USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 34 THR OG1 : rot 96:sc= 1.06 USER MOD Set 1.2: A 35 ASN : amide:sc= -0.396! C(o=0.66!,f=-5.9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.441) USER MOD Single : A 12 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00932 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.334 (180deg=-0.445) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.79 K(o=-0.79,f=-5.6!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.775! USER MOD Single : A 52 GLN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 53 SER OG : rot -12:sc= 0.548 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.3!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0532 F(o=-0.73,f=-0.053) USER MOD Single : A 67 SER OG : rot 180:sc= -0.019 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.392 -12.630 1.113 1.00 0.00 N ATOM 20 CA ALA A 3 -1.786 -13.225 -0.153 1.00 0.00 C ATOM 21 C ALA A 3 -0.626 -13.115 -1.144 1.00 0.00 C ATOM 22 O ALA A 3 -0.684 -13.675 -2.238 1.00 0.00 O ATOM 23 CB ALA A 3 -3.055 -12.542 -0.664 1.00 0.00 C ATOM 0 HA ALA A 3 -2.014 -14.283 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.351 -12.988 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.856 -12.672 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.864 -11.478 -0.807 1.00 0.00 H new ATOM 29 N GLY A 4 0.402 -12.390 -0.726 1.00 0.00 N ATOM 30 CA GLY A 4 1.574 -12.201 -1.565 1.00 0.00 C ATOM 31 C GLY A 4 2.200 -10.825 -1.329 1.00 0.00 C ATOM 32 O GLY A 4 1.895 -10.161 -0.339 1.00 0.00 O ATOM 0 H GLY A 4 0.448 -11.927 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.307 -12.979 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.295 -12.303 -2.614 1.00 0.00 H new ATOM 36 N LYS A 5 3.063 -10.436 -2.257 1.00 0.00 N ATOM 37 CA LYS A 5 3.733 -9.150 -2.163 1.00 0.00 C ATOM 38 C LYS A 5 3.012 -8.137 -3.054 1.00 0.00 C ATOM 39 O LYS A 5 2.576 -8.473 -4.154 1.00 0.00 O ATOM 40 CB LYS A 5 5.223 -9.298 -2.480 1.00 0.00 C ATOM 41 CG LYS A 5 5.889 -10.294 -1.529 1.00 0.00 C ATOM 42 CD LYS A 5 7.365 -9.948 -1.319 1.00 0.00 C ATOM 43 CE LYS A 5 8.261 -11.145 -1.643 1.00 0.00 C ATOM 44 NZ LYS A 5 9.682 -10.733 -1.683 1.00 0.00 N ATOM 0 H LYS A 5 3.313 -10.989 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 5 3.684 -8.769 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.348 -9.633 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.714 -8.328 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.371 -10.289 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.802 -11.302 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.638 -9.103 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.526 -9.638 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.123 -11.924 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.973 -11.573 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.276 -11.557 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.812 -10.006 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.957 -10.346 -0.758 1.00 0.00 H new ATOM 58 N PHE A 6 2.909 -6.917 -2.547 1.00 0.00 N ATOM 59 CA PHE A 6 2.250 -5.854 -3.283 1.00 0.00 C ATOM 60 C PHE A 6 3.094 -4.577 -3.279 1.00 0.00 C ATOM 61 O PHE A 6 3.891 -4.359 -2.367 1.00 0.00 O ATOM 62 CB PHE A 6 0.922 -5.575 -2.575 1.00 0.00 C ATOM 63 CG PHE A 6 -0.079 -6.728 -2.656 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.214 -7.927 -2.084 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.265 -6.555 -3.300 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.716 -8.997 -2.160 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.196 -7.626 -3.375 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.901 -8.824 -2.804 1.00 0.00 C ATOM 0 H PHE A 6 3.272 -6.642 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 6 2.103 -6.157 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.121 -5.352 -1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.470 -4.684 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.155 -8.065 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.499 -5.604 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.482 -9.949 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.138 -7.488 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.608 -9.638 -2.862 1.00 0.00 H new ATOM 78 N ILE A 7 2.890 -3.768 -4.307 1.00 0.00 N ATOM 79 CA ILE A 7 3.622 -2.519 -4.433 1.00 0.00 C ATOM 80 C ILE A 7 2.682 -1.431 -4.953 1.00 0.00 C ATOM 81 O ILE A 7 2.359 -1.399 -6.140 1.00 0.00 O ATOM 82 CB ILE A 7 4.872 -2.715 -5.295 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.504 -3.250 -6.680 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.891 -3.609 -4.588 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.756 -3.615 -7.478 1.00 0.00 C ATOM 0 H ILE A 7 2.228 -3.953 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 7 3.983 -2.190 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 7 5.343 -1.743 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.866 -4.128 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.929 -2.500 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.769 -3.732 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.186 -3.149 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.445 -4.584 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.465 -3.993 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.380 -2.730 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.316 -4.383 -6.945 1.00 0.00 H new ATOM 97 N VAL A 8 2.266 -0.566 -4.039 1.00 0.00 N ATOM 98 CA VAL A 8 1.369 0.521 -4.391 1.00 0.00 C ATOM 99 C VAL A 8 2.039 1.857 -4.062 1.00 0.00 C ATOM 100 O VAL A 8 3.020 1.898 -3.321 1.00 0.00 O ATOM 101 CB VAL A 8 0.024 0.337 -3.685 1.00 0.00 C ATOM 102 CG1 VAL A 8 0.199 -0.395 -2.354 1.00 0.00 C ATOM 103 CG2 VAL A 8 -0.678 1.683 -3.482 1.00 0.00 C ATOM 0 H VAL A 8 2.534 -0.596 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 8 1.164 0.516 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.608 -0.278 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.772 -0.513 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.636 -1.377 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.858 0.182 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.631 1.524 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.050 2.333 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.853 2.152 -4.450 1.00 0.00 H new ATOM 113 N ILE A 9 1.481 2.917 -4.629 1.00 0.00 N ATOM 114 CA ILE A 9 2.013 4.251 -4.405 1.00 0.00 C ATOM 115 C ILE A 9 0.864 5.203 -4.068 1.00 0.00 C ATOM 116 O ILE A 9 -0.304 4.822 -4.140 1.00 0.00 O ATOM 117 CB ILE A 9 2.853 4.700 -5.602 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.149 3.526 -6.537 1.00 0.00 C ATOM 119 CG2 ILE A 9 4.132 5.402 -5.142 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.087 2.517 -5.871 1.00 0.00 C ATOM 0 H ILE A 9 0.667 2.879 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 9 2.690 4.253 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 9 2.273 5.426 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.217 3.033 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.601 3.895 -7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.711 5.711 