USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 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 5 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc=0.000153 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.239 K(o=0.24,f=-2.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 48 SER OG : rot -35:sc= 0.552 USER MOD Single : A 50 GLN : amide:sc= 0.212 X(o=0.21,f=-0.19) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0176 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.0104 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.971 7.058 -7.368 1.00 0.00 N ATOM 2 CA GLY A 1 15.636 6.704 -6.917 1.00 0.00 C ATOM 3 C GLY A 1 14.574 7.535 -7.639 1.00 0.00 C ATOM 4 O GLY A 1 14.653 8.763 -7.665 1.00 0.00 O ATOM 0 H1 GLY A 1 17.673 6.480 -6.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.050 6.883 -8.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.147 8.064 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.457 5.644 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.558 6.863 -5.841 1.00 0.00 H new ATOM 8 N SER A 2 13.605 6.833 -8.208 1.00 0.00 N ATOM 9 CA SER A 2 12.528 7.491 -8.929 1.00 0.00 C ATOM 10 C SER A 2 11.186 7.180 -8.264 1.00 0.00 C ATOM 11 O SER A 2 11.090 6.261 -7.451 1.00 0.00 O ATOM 12 CB SER A 2 12.506 7.062 -10.397 1.00 0.00 C ATOM 13 OG SER A 2 11.845 8.017 -11.223 1.00 0.00 O ATOM 0 H SER A 2 13.543 5.815 -8.184 1.00 0.00 H new ATOM 0 HA SER A 2 12.701 8.567 -8.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.528 6.924 -10.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.005 6.098 -10.485 1.00 0.00 H new ATOM 0 HG SER A 2 11.854 7.707 -12.153 1.00 0.00 H new ATOM 19 N SER A 3 10.183 7.962 -8.634 1.00 0.00 N ATOM 20 CA SER A 3 8.851 7.782 -8.083 1.00 0.00 C ATOM 21 C SER A 3 8.532 6.290 -7.963 1.00 0.00 C ATOM 22 O SER A 3 8.339 5.780 -6.860 1.00 0.00 O ATOM 23 CB SER A 3 7.799 8.481 -8.946 1.00 0.00 C ATOM 24 OG SER A 3 7.706 9.873 -8.651 1.00 0.00 O ATOM 0 H SER A 3 10.266 8.722 -9.309 1.00 0.00 H new ATOM 0 HA SER A 3 8.827 8.234 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.048 8.349 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.829 8.011 -8.787 1.00 0.00 H new ATOM 0 HG SER A 3 7.025 10.284 -9.224 1.00 0.00 H new ATOM 30 N GLY A 4 8.486 5.633 -9.112 1.00 0.00 N ATOM 31 CA GLY A 4 8.194 4.210 -9.150 1.00 0.00 C ATOM 32 C GLY A 4 6.805 3.920 -8.579 1.00 0.00 C ATOM 33 O GLY A 4 6.681 3.329 -7.507 1.00 0.00 O ATOM 0 H GLY A 4 8.646 6.060 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.251 3.851 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.947 3.665 -8.580 1.00 0.00 H new ATOM 37 N SER A 5 5.794 4.350 -9.320 1.00 0.00 N ATOM 38 CA SER A 5 4.418 4.144 -8.901 1.00 0.00 C ATOM 39 C SER A 5 4.152 4.889 -7.592 1.00 0.00 C ATOM 40 O SER A 5 4.312 4.327 -6.510 1.00 0.00 O ATOM 41 CB SER A 5 4.110 2.654 -8.736 1.00 0.00 C ATOM 42 OG SER A 5 2.720 2.377 -8.886 1.00 0.00 O ATOM 0 H SER A 5 5.900 4.840 -10.208 1.00 0.00 H new ATOM 0 HA SER A 5 3.762 4.540 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.675 2.083 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.442 2.322 -7.752 1.00 0.00 H new ATOM 0 HG SER A 5 2.564 1.416 -8.776 1.00 0.00 H new ATOM 48 N SER A 6 3.752 6.144 -7.734 1.00 0.00 N ATOM 49 CA SER A 6 3.463 6.973 -6.575 1.00 0.00 C ATOM 50 C SER A 6 2.105 6.589 -5.984 1.00 0.00 C ATOM 51 O SER A 6 1.212 6.148 -6.705 1.00 0.00 O ATOM 52 CB SER A 6 3.482 8.458 -6.942 1.00 0.00 C ATOM 53 OG SER A 6 4.765 9.043 -6.733 1.00 0.00 O ATOM 0 H SER A 6 3.621 6.607 -8.633 1.00 0.00 H new ATOM 0 HA SER A 6 4.239 6.801 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.195 8.577 -7.987 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.740 8.989 -6.345 1.00 0.00 H new ATOM 0 HG SER A 6 4.737 9.991 -6.980 1.00 0.00 H new ATOM 59 N GLY A 7 1.992 6.772 -4.676 1.00 0.00 N ATOM 60 CA GLY A 7 0.758 6.451 -3.980 1.00 0.00 C ATOM 61 C GLY A 7 0.950 6.522 -2.463 1.00 0.00 C ATOM 62 O GLY A 7 1.566 7.458 -1.955 1.00 0.00 O ATOM 0 H GLY A 7 2.735 7.138 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.026 7.144 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.427 5.452 -4.262 1.00 0.00 H new ATOM 66 N LYS A 8 0.411 5.521 -1.783 1.00 0.00 N ATOM 67 CA LYS A 8 0.515 5.459 -0.335 1.00 0.00 C ATOM 68 C LYS A 8 1.235 4.170 0.065 1.00 0.00 C ATOM 69 O LYS A 8 1.425 3.278 -0.761 1.00 0.00 O ATOM 70 CB LYS A 8 -0.863 5.619 0.309 1.00 0.00 C ATOM 71 CG LYS A 8 -1.052 7.036 0.855 1.00 0.00 C ATOM 72 CD LYS A 8 -2.477 7.237 1.375 1.00 0.00 C ATOM 73 CE LYS A 8 -2.539 7.050 2.892 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.656 8.360 3.571 1.00 0.00 N ATOM 0 H LYS A 8 -0.099 4.746 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 8 1.114 6.289 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.639 5.402 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.977 4.896 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.339 7.218 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.841 7.763 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.826 8.236 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.148 6.528 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.391 6.421 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.644 6.533 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.697 8.215 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.830 8.947 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.523 8.839 3.254 1.00 0.00 H new ATOM 88 N TYR A 9 1.617 4.111 1.333 1.00 0.00 N ATOM 89 CA TYR A 9 2.311 2.946 1.853 1.00 0.00 C ATOM 90 C TYR A 9 1.887 2.652 3.293 1.00 0.00 C ATOM 91 O TYR A 9 1.227 3.472 3.929 1.00 0.00 O ATOM 92 CB TYR A 9 3.800 3.299 1.833 1.00 0.00 C ATOM 93 CG TYR A 9 4.359 3.561 0.434 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.611 2.505 -0.418 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.612 4.854 0.023 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.137 2.752 -1.736 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.138 5.102 -1.294 1.00 0.00 C ATOM 98 CZ TYR A 9 5.374 4.039 -2.109 1.00 0.00 C ATOM 99 OH TYR A 9 5.872 4.272 -3.353 1.00 0.00 O ATOM 0 H TYR A 9 1.458 4.852 2.015 1.00 0.00 H new ATOM 0 HA TYR A 9 2.082 2.064 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.961 4.184 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.362 2.485 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.414 1.493 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.415 5.680 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.339 1.935 -2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.341 6.109 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 9 5.990 5.236 -3.483 1.00 0.00 H new ATOM 109 N VAL A 10 2.285 1.480 3.766 1.00 0.00 N ATOM 110 CA VAL A 10 1.954 1.068 5.119 1.00 0.00 C ATOM 111 C VAL A 10 3.203 0.494 5.792 1.00 0.00 C ATOM 112 O VAL A 10 3.935 -0.288 5.187 1.00 0.00 O ATOM 113 CB VAL A 10 0.783 0.084 5.096 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.243 -1.306 4.651 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.091 0.023 6.459 1.00 0.00 C ATOM 0 H VAL A 10 2.834 0.803 3.236 1.00 0.00 H new ATOM 0 HA VAL A 10 1.629 1.925 5.710 1.00 0.00 H new ATOM 0 HB VAL A 10 0.057 0.445 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.391 -1.986 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.668 -1.245 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.998 -1.678 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.738 -0.684 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.805 -0.302 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.288 1.011 6.719 