1.00 0.00 N ATOM 971 CA GLY A 64 7.749 8.501 4.558 1.00 0.00 C ATOM 972 C GLY A 64 9.115 8.840 5.159 1.00 0.00 C ATOM 973 O GLY A 64 9.199 9.303 6.296 1.00 0.00 O ATOM 0 H GLY A 64 6.904 7.946 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.786 7.515 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.507 9.215 3.771 1.00 0.00 H new ATOM 977 N PRO A 65 10.178 8.590 4.349 1.00 0.00 N ATOM 978 CA PRO A 65 11.535 8.864 4.789 1.00 0.00 C ATOM 979 C PRO A 65 11.826 10.366 4.766 1.00 0.00 C ATOM 980 O PRO A 65 12.570 10.870 5.606 1.00 0.00 O ATOM 981 CB PRO A 65 12.423 8.072 3.843 1.00 0.00 C ATOM 982 CG PRO A 65 11.563 7.758 2.629 1.00 0.00 C ATOM 983 CD PRO A 65 10.116 8.042 2.997 1.00 0.00 C ATOM 0 HA PRO A 65 11.711 8.565 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.304 8.648 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.780 7.157 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.867 8.367 1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.684 6.716 2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.663 8.750 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.514 7.134 2.965 1.00 0.00 H new ATOM 991 N SER A 66 11.225 11.038 3.795 1.00 0.00 N ATOM 992 CA SER A 66 11.411 12.471 3.651 1.00 0.00 C ATOM 993 C SER A 66 10.457 13.219 4.585 1.00 0.00 C ATOM 994 O SER A 66 9.291 12.849 4.713 1.00 0.00 O ATOM 995 CB SER A 66 11.190 12.913 2.203 1.00 0.00 C ATOM 996 OG SER A 66 11.300 14.326 2.053 1.00 0.00 O ATOM 0 H SER A 66 10.609 10.616 3.100 1.00 0.00 H new ATOM 0 HA SER A 66 12.439 12.711 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.920 12.422 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.203 12.589 1.872 1.00 0.00 H new ATOM 0 HG SER A 66 11.154 14.568 1.115 1.00 0.00 H new ATOM 1002 N SER A 67 10.988 14.257 5.214 1.00 0.00 N ATOM 1003 CA SER A 67 10.199 15.060 6.132 1.00 0.00 C ATOM 1004 C SER A 67 9.616 14.173 7.234 1.00 0.00 C ATOM 1005 O SER A 67 8.454 13.774 7.166 1.00 0.00 O ATOM 1006 CB SER A 67 9.078 15.797 5.396 1.00 0.00 C ATOM 1007 OG SER A 67 9.579 16.608 4.337 1.00 0.00 O ATOM 0 H SER A 67 11.956 14.560 5.106 1.00 0.00 H new ATOM 0 HA SER A 67 10.853 15.806 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.370 15.072 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.529 16.420 6.102 1.00 0.00 H new ATOM 0 HG SER A 67 8.833 17.061 3.891 1.00 0.00 H new ATOM 1013 N GLY A 68 10.449 13.889 8.225 1.00 0.00 N ATOM 1014 CA GLY A 68 10.031 13.057 9.340 1.00 0.00 C ATOM 1015 C GLY A 68 10.219 13.788 10.671 1.00 0.00 C ATOM 1016 O GLY A 68 9.245 14.188 11.306 1.00 0.00 O ATOM 0 H GLY A 68 11.412 14.221 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.984 12.779 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.608 12.132 9.344 1.00 0.00 H new TER 1020 GLY A 68