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.873 6.279 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.725 4.717 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.281 1.693 -6.557 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.027 3.007 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.622 2.132 -4.964 1.00 0.00 H new ATOM 132 N PHE A 10 1.235 6.423 -3.706 1.00 0.00 N ATOM 133 CA PHE A 10 0.250 7.432 -3.358 1.00 0.00 C ATOM 134 C PHE A 10 0.390 8.666 -4.251 1.00 0.00 C ATOM 135 O PHE A 10 1.456 8.915 -4.812 1.00 0.00 O ATOM 136 CB PHE A 10 0.516 7.835 -1.907 1.00 0.00 C ATOM 137 CG PHE A 10 0.403 6.681 -0.909 1.00 0.00 C ATOM 138 CD1 PHE A 10 1.264 5.630 -0.986 1.00 0.00 C ATOM 139 CD2 PHE A 10 -0.557 6.704 0.053 1.00 0.00 C ATOM 140 CE1 PHE A 10 1.159 4.558 -0.060 1.00 0.00 C ATOM 141 CE2 PHE A 10 -0.662 5.633 0.979 1.00 0.00 C ATOM 142 CZ PHE A 10 0.198 4.582 0.902 1.00 0.00 C ATOM 0 H PHE A 10 2.204 6.735 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.755 7.032 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.515 8.265 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.188 8.617 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.027 5.611 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.241 7.538 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.842 3.724 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.424 5.653 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.118 3.766 1.605 1.00 0.00 H new ATOM 152 N LYS A 11 -0.704 9.408 -4.357 1.00 0.00 N ATOM 153 CA LYS A 11 -0.716 10.610 -5.173 1.00 0.00 C ATOM 154 C LYS A 11 0.478 11.489 -4.797 1.00 0.00 C ATOM 155 O LYS A 11 1.264 11.134 -3.919 1.00 0.00 O ATOM 156 CB LYS A 11 -2.064 11.324 -5.056 1.00 0.00 C ATOM 157 CG LYS A 11 -2.378 11.666 -3.598 1.00 0.00 C ATOM 158 CD LYS A 11 -3.818 12.162 -3.449 1.00 0.00 C ATOM 159 CE LYS A 11 -4.031 13.467 -4.219 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.476 13.745 -4.379 1.00 0.00 N ATOM 0 H LYS A 11 -1.587 9.199 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.606 10.355 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.049 12.236 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.852 10.690 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.226 10.786 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.687 12.431 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.508 11.402 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.046 12.317 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.553 14.291 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.557 13.400 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.614 14.755 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.854 13.176 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.976 13.500 -3.501 1.00 0.00 H new ATOM 174 N ASN A 12 0.579 12.620 -5.481 1.00 0.00 N ATOM 175 CA ASN A 12 1.665 13.552 -5.229 1.00 0.00 C ATOM 176 C ASN A 12 1.167 14.672 -4.312 1.00 0.00 C ATOM 177 O ASN A 12 1.554 15.828 -4.474 1.00 0.00 O ATOM 178 CB ASN A 12 2.156 14.189 -6.530 1.00 0.00 C ATOM 179 CG ASN A 12 3.683 14.256 -6.566 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.378 13.594 -5.811 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.168 15.091 -7.480 1.00 0.00 N ATOM 0 H ASN A 12 -0.073 12.912 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 12 2.483 13.000 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.794 13.612 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.742 15.193 -6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.176 15.207 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.532 15.615 -8.080 1.00 0.00 H new ATOM 188 N ASP A 13 0.317 14.289 -3.371 1.00 0.00 N ATOM 189 CA ASP A 13 -0.236 15.246 -2.428 1.00 0.00 C ATOM 190 C ASP A 13 -0.101 14.694 -1.008 1.00 0.00 C ATOM 191 O ASP A 13 0.290 15.415 -0.092 1.00 0.00 O ATOM 192 CB ASP A 13 -1.721 15.492 -2.701 1.00 0.00 C ATOM 193 CG ASP A 13 -2.246 16.855 -2.245 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.514 17.517 -1.479 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.368 17.203 -2.673 1.00 0.00 O ATOM 0 H ASP A 13 -0.002 13.329 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 13 0.311 16.182 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.900 15.390 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.300 14.712 -2.206 1.00 0.00 H new ATOM 200 N VAL A 14 -0.433 13.419 -0.870 1.00 0.00 N ATOM 201 CA VAL A 14 -0.355 12.761 0.423 1.00 0.00 C ATOM 202 C VAL A 14 0.892 13.249 1.164 1.00 0.00 C ATOM 203 O VAL A 14 1.893 13.599 0.538 1.00 0.00 O ATOM 204 CB VAL A 14 -0.386 11.243 0.241 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.383 10.825 -1.013 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.159 10.530 1.481 1.00 0.00 C ATOM 0 H VAL A 14 -0.757 12.824 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.219 13.019 1.035 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.426 10.943 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.345 9.741 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.069 11.291 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.421 11.145 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.126 9.452 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.189 10.840 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.449 10.790 2.347 1.00 0.00 H new ATOM 216 N SER A 15 0.793 13.256 2.485 1.00 0.00 N ATOM 217 CA SER A 15 1.900 13.694 3.316 1.00 0.00 C ATOM 218 C SER A 15 2.776 12.498 3.697 1.00 0.00 C ATOM 219 O SER A 15 2.469 11.362 3.340 1.00 0.00 O ATOM 220 CB SER A 15 1.397 14.405 4.575 1.00 0.00 C ATOM 221 OG SER A 15 0.787 13.500 5.491 1.00 0.00 O ATOM 0 H SER A 15 -0.038 12.965 3.000 1.00 0.00 H new ATOM 0 HA SER A 15 2.496 14.404 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.230 14.909 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.679 15.175 4.294 1.00 0.00 H new ATOM 0 HG SER A 15 0.481 13.992 6.282 1.00 0.00 H new ATOM 227 N GLU A 16 3.847 12.794 4.417 1.00 0.00 N ATOM 228 CA GLU A 16 4.768 11.757 4.850 1.00 0.00 C ATOM 229 C GLU A 16 4.213 11.031 6.077 1.00 0.00 C ATOM 230 O GLU A 16 4.324 9.811 6.184 1.00 0.00 O ATOM 231 CB GLU A 16 6.153 12.340 5.139 1.00 0.00 C ATOM 232 CG GLU A 16 7.232 11.258 5.055 1.00 0.00 C ATOM 233 CD GLU A 16 7.598 10.961 3.600 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.725 10.410 2.895 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.745 11.292 3.224 1.00 0.00 O ATOM 0 H GLU A 16 4.098 13.738 4.712 1.00 0.00 H new ATOM 0 HA GLU A 16 4.875 11.034 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.373 13.134 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.162 12.791 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.120 11.582 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.877 10.347 5.538 1.00 0.00 H new ATOM 242 N ASP A 17 3.625 11.812 6.970 1.00 0.00 N ATOM 243 CA ASP A 17 3.050 11.260 8.186 1.00 0.00 C ATOM 244 C ASP A 17 2.012 10.199 7.817 1.00 0.00 C ATOM 245 O ASP A 17 2.156 9.031 8.177 1.00 0.00 O ATOM 246 CB ASP A 17 2.348 12.343 9.006 1.00 0.00 C ATOM 247 CG ASP A 17 2.892 12.535 10.423 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.033 12.082 10.659 