1.00 0.00 H new ATOM 125 N LYS A 11 3.408 0.905 7.035 1.00 0.00 N ATOM 126 CA LYS A 11 4.556 0.442 7.797 1.00 0.00 C ATOM 127 C LYS A 11 4.156 -0.786 8.617 1.00 0.00 C ATOM 128 O LYS A 11 3.237 -0.721 9.431 1.00 0.00 O ATOM 129 CB LYS A 11 5.135 1.581 8.638 1.00 0.00 C ATOM 130 CG LYS A 11 6.059 1.040 9.731 1.00 0.00 C ATOM 131 CD LYS A 11 7.304 1.917 9.881 1.00 0.00 C ATOM 132 CE LYS A 11 8.148 1.471 11.077 1.00 0.00 C ATOM 133 NZ LYS A 11 8.956 2.599 11.590 1.00 0.00 N ATOM 0 H LYS A 11 2.799 1.553 7.534 1.00 0.00 H new ATOM 0 HA LYS A 11 5.358 0.131 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.688 2.267 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.324 2.152 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.522 1.000 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.356 0.019 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.901 1.866 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.007 2.958 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.499 1.092 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.803 0.651 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.523 2.279 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.589 2.942 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.325 3.369 11.890 1.00 0.00 H new ATOM 147 N ILE A 12 4.866 -1.878 8.372 1.00 0.00 N ATOM 148 CA ILE A 12 4.597 -3.119 9.078 1.00 0.00 C ATOM 149 C ILE A 12 4.939 -2.943 10.559 1.00 0.00 C ATOM 150 O ILE A 12 6.108 -2.811 10.918 1.00 0.00 O ATOM 151 CB ILE A 12 5.331 -4.284 8.411 1.00 0.00 C ATOM 152 CG1 ILE A 12 5.032 -4.335 6.912 1.00 0.00 C ATOM 153 CG2 ILE A 12 5.004 -5.608 9.106 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.524 -4.363 6.654 1.00 0.00 C ATOM 0 H ILE A 12 5.627 -1.929 7.695 1.00 0.00 H new ATOM 0 HA ILE A 12 3.537 -3.367 9.023 1.00 0.00 H new ATOM 0 HB ILE A 12 6.403 -4.119 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.473 -3.468 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.496 -5.219 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.538 -6.420 8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.309 -5.555 10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.931 -5.793 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.339 -4.399 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.090 -5.244 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.067 -3.466 7.071 1.00 0.00 H new ATOM 166 N LEU A 13 3.898 -2.949 11.378 1.00 0.00 N ATOM 167 CA LEU A 13 4.074 -2.792 12.812 1.00 0.00 C ATOM 168 C LEU A 13 4.583 -4.107 13.406 1.00 0.00 C ATOM 169 O LEU A 13 5.279 -4.105 14.421 1.00 0.00 O ATOM 170 CB LEU A 13 2.783 -2.284 13.458 1.00 0.00 C ATOM 171 CG LEU A 13 2.250 -0.950 12.932 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.937 -0.574 13.621 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.303 0.152 13.067 1.00 0.00 C ATOM 0 H LEU A 13 2.930 -3.060 11.076 1.00 0.00 H new ATOM 0 HA LEU A 13 4.828 -2.034 13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.010 -3.040 13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.950 -2.188 14.531 1.00 0.00 H new ATOM 0 HG LEU A 13 2.035 -1.063 11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.580 0.378 13.229 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.192 -1.347 13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.102 -0.485 14.695 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.899 1.090 12.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.571 0.272 14.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.190 -0.120 12.495 1.00 0.00 H new ATOM 185 N TYR A 14 4.216 -5.197 12.749 1.00 0.00 N ATOM 186 CA TYR A 14 4.627 -6.516 13.200 1.00 0.00 C ATOM 187 C TYR A 14 4.946 -7.426 12.012 1.00 0.00 C ATOM 188 O TYR A 14 4.304 -7.337 10.967 1.00 0.00 O ATOM 189 CB TYR A 14 3.432 -7.092 13.962 1.00 0.00 C ATOM 190 CG TYR A 14 2.979 -6.236 15.147 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.771 -6.142 16.273 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.778 -5.559 15.089 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.345 -5.336 17.388 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.351 -4.754 16.204 1.00 0.00 C ATOM 195 CZ TYR A 14 2.156 -4.682 17.298 1.00 0.00 C ATOM 196 OH TYR A 14 1.753 -3.922 18.351 1.00 0.00 O ATOM 0 H TYR A 14 3.639 -5.194 11.908 1.00 0.00 H new ATOM 0 HA TYR A 14 5.523 -6.449 13.817 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.597 -7.210 13.272 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.690 -8.087 14.323 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.710 -6.673 16.318 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.158 -5.633 14.208 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.956 -5.253 18.275 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.413 -4.220 16.172 1.00 0.00 H new ATOM 0 HH TYR A 14 0.886 -3.513 18.146 1.00 0.00 H new ATOM 206 N ASP A 15 5.937 -8.282 12.213 1.00 0.00 N ATOM 207 CA ASP A 15 6.349 -9.208 11.171 1.00 0.00 C ATOM 208 C ASP A 15 5.285 -10.296 11.013 1.00 0.00 C ATOM 209 O ASP A 15 4.925 -10.963 11.981 1.00 0.00 O ATOM 210 CB ASP A 15 7.671 -9.889 11.531 1.00 0.00 C ATOM 211 CG ASP A 15 7.699 -10.563 12.904 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.905 -9.828 13.893 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.514 -11.799 12.933 1.00 0.00 O ATOM 0 H ASP A 15 6.467 -8.354 13.082 1.00 0.00 H new ATOM 0 HA ASP A 15 6.474 -8.643 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.895 -10.637 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.468 -9.146 11.492 1.00 0.00 H new ATOM 218 N PHE A 16 4.812 -10.441 9.784 1.00 0.00 N ATOM 219 CA PHE A 16 3.796 -11.437 9.486 1.00 0.00 C ATOM 220 C PHE A 16 4.251 -12.362 8.355 1.00 0.00 C ATOM 221 O PHE A 16 4.937 -11.929 7.431 1.00 0.00 O ATOM 222 CB PHE A 16 2.545 -10.679 9.037 1.00 0.00 C ATOM 223 CG PHE A 16 1.337 -11.578 8.768 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.633 -12.100 9.809 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.965 -11.855 7.489 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.489 -12.934 9.559 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.157 -12.689 7.240 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.860 -13.211 8.281 1.00 0.00 C ATOM 0 H PHE A 16 5.113 -9.886 8.983 1.00 0.00 H new ATOM 0 HA PHE A 16 3.606 -12.050 10.367 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.280 -9.950 9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.777 -10.119 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.927 -11.880 10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.523 -11.440 6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.048 -13.348 10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.452 -12.909 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.713 -13.846 8.092 1.00 0.00 H new ATOM 238 N THR A 17 3.851 -13.621 8.466 1.00 0.00 N ATOM 239 CA THR A 17 4.208 -14.611 7.465 1.00 0.00 C ATOM 240 C THR A 17 2.950 -15.238 6.862 1.00 0.00 C ATOM 241 O THR A 17 2.200 -15.924 7.555 1.00 0.00 O ATOM 242 CB THR A 17 5.141 -15.631 8.121 1.00 0.00 C ATOM 243 OG1 THR A 17 6.395 -14.958 8.194 1.00 0.00 O ATOM 244 CG2 THR A 17 5.417 -16.836 7.220 1.00 0.00 C ATOM 0 H THR A 17 3.283 -13.977 9.235 1.00 0.00 H new ATOM 0 HA THR A 17 4.738 -14.155 6.629 1.00 0.00 H new ATOM 0 HB THR A 17 4.704 -15.972 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.059 -15.547 8.609 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.084 -17.529 7.733 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.479 -17.340 6.989 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.885 -16.499 6.295 1.00 0.00 H new ATOM 252 N ALA A 18 2.756 -14.980 5.577 1.00 0.00 N ATOM 253 CA ALA A 18 1.602 -15.510 4.872 1.00 0.00 C ATOM 254 C ALA A 18 1.352 -16.951 5.324 1.00 0.00 C ATOM 255 O ALA A 18 2.185 -17.828 5.103 1.00 0.00 O ATOM 256 CB ALA A 18 1.831 -15.404 3.363 1.00 0.00 C ATOM 0 H ALA A 18 3.380 -14.410 5.005 1.00 0.00 H new ATOM 0 HA ALA A 18 0.709 -14.930 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.965 -15.802 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.974 -14.359 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.717 -15.976 3.088 1.00 0.00 H new ATOM 262 N ARG A 19 0.200 -17.150 5.948 1.00 0.00 N ATOM 263 CA ARG A 19 -0.170 -18.469 6.433 1.00 0.00 C ATOM 264 C ARG A 19 -1.020 -19.198 5.390 1.00 0.00 C ATOM 265 O ARG A 19 -1.213 -20.410 5.479 1.00 0.00 O ATOM 266 CB ARG A 19 -0.953 -18.374 7.744 1.00 0.00 C ATOM 267 CG ARG A 19 -0.224 -17.487 8.755 1.00 0.00 C ATOM 268 CD ARG A 19 1.030 -18.182 9.290 1.00 0.00 C ATOM 269 NE ARG A 19 0.647 -19.307 10.172 1.00 0.00 N ATOM 270 CZ ARG A 19 1.437 -20.357 10.435 1.00 0.00 C ATOM 271 NH1 ARG A 19 2.656 -20.433 9.886 1.00 0.00 N ATOM 272 NH2 ARG A 19 1.007 -21.332 11.248 1.00 0.00 N ATOM 0 H ARG A 19 -0.489 -16.420 6.129 1.00 0.00 H new ATOM 0 HA ARG A 19 0.749 -19.027 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.946 -17.970 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.091 -19.371 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.052 -16.543 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.892 -17.247 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.635 -18.549 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.644 -17.469 9.841 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.275 -19.282 10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.984 -19.691 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.257 -21.233 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.079 -21.275 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.608 -22.131 11.448 1.00 0.00 H new ATOM 286 N ASN A 20 -1.506 -18.429 4.427 1.00 0.00 N ATOM 287 CA ASN A 20 -2.331 -18.987 3.369 1.00 0.00 C ATOM 288 C ASN A 20 -1.830 -18.478 2.015 1.00 0.00 C ATOM 289 O ASN A 20 -0.815 -17.787 1.945 1.00 0.00 O ATOM 290 CB ASN A 20 -3.791 -18.557 3.524 1.00 0.00 C ATOM 291 CG ASN A 20 -4.649 -19.710 4.050 1.00 0.00 C ATOM 292 OD1 ASN A 20 -5.494 -20.254 3.359 1.00 0.00 O ATOM 293 ND2 ASN A 20 -4.385 -20.050 5.308 1.00 0.00 N ATOM 0 H ASN A 20 -1.344 -17.424 4.357 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.266 -20.073 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.854 -17.711 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.179 -18.220 2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.904 -20.808 5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.664 -19.553 5.830 1.00 0.00 H new ATOM 300 N ALA A 21 -2.565 -18.840 0.974 1.00 0.00 N ATOM 301 CA ALA A 21 -2.208 -18.429 -0.373 1.00 0.00 C ATOM 302 C ALA A 21 -2.678 -16.991 -0.605 1.00 0.00 C ATOM 303 O ALA A 21 -2.087 -16.261 -1.398 1.00 0.00 O ATOM 304 CB ALA A 21 -2.809 -19.409 -1.382 1.00 0.00 C ATOM 0 H ALA A 21 -3.406 -19.413 1.036 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.126 -18.447 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.541 -19.101 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.421 -20.410 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.894 -19.416 -1.280 1.00 0.00 H new ATOM 310 N ASN A 22 -3.738 -16.629 0.103 1.00 0.00 N ATOM 311 CA ASN A 22 -4.295 -15.292 -0.016 1.00 0.00 C ATOM 312 C ASN A 22 -3.679 -14.390 1.055 1.00 0.00 C ATOM 313 O ASN A 22 -4.381 -13.602 1.688 1.00 0.00 O ATOM 314 CB ASN A 22 -5.811 -15.306 0.193 1.00 0.00 C ATOM 315 CG ASN A 22 -6.541 -15.641 -1.110 1.00 0.00 C ATOM 316 OD1 ASN A 22 -6.863 -14.778 -1.910 1.00 0.00 O ATOM 317 ND2 ASN A 22 -6.782 -16.938 -1.276 1.00 0.00 N ATOM 0 H ASN A 22 -4.225 -17.238 0.760 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.072 -14.922 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.070 -16.039 0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.140 -14.333 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.264 -17.264 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.485 -17.607 -0.566 1.00 0.00 H new ATOM 324 N GLU A 23 -2.373 -14.536 1.227 1.00 0.00 N ATOM 325 CA GLU A 23 -1.654 -13.745 2.211 1.00 0.00 C ATOM 326 C GLU A 23 -0.274 -13.359 1.676 1.00 0.00 C ATOM 327 O GLU A 23 0.220 -13.966 0.727 1.00 0.00 O ATOM 328 CB GLU A 23 -1.538 -14.496 3.539 1.00 0.00 C ATOM 329 CG GLU A 23 -2.886 -15.086 3.955 1.00 0.00 C ATOM 330 CD GLU A 23 -2.961 -15.266 5.473 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.723 -14.260 6.176 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.254 -16.405 5.896 1.00 0.00 O ATOM 0 H GLU A 23 -1.794 -15.191 0.701 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.218 -12.831 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.801 -15.294 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.179 -13.819 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.692 -14.431 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.033 -16.048 3.463 1.00 0.00 H new ATOM 339 N LEU A 24 0.310 -12.352 2.308 1.00 0.00 N ATOM 340 CA LEU A 24 1.624 -11.878 1.908 1.00 0.00 C ATOM 341 C LEU A 24 2.570 -11.936 3.109 1.00 0.00 C ATOM 342 O LEU A 24 2.160 -11.677 4.239 1.00 0.00 O ATOM 343 CB LEU A 24 1.522 -10.491 1.271 1.00 0.00 C ATOM 344 CG LEU A 24 2.707 -10.063 0.403 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.502 -10.489 -1.052 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.965 -8.560 0.529 1.00 0.00 C ATOM 0 H LEU A 24 -0.103 -11.851 3.095 1.00 0.00 H new ATOM 0 HA LEU A 24 2.045 -12.526 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.620 -10.459 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.395 -9.756 2.066 1.00 0.00 H new ATOM 0 HG LEU A 24 3.599 -10.574 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.358 -10.173 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.405 -11.573 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.597 -10.025 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.812 -8.282 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.080 -8.011 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.187 -8.315 1.568 1.00 0.00 H new ATOM 358 N SER A 25 3.818 -12.277 2.823 1.00 0.00 N ATOM 359 CA SER A 25 4.826 -12.372 3.866 1.00 0.00 C ATOM 360 C SER A 25 5.606 -11.059 3.960 1.00 0.00 C ATOM 361 O SER A 25 6.319 -10.688 3.030 1.00 0.00 O ATOM 362 CB SER A 25 5.780 -13.539 3.605 1.00 0.00 C ATOM 363 OG SER A 25 6.053 -13.705 2.216 1.00 0.00 O ATOM 0 H SER A 25 4.154 -12.491 1.884 1.00 0.00 H new ATOM 0 HA SER A 25 4.321 -12.556 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.714 -13.370 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.347 -14.457 4.002 1.00 0.00 H new ATOM 0 HG SER A 25 6.667 -14.459 2.091 1.00 0.00 H new ATOM 369 N VAL A 26 5.444 -10.392 5.093 1.00 0.00 N ATOM 370 CA VAL A 26 6.124 -9.128 5.322 1.00 0.00 C ATOM 371 C VAL A 26 6.956 -9.226 6.602 1.00 0.00 C ATOM 372 O VAL A 26 6.871 -10.215 7.328 1.00 0.00 O ATOM 373 CB VAL A 26 5.107 -7.985 5.355 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.171 -8.048 4.147 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.315 -7.995 6.664 1.00 0.00 C ATOM 0 H VAL A 26 4.852 -10.703 5.863 1.00 0.00 H new ATOM 0 HA VAL A 26 6.811 -8.910 4.504 1.00 0.00 H new ATOM 0 HB VAL A 26 5.657 -7.045 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.459 -7.225 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.755 -7.969 