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.155 13.131 11.238 1.00 0.00 O ATOM 0 H ASP A 17 3.534 12.824 6.877 1.00 0.00 H new ATOM 0 HA ASP A 17 3.859 10.830 8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.426 13.290 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.288 12.099 9.070 1.00 0.00 H new ATOM 254 N LYS A 18 0.988 10.642 7.101 1.00 0.00 N ATOM 255 CA LYS A 18 -0.075 9.745 6.680 1.00 0.00 C ATOM 256 C LYS A 18 0.539 8.521 5.997 1.00 0.00 C ATOM 257 O LYS A 18 0.142 7.389 6.270 1.00 0.00 O ATOM 258 CB LYS A 18 -1.091 10.489 5.812 1.00 0.00 C ATOM 259 CG LYS A 18 -2.416 10.672 6.555 1.00 0.00 C ATOM 260 CD LYS A 18 -2.946 12.098 6.388 1.00 0.00 C ATOM 261 CE LYS A 18 -2.608 12.955 7.609 1.00 0.00 C ATOM 262 NZ LYS A 18 -2.871 14.385 7.328 1.00 0.00 N ATOM 0 H LYS A 18 0.872 11.610 6.802 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.633 9.383 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.690 11.463 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.261 9.935 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.150 9.961 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.277 10.454 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.515 12.547 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.026 12.074 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.202 12.631 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.561 12.818 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.636 14.953 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.286 14.695 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.876 14.514 7.093 1.00 0.00 H new ATOM 276 N ILE A 19 1.495 8.790 5.120 1.00 0.00 N ATOM 277 CA ILE A 19 2.167 7.724 4.396 1.00 0.00 C ATOM 278 C ILE A 19 2.687 6.685 5.390 1.00 0.00 C ATOM 279 O ILE A 19 2.317 5.514 5.321 1.00 0.00 O ATOM 280 CB ILE A 19 3.252 8.299 3.483 1.00 0.00 C ATOM 281 CG1 ILE A 19 2.896 8.092 2.009 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.624 7.716 3.828 1.00 0.00 C ATOM 283 CD1 ILE A 19 3.980 8.667 1.096 1.00 0.00 C ATOM 0 H ILE A 19 1.820 9.730 4.894 1.00 0.00 H new ATOM 0 HA ILE A 19 1.466 7.211 3.737 1.00 0.00 H new ATOM 0 HB ILE A 19 3.306 9.374 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.773 7.028 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.941 8.570 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.377 8.141 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.873 7.958 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.601 6.633 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.701 8.506 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.084 9.736 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.928 8.169 1.299 1.00 0.00 H new ATOM 295 N ARG A 20 3.538 7.151 6.293 1.00 0.00 N ATOM 296 CA ARG A 20 4.112 6.277 7.301 1.00 0.00 C ATOM 297 C ARG A 20 3.005 5.583 8.095 1.00 0.00 C ATOM 298 O ARG A 20 3.168 4.444 8.532 1.00 0.00 O ATOM 299 CB ARG A 20 5.007 7.060 8.265 1.00 0.00 C ATOM 300 CG ARG A 20 6.103 7.811 7.507 1.00 0.00 C ATOM 301 CD ARG A 20 7.492 7.345 7.947 1.00 0.00 C ATOM 302 NE ARG A 20 8.315 8.509 8.344 1.00 0.00 N ATOM 303 CZ ARG A 20 8.001 9.344 9.343 1.00 0.00 C ATOM 304 NH1 ARG A 20 6.881 9.150 10.052 1.00 0.00 N ATOM 305 NH2 ARG A 20 8.807 10.375 9.633 1.00 0.00 N ATOM 0 H ARG A 20 3.843 8.123 6.347 1.00 0.00 H new ATOM 0 HA ARG A 20 4.717 5.531 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.404 7.767 8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.460 6.376 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.984 7.651 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.003 8.882 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.404 6.650 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.978 6.806 7.134 1.00 0.00 H new ATOM 0 HE ARG A 20 9.175 8.686 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.267 8.366 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.642 9.786 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.659 10.524 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.568 11.011 10.394 1.00 0.00 H new ATOM 319 N GLU A 21 1.900 6.297 8.259 1.00 0.00 N ATOM 320 CA GLU A 21 0.766 5.764 8.993 1.00 0.00 C ATOM 321 C GLU A 21 0.157 4.577 8.243 1.00 0.00 C ATOM 322 O GLU A 21 0.212 3.444 8.718 1.00 0.00 O ATOM 323 CB GLU A 21 -0.282 6.848 9.246 1.00 0.00 C ATOM 324 CG GLU A 21 0.127 7.746 10.415 1.00 0.00 C ATOM 325 CD GLU A 21 -0.973 7.799 11.478 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.094 8.214 11.114 1.00 0.00 O ATOM 327 OE2 GLU A 21 -0.668 7.422 12.629 1.00 0.00 O ATOM 0 H GLU A 21 1.767 7.241 7.895 1.00 0.00 H new ATOM 0 HA GLU A 21 1.119 5.413 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.410 7.451 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.245 6.385 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.049 7.372 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.334 8.752 10.050 1.00 0.00 H new ATOM 334 N THR A 22 -0.406 4.879 7.082 1.00 0.00 N ATOM 335 CA THR A 22 -1.024 3.851 6.262 1.00 0.00 C ATOM 336 C THR A 22 -0.139 2.605 6.211 1.00 0.00 C ATOM 337 O THR A 22 -0.640 1.482 6.210 1.00 0.00 O ATOM 338 CB THR A 22 -1.305 4.453 4.883 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.498 5.210 5.070 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.693 3.394 3.850 1.00 0.00 C ATOM 0 H THR A 22 -0.447 5.820 6.690 1.00 0.00 H new ATOM 0 HA THR A 22 -1.971 3.521 6.689 1.00 0.00 H new ATOM 0 HB THR A 22 -0.423 4.992 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.751 5.636 4.225 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.882 3.874 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.881 2.675 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.594 2.877 4.180 1.00 0.00 H new ATOM 348 N LYS A 23 1.164 2.844 6.172 1.00 0.00 N ATOM 349 CA LYS A 23 2.123 1.755 6.122 1.00 0.00 C ATOM 350 C LYS A 23 2.056 0.960 7.428 1.00 0.00 C ATOM 351 O LYS A 23 1.930 -0.263 7.409 1.00 0.00 O ATOM 352 CB LYS A 23 3.522 2.287 5.798 1.00 0.00 C ATOM 353 CG LYS A 23 3.825 2.157 4.304 1.00 0.00 C ATOM 354 CD LYS A 23 5.270 2.561 4.001 1.00 0.00 C ATOM 355 CE LYS A 23 5.361 4.051 3.664 1.00 0.00 C ATOM 356 NZ LYS A 23 6.445 4.295 2.686 1.00 0.00 N ATOM 0 H LYS A 23 1.577 3.776 6.174 1.00 0.00 H new ATOM 0 HA LYS A 23 1.873 1.066 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.596 3.332 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.267 1.737 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.656 1.129 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.141 2.786 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.902 2.339 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.649 1.971 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.411 4.397 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.546 4.625 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.244 5.167 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.350 4.396 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.503 3.494 2.025 1.00 0.00 H new ATOM 370 N ASP A 24 2.142 1.689 8.531 1.00 0.00 N ATOM 371 CA ASP A 24 2.092 1.068 9.844 1.00 0.00 C ATOM 372 C ASP A 24 0.727 0.404 10.038 1.00 0.00 C ATOM 373 O ASP A 24 0.639 -0.696 10.579 1.00 0.00 O ATOM 374 CB ASP A 24 2.274 2.107 10.953 1.00 0.00 C ATOM 375 CG ASP A 24 3.678 2.167 11.557 1.00 0.00 C ATOM 376 OD1 ASP A 24 4.491 1.290 11.195 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.907 3.090 12.369 1.00 0.00 O ATOM 0 H ASP A 24 2.246 2.704 8.543 1.00 0.00 H new ATOM 0 HA ASP A 24 2.897 0.335 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.024 3.090 10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.561 1.895 11.749 1.00 0.00 H new ATOM 382 N GLU A 25 -0.304 1.102 9.585 1.00 0.00 N ATOM 383 CA GLU A 25 -1.661 0.594 9.701 1.00 0.00 C ATOM 384 C GLU A 25 -1.759 -0.803 9.084 1.00 0.00 C ATOM 385 O GLU A 25 -2.417 -1.684 9.635 1.00 0.00 O ATOM 386 CB GLU A 25 -2.662 1.551 9.052 1.00 0.00 C ATOM 387 CG GLU A 25 -2.924 2.763 9.950 1.00 0.00 C ATOM 388 CD GLU A 25 -4.402 3.156 9.924 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.934 3.287 8.800 1.00 0.00 O ATOM 390 OE2 GLU A 25 -4.966 3.317 11.028 1.00 0.00 O ATOM 0 H GLU A 25 -0.227 2.015 9.137 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.912 0.521 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.279 1.885 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.598 1.028 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.623 2.534 10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.315 3.604 9.619 1.00 0.00 H new ATOM 397 N VAL A 26 -1.096 -0.961 7.948 1.00 0.00 N ATOM 398 CA VAL A 26 -1.101 -2.236 7.250 1.00 0.00 C ATOM 399 C VAL A 26 -0.168 -3.211 7.972 1.00 0.00 C ATOM 400 O VAL A 26 -0.484 -4.392 8.107 1.00 0.00 O ATOM 401 CB VAL A 26 -0.727 -2.030 5.781 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.495 -2.868 5.403 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.912 -2.343 4.865 1.00 0.00 C ATOM 0 H VAL A 26 -0.552 -0.228 7.493 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.100 -2.672 7.260 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.467 -0.980 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.739 -2.703 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.342 -2.576 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.276 -3.924 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.620 -2.189 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.217 -3.380 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.745 -1.684 5.109 1.00 0.00 H new ATOM 413 N ILE A 27 0.960 -2.680 8.419 1.00 0.00 N ATOM 414 CA ILE A 27 1.940 -3.489 9.123 1.00 0.00 C ATOM 415 C ILE A 27 1.240 -4.282 10.230 1.00 0.00 C ATOM 416 O ILE A 27 1.339 -5.507 10.278 1.00 0.00 O ATOM 417 CB ILE A 27 3.093 -2.617 9.627 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.898 -2.045 8.459 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.976 -3.390 10.608 1.00 0.00 C ATOM 420 CD1 ILE A 27 5.128 -2.907 8.167 1.00 0.00 C ATOM 0 H ILE A 27 1.217 -1.699 8.307 1.00 0.00 H new ATOM 0 HA ILE A 27 2.391 -4.215 8.446 1.00 0.00 H new ATOM 0 HB ILE A 27 2.671 -1.772 10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.268 -1.991 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.210 -1.027 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.787 -2.748 10.951 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.379 -3.708 11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.392 -4.266 10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.683 -2.478 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.767 -2.939 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.811 -3.918 7.911 1.00 0.00 H new ATOM 432 N ALA A 28 0.549 -3.550 11.091 1.00 0.00 N ATOM 433 CA ALA A 28 -0.168 -4.169 12.193 1.00 0.00 C ATOM 434 C ALA A 28 -1.403 -4.890 11.652 1.00 0.00 C ATOM 435 O ALA A 28 -1.558 -6.095 11.846 1.00 0.00 O ATOM 436 CB ALA A 28 -0.523 -3.105 13.233 1.00 0.00 C ATOM 0 H ALA A 28 0.470 -2.534 11.048 1.00 0.00 H new ATOM 0 HA ALA A 28 0.457 -4.913 12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.061 -3.569 14.060 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.391 -2.644 13.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.152 -2.343 12.773 1.00 0.00 H new ATOM 442 N GLU A 29 -2.252 -4.124 10.983 1.00 0.00 N ATOM 443 CA GLU A 29 -3.468 -4.675 10.411 1.00 0.00 C ATOM 444 C GLU A 29 -3.206 -6.075 9.854 1.00 0.00 C ATOM 445 O GLU A 29 -3.648 -7.069 10.429 1.00 0.00 O ATOM 446 CB GLU A 29 -4.034 -3.751 9.330 1.00 0.00 C ATOM 447 CG GLU A 29 -5.262 -4.375 8.664 1.00 0.00 C ATOM 448 CD GLU A 29 -5.028 -4.580 7.166 1.00 0.00 C ATOM 449 OE1 GLU A 29 -3.998 -5.204 6.832 1.00 0.00 O ATOM 450 OE2 GLU A 29 -5.886 -4.108 6.389 1.00 0.00 O ATOM 0 H GLU A 29 -2.121 -3.125 10.824 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.214 -4.754 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.303 -2.791 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.269 -3.553 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.489 -5.332 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.129 -3.732 8.816 1.00 0.00 H new ATOM 457 N GLY A 30 -2.488 -6.110 8.741 1.00 0.00 N ATOM 458 CA GLY A 30 -2.162 -7.372 8.100 1.00 0.00 C ATOM 459 C GLY A 30 -0.889 -7.248 7.261 1.00 0.00 C ATOM 460 O GLY A 30 0.165 -7.749 7.649 1.00 0.00 O ATOM 0 H GLY A 30 -2.123 -5.284 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.029 -8.145 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.991 -7.687 7.466 1.00 0.00 H new ATOM 464 N GLY A 31 -1.029 -6.577 6.127 1.00 0.00 N ATOM 465 CA GLY A 31 0.097 -6.381 5.230 1.00 0.00 C ATOM 466 C GLY A 31 1.354 -5.982 6.006 1.00 0.00 C ATOM 467 O GLY A 31 1.286 -5.698 7.201 1.00 0.00 O ATOM 0 H GLY A 31 -1.905 -6.162 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.286 -7.298 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.145 -5.608 4.501 1.00 0.00 H new ATOM 471 N THR A 32 2.472 -5.972 5.295 1.00 0.00 N ATOM 472 CA THR A 32 3.742 -5.613 5.902 1.00 0.00 C ATOM 473 C THR A 32 4.566 -4.751 4.944 1.00 0.00 C ATOM 474 O THR A 32 4.096 -4.394 3.866 1.00 0.00 O ATOM 475 CB THR A 32 4.449 -6.903 6.321 1.00 0.00 C ATOM 476 OG1 THR A 32 3.384 -7.791 6.654 1.00 0.00 O ATOM 477 CG2 THR A 32 5.228 -6.748 7.628 1.00 0.00 C ATOM 0 H THR A 32 2.524 -6.207 4.304 1.00 0.00 H new ATOM 0 HA THR A 32 3.595 -5.003 6.793 1.00 0.00 H new ATOM 0 HB THR A 32 5.129 -7.216 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.753 -8.654 6.936 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.710 -7.693 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.986 -5.974 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.544 -6.466 8.428 1.00 0.00 H new ATOM 485 N ILE A 33 5.781 -4.444 5.373 1.00 0.00 N ATOM 486 CA ILE A 33 6.676 -3.631 4.566 1.00 0.00 C ATOM 487 C ILE A 33 8.087 -4.217 4.629 1.00 0.00 C ATOM 488 O ILE A 33 8.636 -4.408 5.713 1.00 0.00 O ATOM 489 CB ILE A 33 6.600 -2.164 4.995 1.00 0.00 C ATOM 490 CG1 ILE A 33 5.148 -1.722 5.182 1.00 0.00 C ATOM 491 CG2 ILE A 33 7.350 -1.265 4.010 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.488 -1.421 3.834 1.00 0.00 C ATOM 0 H ILE A 33 6.167 -4.743 6.268 1.00 0.00 H new ATOM 0 HA ILE A 33 6.369 -3.650 3.520 1.00 0.00 H new ATOM 0 HB ILE A 33 7.094 -2.065 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.590 -2.503 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.113 -0.835 