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.632 -8.995 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.599 -7.173 6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.781 -8.941 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.999 -7.878 7.504 1.00 0.00 H new ATOM 385 N LEU A 27 7.741 -8.186 6.840 1.00 0.00 N ATOM 386 CA LEU A 27 8.588 -8.142 8.020 1.00 0.00 C ATOM 387 C LEU A 27 8.223 -6.915 8.859 1.00 0.00 C ATOM 388 O LEU A 27 7.495 -6.038 8.398 1.00 0.00 O ATOM 389 CB LEU A 27 10.064 -8.198 7.623 1.00 0.00 C ATOM 390 CG LEU A 27 11.071 -8.151 8.774 1.00 0.00 C ATOM 391 CD1 LEU A 27 10.864 -9.326 9.732 1.00 0.00 C ATOM 392 CD2 LEU A 27 12.506 -8.088 8.245 1.00 0.00 C ATOM 0 H LEU A 27 7.809 -7.367 6.236 1.00 0.00 H new ATOM 0 HA LEU A 27 8.417 -9.019 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.233 -9.114 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.271 -7.365 6.951 1.00 0.00 H new ATOM 0 HG LEU A 27 10.897 -7.238 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.592 -9.269 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.857 -9.284 10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.995 -10.263 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.202 -8.055 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.709 -8.971 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.630 -7.193 7.636 1.00 0.00 H new ATOM 404 N LYS A 28 8.747 -6.894 10.076 1.00 0.00 N ATOM 405 CA LYS A 28 8.485 -5.789 10.983 1.00 0.00 C ATOM 406 C LYS A 28 9.441 -4.637 10.667 1.00 0.00 C ATOM 407 O LYS A 28 10.616 -4.862 10.380 1.00 0.00 O ATOM 408 CB LYS A 28 8.553 -6.263 12.437 1.00 0.00 C ATOM 409 CG LYS A 28 8.180 -5.133 13.399 1.00 0.00 C ATOM 410 CD LYS A 28 8.915 -5.284 14.733 1.00 0.00 C ATOM 411 CE LYS A 28 8.033 -5.985 15.768 1.00 0.00 C ATOM 412 NZ LYS A 28 8.591 -7.313 16.109 1.00 0.00 N ATOM 0 H LYS A 28 9.351 -7.623 10.455 1.00 0.00 H new ATOM 0 HA LYS A 28 7.472 -5.411 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.877 -7.106 12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.559 -6.619 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.428 -4.171 12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.104 -5.137 13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.832 -5.855 14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.207 -4.302 15.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.960 -5.373 16.667 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.022 -6.098 15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.192 -7.635 17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.348 -7.994 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.625 -7.244 16.192 1.00 0.00 H new ATOM 426 N ASP A 29 8.902 -3.429 10.729 1.00 0.00 N ATOM 427 CA ASP A 29 9.692 -2.241 10.452 1.00 0.00 C ATOM 428 C ASP A 29 9.781 -2.035 8.939 1.00 0.00 C ATOM 429 O ASP A 29 10.465 -1.125 8.472 1.00 0.00 O ATOM 430 CB ASP A 29 11.115 -2.388 10.994 1.00 0.00 C ATOM 431 CG ASP A 29 11.227 -3.143 12.320 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.593 -2.680 13.292 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.945 -4.167 12.331 1.00 0.00 O ATOM 0 H ASP A 29 7.927 -3.247 10.967 1.00 0.00 H new ATOM 0 HA ASP A 29 9.208 -1.393 10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.721 -2.903 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.544 -1.394 11.122 1.00 0.00 H new ATOM 438 N GLU A 30 9.080 -2.894 8.214 1.00 0.00 N ATOM 439 CA GLU A 30 9.072 -2.817 6.763 1.00 0.00 C ATOM 440 C GLU A 30 7.909 -1.947 6.284 1.00 0.00 C ATOM 441 O GLU A 30 6.991 -1.655 7.050 1.00 0.00 O ATOM 442 CB GLU A 30 9.004 -4.213 6.140 1.00 0.00 C ATOM 443 CG GLU A 30 10.390 -4.681 5.691 1.00 0.00 C ATOM 444 CD GLU A 30 10.320 -5.375 4.329 1.00 0.00 C ATOM 445 OE1 GLU A 30 10.095 -6.604 4.330 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.493 -4.660 3.319 1.00 0.00 O ATOM 0 H GLU A 30 8.513 -3.647 8.604 1.00 0.00 H new ATOM 0 HA GLU A 30 10.004 -2.355 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.595 -4.918 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.326 -4.202 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.065 -3.827 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.804 -5.366 6.431 1.00 0.00 H new ATOM 453 N VAL A 31 7.985 -1.556 5.021 1.00 0.00 N ATOM 454 CA VAL A 31 6.949 -0.724 4.431 1.00 0.00 C ATOM 455 C VAL A 31 6.566 -1.288 3.061 1.00 0.00 C ATOM 456 O VAL A 31 7.406 -1.379 2.166 1.00 0.00 O ATOM 457 CB VAL A 31 7.419 0.731 4.368 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.369 1.617 3.697 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.769 1.254 5.762 1.00 0.00 C ATOM 0 H VAL A 31 8.748 -1.800 4.389 1.00 0.00 H new ATOM 0 HA VAL A 31 6.052 -0.736 5.050 1.00 0.00 H new ATOM 0 HB VAL A 31 8.323 0.766 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.728 2.646 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.190 1.263 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.440 1.574 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.100 2.290 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.889 1.198 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.568 0.647 6.188 1.00 0.00 H new ATOM 469 N LEU A 32 5.299 -1.653 2.940 1.00 0.00 N ATOM 470 CA LEU A 32 4.794 -2.206 1.695 1.00 0.00 C ATOM 471 C LEU A 32 3.864 -1.190 1.031 1.00 0.00 C ATOM 472 O LEU A 32 3.621 -0.115 1.577 1.00 0.00 O ATOM 473 CB LEU A 32 4.143 -3.569 1.939 1.00 0.00 C ATOM 474 CG LEU A 32 5.088 -4.701 2.346 1.00 0.00 C ATOM 475 CD1 LEU A 32 6.083 -5.014 1.226 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.793 -4.379 3.665 1.00 0.00 C ATOM 0 H LEU A 32 4.606 -1.577 3.684 1.00 0.00 H new ATOM 0 HA LEU A 32 5.613 -2.390 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.389 -3.455 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.621 -3.868 1.030 1.00 0.00 H new ATOM 0 HG LEU A 32 4.494 -5.600 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.743 -5.822 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.540 -5.317 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.676 -4.126 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.459 -5.200 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.373 -3.463 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.050 -4.245 4.451 1.00 0.00 H new ATOM 488 N GLU A 33 3.367 -1.566 -0.139 1.00 0.00 N ATOM 489 CA GLU A 33 2.468 -0.701 -0.884 1.00 0.00 C ATOM 490 C GLU A 33 1.042 -1.254 -0.841 1.00 0.00 C ATOM 491 O GLU A 33 0.826 -2.441 -1.078 1.00 0.00 O ATOM 492 CB GLU A 33 2.946 -0.526 -2.327 1.00 0.00 C ATOM 493 CG GLU A 33 1.926 0.264 -3.150 1.00 0.00 C ATOM 494 CD GLU A 33 2.626 1.178 -4.157 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.538 0.672 -4.846 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.232 2.363 -4.217 1.00 0.00 O ATOM 0 H GLU A 33 3.570 -2.458 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 33 2.469 0.283 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.905 -0.008 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.107 -1.503 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.266 -0.425 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.300 0.860 -2.486 1.00 0.00 H new ATOM 503 N VAL A 34 0.107 -0.366 -0.537 1.00 0.00 N ATOM 504 CA VAL A 34 -1.292 -0.751 -0.460 1.00 0.00 C ATOM 505 C VAL A 34 -1.900 -0.732 -1.864 1.00 0.00 C ATOM 506 O VAL A 34 -1.751 0.246 -2.596 1.00 0.00 O ATOM 507 CB VAL A 34 -2.032 0.158 0.523 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.980 1.618 0.066 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.477 -0.304 0.717 1.00 0.00 C ATOM 0 