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.280 -0.228 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.398 -1.563 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.907 -1.362 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.456 -1.109 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.034 -0.623 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.503 -2.317 3.213 1.00 0.00 H new ATOM 504 N THR A 34 8.634 -4.487 3.453 1.00 0.00 N ATOM 505 CA THR A 34 9.972 -5.048 3.360 1.00 0.00 C ATOM 506 C THR A 34 10.917 -4.063 2.670 1.00 0.00 C ATOM 507 O THR A 34 12.107 -4.020 2.976 1.00 0.00 O ATOM 508 CB THR A 34 9.870 -6.397 2.645 1.00 0.00 C ATOM 509 OG1 THR A 34 9.663 -6.050 1.278 1.00 0.00 O ATOM 510 CG2 THR A 34 8.607 -7.169 3.029 1.00 0.00 C ATOM 0 H THR A 34 8.175 -4.328 2.556 1.00 0.00 H new ATOM 0 HA THR A 34 10.399 -5.219 4.348 1.00 0.00 H new ATOM 0 HB THR A 34 10.748 -6.999 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.522 -6.054 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.584 -8.118 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.608 -7.358 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.727 -6.582 2.765 1.00 0.00 H new ATOM 518 N ASN A 35 10.351 -3.295 1.750 1.00 0.00 N ATOM 519 CA ASN A 35 11.129 -2.314 1.013 1.00 0.00 C ATOM 520 C ASN A 35 10.211 -1.174 0.567 1.00 0.00 C ATOM 521 O ASN A 35 9.383 -1.352 -0.325 1.00 0.00 O ATOM 522 CB ASN A 35 11.754 -2.933 -0.238 1.00 0.00 C ATOM 523 CG ASN A 35 12.232 -4.361 0.037 1.00 0.00 C ATOM 524 OD1 ASN A 35 11.517 -5.331 -0.159 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.476 -4.435 0.501 1.00 0.00 N ATOM 0 H ASN A 35 9.363 -3.332 1.498 1.00 0.00 H new ATOM 0 HA ASN A 35 11.920 -1.949 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.025 -2.939 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.594 -2.322 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.887 -5.343 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.019 -3.583 0.642 1.00 0.00 H new ATOM 532 N GLU A 36 10.389 -0.028 1.207 1.00 0.00 N ATOM 533 CA GLU A 36 9.588 1.141 0.888 1.00 0.00 C ATOM 534 C GLU A 36 10.278 1.980 -0.190 1.00 0.00 C ATOM 535 O GLU A 36 11.460 1.786 -0.471 1.00 0.00 O ATOM 536 CB GLU A 36 9.313 1.976 2.140 1.00 0.00 C ATOM 537 CG GLU A 36 10.458 2.955 2.408 1.00 0.00 C ATOM 538 CD GLU A 36 11.747 2.209 2.757 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.337 1.627 1.822 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.113 2.237 3.952 1.00 0.00 O ATOM 0 H GLU A 36 11.077 0.116 1.946 1.00 0.00 H new ATOM 0 HA GLU A 36 8.628 0.803 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.380 2.526 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.184 1.318 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.621 3.579 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.187 3.622 3.226 1.00 0.00 H new ATOM 547 N TYR A 37 9.510 2.894 -0.765 1.00 0.00 N ATOM 548 CA TYR A 37 10.033 3.763 -1.806 1.00 0.00 C ATOM 549 C TYR A 37 9.963 5.230 -1.381 1.00 0.00 C ATOM 550 O TYR A 37 9.045 5.950 -1.771 1.00 0.00 O ATOM 551 CB TYR A 37 9.131 3.552 -3.024 1.00 0.00 C ATOM 552 CG TYR A 37 9.187 2.138 -3.603 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.404 1.523 -3.807 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.018 1.476 -3.922 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.457 0.191 -4.352 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.070 0.145 -4.468 1.00 0.00 C ATOM 557 CZ TYR A 37 9.287 -0.432 -4.656 1.00 0.00 C ATOM 558 OH TYR A 37 9.337 -1.690 -5.171 1.00 0.00 O ATOM 0 H TYR A 37 8.530 3.052 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 37 11.077 3.528 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.102 3.778 -2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.414 4.263 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.319 2.041 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.064 1.957 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.404 -0.302 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.163 -0.383 -4.723 1.00 0.00 H new ATOM 0 HH TYR A 37 8.426 -2.011 -5.339 1.00 0.00 H new ATOM 568 N ASN A 38 10.947 5.631 -0.589 1.00 0.00 N ATOM 569 CA ASN A 38 11.008 7.001 -0.107 1.00 0.00 C ATOM 570 C ASN A 38 11.664 7.882 -1.172 1.00 0.00 C ATOM 571 O ASN A 38 12.850 8.196 -1.080 1.00 0.00 O ATOM 572 CB ASN A 38 11.846 7.099 1.169 1.00 0.00 C ATOM 573 CG ASN A 38 13.164 6.337 1.019 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.539 5.898 -0.055 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.845 6.204 2.154 1.00 0.00 N ATOM 0 H ASN A 38 11.708 5.032 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 38 9.991 7.330 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.051 8.146 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.282 6.696 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.738 5.710 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.475 6.596 3.020 1.00 0.00 H new ATOM 582 N MET A 39 10.863 8.257 -2.159 1.00 0.00 N ATOM 583 CA MET A 39 11.352 9.097 -3.240 1.00 0.00 C ATOM 584 C MET A 39 10.482 10.346 -3.400 1.00 0.00 C ATOM 585 O MET A 39 9.344 10.379 -2.931 1.00 0.00 O ATOM 586 CB MET A 39 11.346 8.301 -4.547 1.00 0.00 C ATOM 587 CG MET A 39 12.771 7.952 -4.981 1.00 0.00 C ATOM 588 SD MET A 39 12.833 6.270 -5.578 1.00 0.00 S ATOM 589 CE MET A 39 14.262 5.678 -4.689 1.00 0.00 C ATOM 0 H MET A 39 9.880 7.995 -2.233 1.00 0.00 H new ATOM 0 HA MET A 39 12.367 9.412 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.767 7.387 -4.418 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.855 8.881 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.100 8.636 -5.763 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.456 8.074 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.444 4.635 -4.947 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.132 6.276 -4.959 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.084 5.761 -3.617 1.00 0.00 H new ATOM 599 N PRO A 40 11.065 11.369 -4.079 1.00 0.00 N ATOM 600 CA PRO A 40 10.355 12.617 -4.306 1.00 0.00 C ATOM 601 C PRO A 40 9.293 12.453 -5.395 1.00 0.00 C ATOM 602 O PRO A 40 8.161 12.906 -5.235 1.00 0.00 O ATOM 603 CB PRO A 40 11.435 13.621 -4.676 1.00 0.00 C ATOM 604 CG PRO A 40 12.643 12.799 -5.095 1.00 0.00 C ATOM 605 CD PRO A 40 12.410 11.365 -4.648 1.00 0.00 C ATOM 0 HA PRO A 40 9.801 12.952 -3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.104 14.270 -5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.675 14.265 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.779 12.844 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.551 13.197 -4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.484 10.672 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.151 11.054 -3.911 1.00 0.00 H new ATOM 613 N GLY A 41 9.697 11.806 -6.478 1.00 0.00 N ATOM 614 CA GLY A 41 8.794 11.577 -7.593 1.00 0.00 C ATOM 615 C GLY A 41 8.106 10.216 -7.471 1.00 0.00 C ATOM 616 O GLY A 41 7.370 9.805 -8.368 1.00 0.00 O ATOM 0 H GLY A 41 10.638 11.433 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.043 12.366 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.348 11.626 -8.530 1.00 0.00 H new ATOM 620 N MET A 42 8.370 9.553 -6.355 1.00 0.00 N ATOM 621 CA MET A 42 7.786 8.246 -6.105 1.00 0.00 C ATOM 622 C MET A 42 7.667 7.977 -4.604 1.00 0.00 C ATOM 623 O MET A 42 8.621 7.525 -3.972 1.00 0.00 O ATOM 624 CB MET A 42 8.657 7.165 -6.749 1.00 0.00 C ATOM 625 CG MET A 42 7.804 5.993 -7.238 1.00 0.00 C ATOM 626 SD MET A 42 7.901 5.867 -9.015 1.00 0.00 S ATOM 627 CE MET A 42 7.924 4.091 -9.199 1.00 0.00 C ATOM 0 H MET A 42 8.981 9.896 -5.614 1.00 0.00 H new ATOM 0 HA MET A 42 6.787 8.227 -6.540 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.211 7.590 -7.586 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.393 6.808 -6.028 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.149 5.066 -6.780 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.768 6.134 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.983 3.836 -10.257 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.790 3.682 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.013 3.669 -8.774 1.00 0.00 H new ATOM 637 N LYS A 43 6.487 8.267 -4.075 1.00 0.00 N ATOM 638 CA LYS A 43 6.230 8.063 -2.660 1.00 0.00 C ATOM 639 C LYS A 43 5.310 6.853 -2.482 1.00 0.00 C ATOM 640 O LYS A 43 4.098 7.007 -2.339 1.00 0.00 O ATOM 641 CB LYS A 43 5.691 9.344 -2.022 1.00 0.00 C ATOM 642 CG LYS A 43 4.846 10.140 -3.020 1.00 0.00 C ATOM 643 CD LYS A 43 3.935 11.134 -2.297 1.00 0.00 C ATOM 644 CE LYS A 43 4.182 12.561 -2.789 1.00 0.00 C ATOM 645 NZ LYS A 43 5.196 13.232 -1.945 1.00 0.00 N ATOM 0 H LYS A 43 5.698 8.642 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 43 7.158 7.839 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.089 9.094 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.521 9.958 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.499 10.675 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.243 9.457 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.892 10.864 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.112 11.080 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.518 12.541 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.250 13.126 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.352 14.200 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.861 13.267 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.089 12.701 -1.987 1.00 0.00 H new ATOM 659 N GLY A 44 5.921 5.678 -2.497 1.00 0.00 N ATOM 660 CA GLY A 44 5.172 4.443 -2.339 1.00 0.00 C ATOM 661 C GLY A 44 5.933 3.449 -1.459 1.00 0.00 C ATOM 662 O GLY A 44 6.942 3.799 -0.851 1.00 0.00 O ATOM 0 H GLY A 44 6.926 5.555 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.200 4.657 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.985 3.999 -3.317 1.00 0.00 H new ATOM 666 N PHE A 45 5.417 2.229 -1.419 1.00 0.00 N ATOM 667 CA PHE A 45 6.035 1.181 -0.623 1.00 0.00 C ATOM 668 C PHE A 45 5.830 -0.190 -1.269 1.00 0.00 C ATOM 669 O PHE A 45 4.943 -0.362 -2.102 1.00 0.00 O ATOM 670 CB PHE A 45 5.351 1.195 0.745 1.00 0.00 C ATOM 671 CG PHE A 45 3.941 0.602 0.741 1.00 0.00 C ATOM 672 CD1 PHE A 45 3.769 -0.740 0.598 1.00 0.00 C ATOM 673 CD2 PHE A 45 2.860 1.414 0.882 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.460 -1.292 0.595 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.551 0.863 0.878 1.00 0.00 C ATOM 676 CZ PHE A 45 1.380 -0.479 0.736 1.00 0.00 C ATOM 0 H PHE A 45 4.579 1.943 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 45 7.107 1.358 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.966 0.639 1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.301 2.223 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.628 -1.386 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.997 2.479 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.323 -2.357 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.692 1.509 0.988 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.385 -0.899 0.735 1.00 0.00 H new ATOM 686 N ALA A 46 6.667 -1.133 -0.859 1.00 0.00 N ATOM 687 CA ALA A 46 6.589 -2.484 -1.386 1.00 0.00 C ATOM 688 C ALA A 46 6.781 -3.485 -0.245 1.00 0.00 C ATOM 689 O ALA A 46 7.795 -3.451 0.451 1.00 0.00 O ATOM 690 CB ALA A 46 7.626 -2.660 -2.497 1.00 0.00 C ATOM 0 H ALA A 46 7.403 -0.987 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 46 5.608 -2.668 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.567 -3.674 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.427 -1.947 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.624 -2.485 -2.095 1.00 0.00 H new ATOM 696 N GLY A 47 5.791 -4.352 -0.087 1.00 0.00 N ATOM 697 CA GLY A 47 5.839 -5.360 0.958 1.00 0.00 C ATOM 698 C GLY A 47 4.794 -6.451 0.715 1.00 0.00 C ATOM 699 O GLY A 47 4.669 -6.960 -0.398 1.00 0.00 O ATOM 0 H GLY A 47 4.951 -4.377 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.833 -5.805 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.664 -4.893 1.927 1.00 0.00 H new ATOM 703 N GLU A 48 4.072 -6.780 1.776 1.00 0.00 N ATOM 704 CA GLU A 48 3.042 -7.802 1.692 1.00 0.00 C ATOM 705 C GLU A 48 1.666 -7.192 1.965 1.00 0.00 C ATOM 706 O GLU A 48 1.526 -6.331 2.833 1.00 0.00 O ATOM 707 CB GLU A 48 3.333 -8.953 2.656 1.00 0.00 C ATOM 708 CG GLU A 48 4.492 -9.814 2.148 1.00 0.00 C ATOM 709 CD GLU A 48 5.465 -10.146 3.282 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.060 -9.963 4.450 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.592 -10.575 2.955 1.00 0.00 O ATOM 0 H GLU A 48 4.180 -6.357 2.698 1.00 0.00 H new ATOM 0 HA GLU A 48 3.043 -8.209 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.576 -8.555 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.441 -9.569 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.103 -10.736 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.020 -9.287 1.353 1.00 0.00 H new ATOM 718 N LEU A 49 0.684 -7.663 1.209 1.00 0.00 N ATOM 719 CA LEU A 49 -0.676 -7.174 1.359 1.00 0.00 C ATOM 720 C LEU A 49 -1.652 -8.340 1.194 1.00 0.00 C ATOM 721 O LEU A 49 -1.246 -9.501 1.195 1.00 0.00 O ATOM 722 CB LEU A 49 -0.937 -6.011 0.399 1.00 0.00 C ATOM 723 CG LEU A 49 -0.735 -4.609 0.974 1.00 0.00 C ATOM 724 CD1 LEU A 49 -0.247 -3.639 -0.104 1.00 0.00 C ATOM 725 CD2 LEU A 49 -2.008 -4.109 1.660 1.00 0.00 C ATOM 0 H LEU A 49 0.804 -8.378 0.