H VAL A 34 0.290 0.618 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.387 -1.767 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.527 0.090 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.513 2.243 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.941 1.943 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.448 1.709 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.980 0.360 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.998 -0.280 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.484 -1.321 1.109 1.00 0.00 H new ATOM 519 N LEU A 35 -2.572 -1.824 -2.199 1.00 0.00 N ATOM 520 CA LEU A 35 -3.203 -1.945 -3.502 1.00 0.00 C ATOM 521 C LEU A 35 -4.688 -1.601 -3.379 1.00 0.00 C ATOM 522 O LEU A 35 -5.201 -0.770 -4.127 1.00 0.00 O ATOM 523 CB LEU A 35 -2.939 -3.329 -4.098 1.00 0.00 C ATOM 524 CG LEU A 35 -1.491 -3.625 -4.493 1.00 0.00 C ATOM 525 CD1 LEU A 35 -0.604 -3.769 -3.255 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.410 -4.853 -5.401 1.00 0.00 C ATOM 0 H LEU A 35 -2.693 -2.633 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.768 -1.233 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.258 -4.080 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.567 -3.448 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.113 -2.777 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.420 -3.979 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.627 -2.843 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.972 -4.588 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.370 -5.041 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.813 -5.720 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.989 -4.675 -6.307 1.00 0.00 H new ATOM 538 N GLU A 36 -5.338 -2.257 -2.429 1.00 0.00 N ATOM 539 CA GLU A 36 -6.755 -2.031 -2.198 1.00 0.00 C ATOM 540 C GLU A 36 -7.012 -1.738 -0.719 1.00 0.00 C ATOM 541 O GLU A 36 -6.466 -2.410 0.155 1.00 0.00 O ATOM 542 CB GLU A 36 -7.585 -3.226 -2.672 1.00 0.00 C ATOM 543 CG GLU A 36 -8.220 -2.946 -4.036 1.00 0.00 C ATOM 544 CD GLU A 36 -9.020 -1.642 -4.011 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.625 -1.367 -2.952 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.009 -0.949 -5.051 1.00 0.00 O ATOM 0 H GLU A 36 -4.910 -2.945 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.064 -1.162 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.952 -4.111 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.364 -3.445 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.442 -2.885 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.874 -3.773 -4.313 1.00 0.00 H new ATOM 553 N ASP A 37 -7.843 -0.733 -0.483 1.00 0.00 N ATOM 554 CA ASP A 37 -8.178 -0.342 0.875 1.00 0.00 C ATOM 555 C ASP A 37 -9.695 -0.182 0.995 1.00 0.00 C ATOM 556 O ASP A 37 -10.414 -0.281 0.002 1.00 0.00 O ATOM 557 CB ASP A 37 -7.531 0.995 1.240 1.00 0.00 C ATOM 558 CG ASP A 37 -8.306 2.234 0.785 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.170 2.581 -0.408 1.00 0.00 O ATOM 560 OD2 ASP A 37 -9.016 2.805 1.640 1.00 0.00 O ATOM 0 H ASP A 37 -8.294 -0.178 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.810 -1.116 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.408 1.039 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.532 1.029 0.804 1.00 0.00 H new ATOM 565 N GLY A 38 -10.137 0.064 2.220 1.00 0.00 N ATOM 566 CA GLY A 38 -11.555 0.239 2.483 1.00 0.00 C ATOM 567 C GLY A 38 -12.169 -1.040 3.054 1.00 0.00 C ATOM 568 O GLY A 38 -13.347 -1.064 3.408 1.00 0.00 O ATOM 0 H GLY A 38 -9.538 0.146 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.700 1.061 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.068 0.513 1.561 1.00 0.00 H new ATOM 572 N ARG A 39 -11.344 -2.074 3.127 1.00 0.00 N ATOM 573 CA ARG A 39 -11.790 -3.354 3.649 1.00 0.00 C ATOM 574 C ARG A 39 -10.930 -3.769 4.844 1.00 0.00 C ATOM 575 O ARG A 39 -9.835 -3.243 5.038 1.00 0.00 O ATOM 576 CB ARG A 39 -11.720 -4.442 2.576 1.00 0.00 C ATOM 577 CG ARG A 39 -12.925 -4.365 1.636 1.00 0.00 C ATOM 578 CD ARG A 39 -13.663 -5.704 1.580 1.00 0.00 C ATOM 579 NE ARG A 39 -14.163 -6.064 2.925 1.00 0.00 N ATOM 580 CZ ARG A 39 -14.698 -7.253 3.234 1.00 0.00 C ATOM 581 NH1 ARG A 39 -14.806 -8.203 2.296 1.00 0.00 N ATOM 582 NH2 ARG A 39 -15.126 -7.491 4.482 1.00 0.00 N ATOM 0 H ARG A 39 -10.368 -2.051 2.833 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.827 -3.239 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.800 -4.333 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.686 -5.423 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.606 -3.584 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.593 -4.086 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.495 -5.641 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.994 -6.482 1.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.096 -5.363 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.481 -8.021 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.213 -9.108 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.044 -6.767 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.533 -8.396 4.718 1.00 0.00 H new ATOM 596 N GLN A 40 -11.457 -4.710 5.614 1.00 0.00 N ATOM 597 CA GLN A 40 -10.751 -5.202 6.785 1.00 0.00 C ATOM 598 C GLN A 40 -9.283 -5.469 6.445 1.00 0.00 C ATOM 599 O GLN A 40 -8.399 -4.724 6.866 1.00 0.00 O ATOM 600 CB GLN A 40 -11.422 -6.458 7.342 1.00 0.00 C ATOM 601 CG GLN A 40 -12.614 -6.095 8.230 1.00 0.00 C ATOM 602 CD GLN A 40 -13.936 -6.327 7.496 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.411 -5.495 6.740 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.502 -7.502 7.759 1.00 0.00 N ATOM 0 H GLN A 40 -12.365 -5.145 5.450 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.791 -4.436 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.756 -7.091 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.699 -7.037 7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.589 -6.694 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.541 -5.051 8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.051 -8.153 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.387 -7.752 7.318 1.00 0.00 H new ATOM 613 N TRP A 41 -9.068 -6.535 5.688 1.00 0.00 N ATOM 614 CA TRP A 41 -7.723 -6.910 5.287 1.00 0.00 C ATOM 615 C TRP A 41 -7.360 -6.106 4.037 1.00 0.00 C ATOM 616 O TRP A 41 -8.116 -6.086 3.067 1.00 0.00 O ATOM 617 CB TRP A 41 -7.615 -8.421 5.078 1.00 0.00 C ATOM 618 CG TRP A 41 -7.945 -9.247 6.323 1.00 0.00 C ATOM 619 CD1 TRP A 41 -9.056 -9.204 7.071 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.106 -10.248 6.938 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.995 -10.100 8.119 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.772 -10.755 8.036 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.828 -10.710 6.579 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -7.238 -11.750 8.864 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.308 -11.704 7.416 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.965 -12.225 8.525 1.00 0.00 C ATOM 0 H TRP A 41 -9.803 -7.151 5.342 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.006 -6.673 6.073 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.287 -8.715 4.271 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.603 -8.661 4.753 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.894 -8.550 6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.715 -10.253 8.825 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.289 -10.328 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.779 -12.131 9.