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.828 -6.769 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.283 -6.125 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.962 -6.089 0.036 1.00 0.00 H new ATOM 0 HG LEU A 49 0.043 -4.662 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.111 -2.649 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.702 -3.991 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.984 -3.585 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.837 -3.110 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.822 -4.076 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.273 -4.785 2.473 1.00 0.00 H new ATOM 737 N THR A 50 -2.923 -7.991 1.056 1.00 0.00 N ATOM 738 CA THR A 50 -3.961 -8.993 0.890 1.00 0.00 C ATOM 739 C THR A 50 -5.160 -8.402 0.145 1.00 0.00 C ATOM 740 O THR A 50 -5.108 -7.262 -0.315 1.00 0.00 O ATOM 741 CB THR A 50 -4.316 -9.540 2.275 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.318 -8.992 3.131 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.107 -11.052 2.378 1.00 0.00 C ATOM 0 H THR A 50 -3.257 -7.027 1.056 1.00 0.00 H new ATOM 0 HA THR A 50 -3.614 -9.823 0.275 1.00 0.00 H new ATOM 0 HB THR A 50 -5.354 -9.301 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.473 -9.295 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.373 -11.389 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.737 -11.557 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.061 -11.289 2.182 1.00 0.00 H new ATOM 751 N PRO A 51 -6.238 -9.225 0.047 1.00 0.00 N ATOM 752 CA PRO A 51 -7.447 -8.796 -0.635 1.00 0.00 C ATOM 753 C PRO A 51 -8.238 -7.806 0.222 1.00 0.00 C ATOM 754 O PRO A 51 -8.866 -6.888 -0.302 1.00 0.00 O ATOM 755 CB PRO A 51 -8.213 -10.077 -0.922 1.00 0.00 C ATOM 756 CG PRO A 51 -7.635 -11.126 0.014 1.00 0.00 C ATOM 757 CD PRO A 51 -6.334 -10.581 0.579 1.00 0.00 C ATOM 0 HA PRO A 51 -7.239 -8.256 -1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.280 -9.942 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.097 -10.376 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.337 -11.348 0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.458 -12.059 -0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.346 -10.579 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.483 -11.188 0.271 1.00 0.00 H new ATOM 765 N GLN A 52 -8.180 -8.025 1.528 1.00 0.00 N ATOM 766 CA GLN A 52 -8.883 -7.163 2.464 1.00 0.00 C ATOM 767 C GLN A 52 -8.308 -5.747 2.415 1.00 0.00 C ATOM 768 O GLN A 52 -9.028 -4.790 2.136 1.00 0.00 O ATOM 769 CB GLN A 52 -8.824 -7.732 3.882 1.00 0.00 C ATOM 770 CG GLN A 52 -9.473 -6.774 4.884 1.00 0.00 C ATOM 771 CD GLN A 52 -9.367 -7.318 6.311 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.353 -7.521 7.000 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.119 -7.542 6.712 1.00 0.00 N ATOM 0 H GLN A 52 -7.657 -8.787 1.960 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.932 -7.117 2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.333 -8.696 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.786 -7.910 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.989 -5.799 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.521 -6.626 4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.339 -7.350 6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.942 -7.906 7.648 1.00 0.00 H new ATOM 782 N SER A 53 -7.015 -5.658 2.691 1.00 0.00 N ATOM 783 CA SER A 53 -6.335 -4.374 2.683 1.00 0.00 C ATOM 784 C SER A 53 -6.550 -3.677 1.338 1.00 0.00 C ATOM 785 O SER A 53 -6.668 -2.453 1.282 1.00 0.00 O ATOM 786 CB SER A 53 -4.840 -4.540 2.961 1.00 0.00 C ATOM 787 OG SER A 53 -4.529 -4.357 4.340 1.00 0.00 O ATOM 0 H SER A 53 -6.421 -6.454 2.922 1.00 0.00 H new ATOM 0 HA SER A 53 -6.758 -3.758 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.521 -5.534 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.278 -3.821 2.364 1.00 0.00 H new ATOM 0 HG SER A 53 -5.303 -3.972 4.802 1.00 0.00 H new ATOM 793 N LEU A 54 -6.595 -4.485 0.290 1.00 0.00 N ATOM 794 CA LEU A 54 -6.793 -3.960 -1.052 1.00 0.00 C ATOM 795 C LEU A 54 -8.024 -3.051 -1.061 1.00 0.00 C ATOM 796 O LEU A 54 -7.896 -1.829 -1.077 1.00 0.00 O ATOM 797 CB LEU A 54 -6.863 -5.102 -2.068 1.00 0.00 C ATOM 798 CG LEU A 54 -5.690 -5.202 -3.045 1.00 0.00 C ATOM 799 CD1 LEU A 54 -4.382 -5.487 -2.303 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.970 -6.240 -4.132 1.00 0.00 C ATOM 0 H LEU A 54 -6.498 -5.499 0.342 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.942 -3.349 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.938 -6.043 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.782 -4.994 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.575 -4.239 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.564 -5.553 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.181 -4.681 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.468 -6.430 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.121 -6.291 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.126 -7.216 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.863 -5.954 -4.687 1.00 0.00 H new ATOM 812 N THR A 55 -9.188 -3.685 -1.052 1.00 0.00 N ATOM 813 CA THR A 55 -10.440 -2.949 -1.060 1.00 0.00 C ATOM 814 C THR A 55 -10.328 -1.695 -0.190 1.00 0.00 C ATOM 815 O THR A 55 -10.989 -0.692 -0.452 1.00 0.00 O ATOM 816 CB THR A 55 -11.552 -3.901 -0.613 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.496 -4.967 -1.558 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.947 -3.304 -0.806 1.00 0.00 C ATOM 0 H THR A 55 -9.290 -4.700 -1.039 1.00 0.00 H new ATOM 0 HA THR A 55 -10.681 -2.591 -2.061 1.00 0.00 H new ATOM 0 HB THR A 55 -11.410 -4.158 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.183 -5.632 -1.342 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.698 -4.020 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.035 -2.388 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.103 -3.078 -1.861 1.00 0.00 H new ATOM 826 N LYS A 56 -9.486 -1.794 0.828 1.00 0.00 N ATOM 827 CA LYS A 56 -9.278 -0.681 1.739 1.00 0.00 C ATOM 828 C LYS A 56 -8.885 0.561 0.937 1.00 0.00 C ATOM 829 O LYS A 56 -9.679 1.489 0.794 1.00 0.00 O ATOM 830 CB LYS A 56 -8.268 -1.059 2.825 1.00 0.00 C ATOM 831 CG LYS A 56 -8.660 -0.451 4.173 1.00 0.00 C ATOM 832 CD LYS A 56 -8.318 1.040 4.223 1.00 0.00 C ATOM 833 CE LYS A 56 -6.806 1.258 4.134 1.00 0.00 C ATOM 834 NZ LYS A 56 -6.466 2.665 4.442 1.00 0.00 N ATOM 0 H LYS A 56 -8.940 -2.628 1.042 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.201 -0.441 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.213 -2.144 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.275 -0.711 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.728 -0.588 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.141 -0.974 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.813 1.558 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.698 1.473 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.295 0.593 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.454 1.003 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.436 2.796 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.938 3.293 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.784 2.896 5.405 1.00 0.00 H new ATOM 848 N PHE A 57 -7.659 0.539 0.435 1.00 0.00 N ATOM 849 CA PHE A 57 -7.150 1.651 -0.348 1.00 0.00 C ATOM 850 C PHE A 57 -7.492 1.481 -1.829 1.00 0.00 C ATOM 851 O PHE A 57 -7.180 2.346 -2.646 1.00 0.00 O ATOM 852 CB PHE A 57 -5.628 1.655 -0.185 1.00 0.00 C ATOM 853 CG PHE A 57 -4.980 0.281 -0.366 1.00 0.00 C ATOM 854 CD1 PHE A 57 -5.085 -0.369 -1.557 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.300 -0.291 0.662 1.00 0.00 C ATOM 856 CE1 PHE A 57 -4.483 -1.643 -1.726 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.697 -1.566 0.494 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.802 -2.215 -0.697 1.00 0.00 C ATOM 0 H PHE A 57 -7.003 -0.233 0.556 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.598 2.583 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.197 2.347 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.380 2.035 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.627 0.085 -2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.218 