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.328 -12.094 7.184 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.496 -12.993 9.122 1.00 0.00 H new ATOM 637 N TRP A 42 -6.204 -5.461 4.102 1.00 0.00 N ATOM 638 CA TRP A 42 -5.733 -4.658 2.987 1.00 0.00 C ATOM 639 C TRP A 42 -4.968 -5.576 2.032 1.00 0.00 C ATOM 640 O TRP A 42 -4.574 -6.679 2.408 1.00 0.00 O ATOM 641 CB TRP A 42 -4.894 -3.476 3.479 1.00 0.00 C ATOM 642 CG TRP A 42 -5.702 -2.402 4.211 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.015 -2.396 4.478 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.193 -1.169 4.761 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.388 -1.255 5.158 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.245 -0.484 5.335 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.887 -0.649 4.773 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.099 0.758 5.964 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.758 0.594 5.405 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.806 1.296 5.988 1.00 0.00 C ATOM 0 H TRP A 42 -5.580 -5.478 4.909 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.572 -4.217 2.449 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.116 -3.848 4.145 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.392 -3.020 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.696 -3.185 4.196 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.329 -1.020 5.473 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.049 -1.167 4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.938 1.274 6.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.774 1.038 5.442 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.624 2.252 6.457 1.00 0.00 H new ATOM 661 N LYS A 43 -4.780 -5.088 0.815 1.00 0.00 N ATOM 662 CA LYS A 43 -4.069 -5.851 -0.197 1.00 0.00 C ATOM 663 C LYS A 43 -2.765 -5.133 -0.549 1.00 0.00 C ATOM 664 O LYS A 43 -2.780 -4.118 -1.244 1.00 0.00 O ATOM 665 CB LYS A 43 -4.973 -6.113 -1.403 1.00 0.00 C ATOM 666 CG LYS A 43 -4.401 -7.224 -2.286 1.00 0.00 C ATOM 667 CD LYS A 43 -5.251 -7.419 -3.543 1.00 0.00 C ATOM 668 CE LYS A 43 -4.564 -8.365 -4.529 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.547 -8.921 -5.485 1.00 0.00 N ATOM 0 H LYS A 43 -5.108 -4.173 0.506 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.797 -6.834 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.970 -6.392 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.081 -5.199 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.378 -6.977 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.360 -8.156 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.226 -7.821 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.426 -6.455 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.783 -7.831 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.078 -9.175 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.064 -9.561 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.277 -9.448 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.992 -8.145 -6.016 1.00 0.00 H new ATOM 683 N LEU A 44 -1.669 -5.688 -0.053 1.00 0.00 N ATOM 684 CA LEU A 44 -0.359 -5.113 -0.307 1.00 0.00 C ATOM 685 C LEU A 44 0.394 -5.992 -1.308 1.00 0.00 C ATOM 686 O LEU A 44 -0.017 -7.118 -1.582 1.00 0.00 O ATOM 687 CB LEU A 44 0.394 -4.893 1.007 1.00 0.00 C ATOM 688 CG LEU A 44 -0.455 -4.448 2.199 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.202 -3.150 1.886 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.404 -5.562 2.644 1.00 0.00 C ATOM 0 H LEU A 44 -1.661 -6.530 0.523 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.458 -4.126 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.900 -5.821 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.169 -4.145 0.838 1.00 0.00 H new ATOM 0 HG LEU A 44 0.213 -4.242 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.798 -2.856 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.484 -2.363 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.857 -3.305 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.995 -5.219 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.069 -5.824 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.825 -6.438 2.936 1.00 0.00 H new ATOM 702 N ARG A 45 1.483 -5.443 -1.826 1.00 0.00 N ATOM 703 CA ARG A 45 2.297 -6.164 -2.790 1.00 0.00 C ATOM 704 C ARG A 45 3.783 -5.978 -2.475 1.00 0.00 C ATOM 705 O ARG A 45 4.255 -4.851 -2.334 1.00 0.00 O ATOM 706 CB ARG A 45 2.021 -5.679 -4.215 1.00 0.00 C ATOM 707 CG ARG A 45 2.826 -6.488 -5.235 1.00 0.00 C ATOM 708 CD ARG A 45 2.757 -5.846 -6.622 1.00 0.00 C ATOM 709 NE ARG A 45 1.577 -6.354 -7.357 1.00 0.00 N ATOM 710 CZ ARG A 45 1.262 -5.998 -8.610 1.00 0.00 C ATOM 711 NH1 ARG A 45 2.037 -5.130 -9.275 1.00 0.00 N ATOM 712 NH2 ARG A 45 0.172 -6.509 -9.198 1.00 0.00 N ATOM 0 H ARG A 45 1.820 -4.508 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 45 2.037 -7.220 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.957 -5.768 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.277 -4.623 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.865 -6.555 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.441 -7.507 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.698 -4.762 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.667 -6.068 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 45 0.965 -7.016 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.867 -4.740 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.797 -4.859 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.418 -7.169 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.068 -6.238 -10.152 1.00 0.00 H new ATOM 726 N SER A 46 4.478 -7.101 -2.373 1.00 0.00 N ATOM 727 CA SER A 46 5.901 -7.077 -2.076 1.00 0.00 C ATOM 728 C SER A 46 6.690 -6.696 -3.330 1.00 0.00 C ATOM 729 O SER A 46 6.148 -6.703 -4.435 1.00 0.00 O ATOM 730 CB SER A 46 6.375 -8.429 -1.540 1.00 0.00 C ATOM 731 OG SER A 46 6.552 -9.384 -2.582 1.00 0.00 O ATOM 0 H SER A 46 4.083 -8.034 -2.491 1.00 0.00 H new ATOM 0 HA SER A 46 6.077 -6.329 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.316 -8.297 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.650 -8.808 -0.820 1.00 0.00 H new ATOM 0 HG SER A 46 6.857 -10.233 -2.199 1.00 0.00 H new ATOM 737 N ARG A 47 7.957 -6.374 -3.118 1.00 0.00 N ATOM 738 CA ARG A 47 8.827 -5.992 -4.218 1.00 0.00 C ATOM 739 C ARG A 47 9.097 -7.195 -5.124 1.00 0.00 C ATOM 740 O ARG A 47 9.634 -7.043 -6.220 1.00 0.00 O ATOM 741 CB ARG A 47 10.158 -5.442 -3.702 1.00 0.00 C ATOM 742 CG ARG A 47 10.957 -6.528 -2.978 1.00 0.00 C ATOM 743 CD ARG A 47 11.170 -6.163 -1.507 1.00 0.00 C ATOM 744 NE ARG A 47 12.478 -6.677 -1.043 1.00 0.00 N ATOM 745 CZ ARG A 47 12.864 -6.700 0.240 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.044 -6.239 1.194 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.069 -7.185 0.568 1.00 0.00 N ATOM 0 H ARG A 47 8.403 -6.370 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 47 8.320 -5.212 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.742 -5.051 -4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.973 -4.609 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.430 -7.480 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.922 -6.661 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.130 -5.081 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.368 -6.583 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 47 13.126 -7.036 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.126 -5.871 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.337 -6.256 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.692 -7.537 -0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.363 -7.203 1.545 1.00 0.00 H new ATOM 761 N SER A 48 8.711 -8.363 -4.633 1.00 0.00 N ATOM 762 CA SER A 48 8.905 -9.592 -5.384 1.00 0.00 C ATOM 763 C SER A 48 7.750 -9.791 -6.368 1.00 0.00 C ATOM 764 O SER A 48 7.640 -10.842 -6.996 1.00 0.00 O ATOM 765 CB SER A 48 9.020 -10.797 -4.449 1.00 0.00 C ATOM 766 OG SER A 48 9.373 -11.986 -5.152 1.00 0.00 O ATOM 0 H SER A 48 8.265 -8.485 -3.724 1.00 0.00 H new ATOM 0 HA SER A 48 9.838 -9.509 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.769 -10.592 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.071 -10.948 -3.934 1.00 0.00 H new ATOM 0 HG SER A 48 8.958 -11.976 -6.040 1.00 0.00 H new ATOM 772 N GLY A 49 6.919 -8.764 -6.470 1.00 0.00 N ATOM 773 CA GLY A 49 5.776 -8.814 -7.367 1.00 0.00 C ATOM 774 C GLY A 49 4.657 -9.677 -6.782 1.00 0.00 C ATOM 775 O GLY A 49 3.705 -10.023 -7.480 1.00 0.00 O ATOM 0 H GLY A 49 7.014 -7.893 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.406 -7.805 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.084 -9.217 -8.332 1.00 0.00 H new ATOM 779 N GLN A 50 4.808 -10.002 -5.506 1.00 0.00 N ATOM 780 CA GLN A 50 3.823 -10.819 -4.819 1.00 0.00 C ATOM 781 C GLN A 50 2.763 -9.932 -4.162 1.00 0.00 C ATOM 782 O GLN A 50 3.076 -8.853 -3.659 1.00 0.00 O ATOM 783 CB GLN A 50 4.489 -11.732 -3.789 1.00 0.00 C ATOM 784 CG GLN A 50 5.596 -12.569 -4.433 1.00 0.00 C ATOM 785 CD GLN A 50 5.053 -13.382 -5.610 1.00 0.00 C ATOM 786 OE1 GLN A 50 4.342 -14.360 -5.448 1.00 0.00 O ATOM 787 NE2 GLN A 50 5.427 -12.924 -6.801 1.00 0.00 N ATOM 0 H GLN A 50 5.599 -9.714 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 50 3.331 -11.455 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.906 -11.131 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.742 -12.390 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.398 -11.916 -4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.028 -13.240 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.024 -12.099 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.117 -13.397 -7.650 1.00 0.00 H new ATOM 796 N ALA A 51 1.531 -10.418 -4.188 1.00 0.00 N ATOM 797 CA ALA A 51 0.424 -9.683 -3.600 1.00 0.00 C ATOM 798 C ALA A 51 -0.409 -10.630 -2.734 1.00 0.00 C ATOM 799 O ALA A 51 -0.826 -11.693 -3.194 1.00 0.00 O ATOM 800 CB ALA A 51 -0.402 -9.031 -4.711 1.00 0.00 C ATOM 0 H ALA A 51 1.275 -11.312 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 51 0.792 -8.885 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.233 -8.479 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.228 -8.346 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.791 -9.802 -5.376 1.00 0.00 H new ATOM 806 N GLY A 52 -0.627 -10.211 -1.496 1.00 0.00 N ATOM 807 CA GLY A 52 -1.403 -11.008 -0.562 1.00 0.00 C ATOM 808 C GLY A 52 -2.127 -10.118 0.450 1.00 0.00 C ATOM 809 O GLY A 52 -1.724 -8.978 0.679 1.00 0.00 O ATOM 0 H GLY A 52 -0.279 -9.330 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.130 -11.609 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.746 -11.701 -0.037 1.00 0.00 H new ATOM 813 N TYR A 53 -3.183 -10.671 1.028 1.00 0.00 N ATOM 814 CA TYR A 53 -3.966 -9.941 2.010 1.00 0.00 C ATOM 815 C TYR A 53 -3.399 -10.134 3.418 1.00 0.00 C ATOM 816 O TYR A 53 -2.765 -11.149 3.702 1.00 0.00 O ATOM 817 CB TYR A 53 -5.374 -10.538 1.954 1.00 0.00 C ATOM 818 CG TYR A 53 -6.191 -10.093 0.739 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.598 -8.779 0.625 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.520 -11.005 -0.242 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.367 -8.361 -0.518 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.289 -10.587 -1.385 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.674 -9.285 -1.467 1.00 0.00 C ATOM 824 OH TYR A 53 -8.400 -8.890 -2.547 1.00 0.00 O ATOM 0 H TYR A 53 -3.515 -11.616 0.835 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.955 -8.873 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.297 -11.625 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.911 -10.261 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.340 -8.065 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.201 -12.033 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.693 -7.336 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.554 -11.291 -2.160 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.543 -9.655 -3.143 1.00 0.00 H new ATOM 834 N VAL A 54 -3.647 -9.143 4.262 1.00 0.00 N ATOM 835 CA VAL A 54 -3.169 -9.191 5.633 1.00 0.00 C ATOM 836 C VAL A 54 -4.086 -8.346 6.519 1.00 0.00 C ATOM 837 O VAL A 54 -4.877 -7.548 6.017 1.00 0.00 O ATOM 838 CB VAL A 54 -1.706 -8.748 5.693 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.769 -9.957 5.747 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.360 -7.838 4.513 1.00 0.00 C ATOM 0 H VAL A 54 -4.173 -8.302 4.023 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.201 -10.212 6.013 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.567 -8.175 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.265 -9.614 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.991 -10.550 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.913 -10.569 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.314 -7.537 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.524 -8.375 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.994 -6.952 4.538 1.00 0.00 H new ATOM 850 N PRO A 55 -3.947 -8.554 7.855 1.00 0.00 N ATOM 851 CA PRO A 55 -4.754 -7.820 8.816 1.00 0.00 C ATOM 852 C PRO A 55 -4.264 -6.377 8.954 1.00 0.00 C ATOM 853 O PRO A 55 -3.064 -6.116 8.887 1.00 0.00 O ATOM 854 CB PRO A 55 -4.644 -8.612 10.109 1.00 0.00 C ATOM 855 CG PRO A 55 -3.416 -9.494 9.954 1.00 0.00 C ATOM 856 CD PRO A 55 -3.021 -9.490 8.486 1.00 0.00 C ATOM 0 HA PRO A 55 -5.796 -7.729 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.542 -7.947 10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.538 -9.213 10.276 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.598 -9.121 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.630 -10.509 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.987 -9.172 8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.106 -10.486 8.050 1.00 0.00 H new ATOM 864 N CYS A 56 -5.218 -5.478 9.146 1.00 0.00 N ATOM 865 CA CYS A 56 -4.898 -4.068 9.294 1.00 0.00 C ATOM 866 C CYS A 56 -4.523 -3.812 10.755 1.00 0.00 C ATOM 867 O CYS A 56 -4.225 -2.681 11.134 1.00 0.00 O ATOM 868 CB CYS A 56 -6.053 -3.175 8.837 1.00 0.00 C ATOM 869 SG CYS A 56 -7.499 -3.411 9.933 1.00 0.00 S ATOM 0 H CYS A 56 -6.212 -5.698 9.203 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.054 -3.815 8.653 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.743 -2.130 8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.323 -3.414 7.808 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.473 -2.646 9.537 1.00 0.00 H new ATOM 875 N ASN A 57 -4.550 -4.883 11.536 1.00 0.00 N ATOM 876 CA ASN A 57 -4.216 -4.788 12.947 1.00 0.00 C ATOM 877 C ASN A 57 -2.703 -4.619 13.099 1.00 0.00 C ATOM 878 O ASN A 57 -2.228 -4.141 14.128 1.00 0.00 O ATOM 879 CB ASN A 57 -4.628 -6.057 13.697 1.00 0.00 C ATOM 880 CG ASN A 57 -5.662 -5.743 14.779 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.833 -6.066 14.667 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.166 -5.098 15.831 1.00 0.00 N ATOM 0 H ASN A 57 -4.798 -5.820 11.218 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.750 -3.934 13.363 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.040 -6.781 12.994 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.750 -6.517 14.151 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.776 -4.844 16.608 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.175 -4.857 15.861 1.00 0.00 H new ATOM 889 N ILE A 58 -1.988 -5.020 12.058 1.00 0.00 N ATOM 890 CA ILE A 58 -0.538 -4.919 12.063 1.00 0.00 C ATOM 891 C ILE A 58 -0.110 -3.753 11.170 1.00 0.00 C ATOM 892 O ILE A 58 1.010 -3.257 11.285 1.00 0.00 O ATOM 893 CB ILE A 58 0.093 -6.257 11.673 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.301 -6.656 10.249 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.255 -7.345 12.691 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.338 -7.989 9.857 1.00 0.00 C ATOM 0 H ILE A 58 -2.385 -5.415 11.206 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.174 -4.702 13.067 1.00 0.00 H new ATOM 0 HB ILE A 58 1.177 -6.140 11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.386 -6.733 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.011 -5.880 9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.206 -8.286 12.390 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.118 -7.056 13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.337 -7.469 12.735 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.042 -8.249 8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.423 -7.901 9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.005 -8.768 10.543 1.00 0.00 H new ATOM 908 N LEU A 59 -1.024 -3.350 10.299 1.00 0.00 N ATOM 909 CA LEU A 59 -0.754 -2.252 9.386 1.00 0.00 C ATOM 910 C LEU A 59 -0.792 -0.931 10.159 1.00 0.00 C ATOM 911 O LEU A 59 -1.468 -0.825 11.181 1.00 0.00 O ATOM 912 CB LEU A 59 -1.715 -2.296 8.197 1.00 0.00 C ATOM 913 CG LEU A 59 -1.665 -3.562 7.340 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.720 -3.518 6.233 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.259 -3.792 6.783 1.00 0.00 C ATOM 0 H LEU A 59 -1.952 -3.764 10.206 1.00 0.00 H new ATOM 0 HA LEU A 59 0.246 -2.346 8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.731 -2.175 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.508 -1.439 7.556 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.903 -4.414 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.662 -4.430 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.712 -3.437 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.539 -2.655 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.251 -4.698 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.032 -2.941 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.446 -3.900 7.607 1.00 0.00 H new ATOM 927 N GLY A 60 -0.057 0.042 9.640 1.00 0.00 N ATOM 928 CA GLY A 60 0.002 1.351 10.269 1.00 0.00 C ATOM 929 C GLY A 60 -0.060 2.465 9.222 1.00 0.00 C ATOM 930 O GLY A 60 -0.743 2.331 8.208 1.00 0.00 O ATOM 0 H GLY A 60 0.502 -0.050 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.826 1.459 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.922 1.440 10.846 1.00 0.00 H new ATOM 934 N GLU A 61 0.664 3.538 9.504 1.00 0.00 N ATOM 935 CA GLU A 61 0.700 4.675 8.599 1.00 0.00 C ATOM 936 C GLU A 61 2.132 4.929 8.123 1.00 0.00 C ATOM 937 O GLU A 61 3.082 4.773 8.889 1.00 0.00 O ATOM 938 CB GLU A 61 0.113 5.922 9.262 1.00 0.00 C ATOM 939 CG GLU A 61 0.516 7.188 8.502 1.00 0.00 C ATOM 940 CD GLU A 61 -0.113 8.431 9.135 1.00 0.00 C ATOM 941 OE1 GLU A 61 0.252 8.724 10.294 1.00 0.00 O ATOM 942 OE2 GLU A 61 -0.944 9.060 8.445 1.00 0.00 O ATOM 0 H GLU A 61 1.230 3.644 10.346 1.00 0.00 H new ATOM 0 HA GLU A 61 0.085 4.443 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.974 5.844 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.459 5.987 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.602 7.286 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.202 7.107 7.461 1.00 0.00 H new ATOM 949 N ALA A 62 2.242 5.315 6.860 1.00 0.00 N ATOM 950 CA ALA A 62 3.542 5.592 6.273 1.00 0.00 C ATOM 951 C ALA A 62 3.567 7.032 5.756 1.00 0.00 C ATOM 952 O ALA A 62 2.534 7.573 5.366 1.00 0.00 O ATOM 953 CB ALA A 62 3.833 4.571 5.171 1.00 0.00 C ATOM 0 H ALA A 62 1.452 5.442 6.227 1.00 0.00 H new ATOM 0 HA ALA A 62 4.329 5.497 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.808 4.779 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.833 3.567 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.065 4.639 4.400 1.00 0.00 H new ATOM 959 N SER A 63 4.759 7.611 5.769 1.00 0.00 N ATOM 960 CA SER A 63 4.932 8.977 5.306 1.00 0.00 C ATOM 961 C SER A 63 6.386 9.209 4.892 1.00 0.00 C ATOM 962 O SER A 63 7.308 8.855 5.625 1.00 0.00 O ATOM 963 CB SER A 63 4.520 9.981 6.385 1.00 0.00 C ATOM 964 OG SER A 63 3.311 10.657 6.052 1.00 0.00 O ATOM 0 H SER A 63 5.614 7.159 6.093 1.00 0.00 H new ATOM 0 HA SER A 63 4.286 9.129 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.395 9.461 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.317 10.711 6.524 1.00 0.00 H new ATOM 0 HG SER A 63 3.081 11.287 6.766 1.00 0.00 H new ATOM 970 N GLY A 64 6.547 9.803 3.719 1.00 0.00 N ATOM 971 CA GLY A 64 7.873 10.087 3.199 1.00 0.00 C ATOM 972 C GLY A 64 8.280 11.533 3.492 1.00 0.00 C ATOM 973 O GLY A 64 7.425 12.389 3.713 1.00 0.00 O ATOM 0 H GLY A 64 5.780 10.096 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.596 9.405 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.891 9.911 2.123 1.00 0.00 H new ATOM 977 N PRO A 65 9.620 11.766 3.484 1.00 0.00 N ATOM 978 CA PRO A 65 10.150 13.093 3.747 1.00 0.00 C ATOM 979 C PRO A 65 9.948 14.012 2.541 1.00 0.00 C ATOM 980 O PRO A 65 10.915 14.518 1.972 1.00 0.00 O ATOM 981 CB PRO A 65 11.615 12.871 4.086 1.00 0.00 C ATOM 982 CG PRO A 65 11.963 11.492 3.550 1.00 0.00 C ATOM 983 CD PRO A 65 10.662 10.776 3.226 1.00 0.00 C ATOM 0 HA PRO A 65 9.637 13.597 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.242 13.637 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.779 12.924 5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.585 11.575 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.535 10.929 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.642 10.441 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.531 9.891 3.849 1.00 0.00 H new ATOM 991 N SER A 66 8.685 14.202 2.186 1.00 0.00 N ATOM 992 CA SER A 66 8.344 15.051 1.058 1.00 0.00 C ATOM 993 C SER A 66 8.295 16.515 1.501 1.00 0.00 C ATOM 994 O SER A 66 7.411 16.908 2.261 1.00 0.00 O ATOM 995 CB SER A 66 7.006 14.638 0.442 1.00 0.00 C ATOM 996 OG SER A 66 7.156 13.578 -0.498 1.00 0.00 O ATOM 0 H SER A 66 7.886 13.782 2.660 1.00 0.00 H new ATOM 0 HA SER A 66 9.115 14.934 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.323 14.327 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.553 15.498 -0.051 1.00 0.00 H new ATOM 0 HG SER A 66 6.280 13.342 -0.868 1.00 0.00 H new ATOM 1002 N SER A 67 9.256 17.282 1.008 1.00 0.00 N ATOM 1003 CA SER A 67 9.333 18.694 1.344 1.00 0.00 C ATOM 1004 C SER A 67 8.300 19.481 0.536 1.00 0.00 C ATOM 1005 O SER A 67 8.446 19.644 -0.675 1.00 0.00 O ATOM 1006 CB SER A 67 10.737 19.245 1.090 1.00 0.00 C ATOM 1007 OG SER A 67 10.893 20.566 1.599 1.00 0.00 O ATOM 0 H SER A 67 9.988 16.953 0.379 1.00 0.00 H new ATOM 0 HA SER A 67 9.115 18.805 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.473 18.589 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.939 19.243 0.019 1.00 0.00 H new ATOM 0 HG SER A 67 11.803 20.881 1.418 1.00 0.00 H new ATOM 1013 N GLY A 68 7.278 19.949 1.238 1.00 0.00 N ATOM 1014 CA GLY A 68 6.220 20.716 0.601 1.00 0.00 C ATOM 1015 C GLY A 68 5.748 21.855 1.505 1.00 0.00 C ATOM 1016 O GLY A 68 6.300 22.953 1.467 1.00 0.00 O ATOM 0 H GLY A 68 7.160 19.812 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.579 21.122 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.381 20.061 0.368 1.00 0.00 H new TER 1020 GLY A 68