0.224 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.566 -2.158 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.156 -2.020 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.344 -3.185 -0.825 1.00 0.00 H new ATOM 868 N GLN A 58 -8.129 0.359 -2.131 1.00 0.00 N ATOM 869 CA GLN A 58 -8.518 0.065 -3.500 1.00 0.00 C ATOM 870 C GLN A 58 -9.816 0.792 -3.853 1.00 0.00 C ATOM 871 O GLN A 58 -10.845 0.578 -3.212 1.00 0.00 O ATOM 872 CB GLN A 58 -8.658 -1.443 -3.717 1.00 0.00 C ATOM 873 CG GLN A 58 -7.295 -2.089 -3.980 1.00 0.00 C ATOM 874 CD GLN A 58 -7.060 -2.283 -5.479 1.00 0.00 C ATOM 875 OE1 GLN A 58 -7.909 -1.997 -6.309 1.00 0.00 O ATOM 876 NE2 GLN A 58 -5.866 -2.784 -5.780 1.00 0.00 N ATOM 0 H GLN A 58 -8.385 -0.357 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.733 0.424 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.117 -1.899 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.323 -1.632 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.506 -1.464 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.241 -3.052 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.202 -3.001 -5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.614 -2.951 -6.754 1.00 0.00 H new ATOM 885 N GLY A 59 -9.727 1.636 -4.869 1.00 0.00 N ATOM 886 CA GLY A 59 -10.882 2.397 -5.314 1.00 0.00 C ATOM 887 C GLY A 59 -10.713 3.884 -5.001 1.00 0.00 C ATOM 888 O GLY A 59 -11.257 4.736 -5.703 1.00 0.00 O ATOM 0 H GLY A 59 -8.872 1.810 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.020 2.261 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.781 2.019 -4.826 1.00 0.00 H new ATOM 892 N LEU A 60 -9.958 4.152 -3.946 1.00 0.00 N ATOM 893 CA LEU A 60 -9.710 5.523 -3.531 1.00 0.00 C ATOM 894 C LEU A 60 -8.699 6.165 -4.483 1.00 0.00 C ATOM 895 O LEU A 60 -8.459 7.370 -4.420 1.00 0.00 O ATOM 896 CB LEU A 60 -9.287 5.569 -2.062 1.00 0.00 C ATOM 897 CG LEU A 60 -10.413 5.764 -1.045 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.724 5.163 -1.558 1.00 0.00 C ATOM 899 CD2 LEU A 60 -10.021 5.201 0.323 1.00 0.00 C ATOM 0 H LEU A 60 -9.510 3.443 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.625 6.112 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.767 4.641 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.567 6.378 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.577 6.834 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.509 5.315 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.007 5.650 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.591 4.095 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.839 5.353 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.814 4.135 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.130 5.714 0.686 1.00 0.00 H new ATOM 911 N GLN A 61 -8.133 5.332 -5.344 1.00 0.00 N ATOM 912 CA GLN A 61 -7.153 5.802 -6.308 1.00 0.00 C ATOM 913 C GLN A 61 -7.573 7.162 -6.870 1.00 0.00 C ATOM 914 O GLN A 61 -8.763 7.438 -7.014 1.00 0.00 O ATOM 915 CB GLN A 61 -6.955 4.783 -7.431 1.00 0.00 C ATOM 916 CG GLN A 61 -6.428 3.456 -6.880 1.00 0.00 C ATOM 917 CD GLN A 61 -6.978 2.273 -7.680 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.153 2.530 -8.973 1.00 0.00 O flip ATOM 919 NE2 GLN A 61 -7.228 1.200 -7.159 1.00 0.00 N flip ATOM 0 H GLN A 61 -8.335 4.333 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.197 5.920 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.901 4.617 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.255 5.179 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.339 3.450 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.712 3.355 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.070 1.069 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.595 0.433 -7.722 1.00 0.00 H new ATOM 928 N GLY A 62 -6.572 7.977 -7.172 1.00 0.00 N ATOM 929 CA GLY A 62 -6.822 9.301 -7.714 1.00 0.00 C ATOM 930 C GLY A 62 -6.986 10.331 -6.595 1.00 0.00 C ATOM 931 O GLY A 62 -6.780 11.524 -6.808 1.00 0.00 O ATOM 0 H GLY A 62 -5.586 7.745 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.997 9.593 -8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.721 9.282 -8.330 1.00 0.00 H new ATOM 935 N ASP A 63 -7.356 9.832 -5.424 1.00 0.00 N ATOM 936 CA ASP A 63 -7.550 10.693 -4.270 1.00 0.00 C ATOM 937 C ASP A 63 -6.585 10.275 -3.159 1.00 0.00 C ATOM 938 O ASP A 63 -6.520 10.919 -2.113 1.00 0.00 O ATOM 939 CB ASP A 63 -8.976 10.574 -3.729 1.00 0.00 C ATOM 940 CG ASP A 63 -9.640 11.903 -3.359 1.00 0.00 C ATOM 941 OD1 ASP A 63 -9.371 12.890 -4.075 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.401 11.899 -2.368 1.00 0.00 O ATOM 0 H ASP A 63 -7.527 8.842 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.367 11.721 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.592 10.073 -4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.962 9.934 -2.847 1.00 0.00 H new ATOM 947 N LEU A 64 -5.860 9.197 -3.423 1.00 0.00 N ATOM 948 CA LEU A 64 -4.902 8.686 -2.458 1.00 0.00 C ATOM 949 C LEU A 64 -3.888 7.794 -3.176 1.00 0.00 C ATOM 950 O LEU A 64 -2.703 8.120 -3.238 1.00 0.00 O ATOM 951 CB LEU A 64 -5.625 7.988 -1.304 1.00 0.00 C ATOM 952 CG LEU A 64 -4.911 6.776 -0.701 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.578 7.182 -0.069 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.817 6.046 0.292 1.00 0.00 C ATOM 0 H LEU A 64 -5.917 8.664 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.343 9.505 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.792 8.718 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.606 7.669 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.685 6.077 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.092 6.302 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.934 7.623 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.757 7.910 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.286 5.189 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.095 6.725 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.716 5.703 -0.220 1.00 0.00 H new ATOM 966 N ILE A 65 -4.389 6.687 -3.703 1.00 0.00 N ATOM 967 CA ILE A 65 -3.542 5.746 -4.416 1.00 0.00 C ATOM 968 C ILE A 65 -3.293 6.263 -5.834 1.00 0.00 C ATOM 969 O ILE A 65 -4.237 6.571 -6.560 1.00 0.00 O ATOM 970 CB ILE A 65 -4.145 4.340 -4.369 1.00 0.00 C ATOM 971 CG1 ILE A 65 -4.064 3.756 -2.958 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.487 3.427 -5.406 1.00 0.00 C ATOM 973 CD1 ILE A 65 -4.098 2.227 -2.995 1.00 0.00 C ATOM 0 H ILE A 65 -5.372 6.420 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.569 5.666 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.202 4.412 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.147 4.091 -2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.895 4.127 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.933 2.434 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.640 3.840 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.419 3.356 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.039 1.837 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.027 1.895 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.252 1.858 -3.575 1.00 0.00 H new ATOM 985 N ASP A 66 -2.019 6.340 -6.188 1.00 0.00 N ATOM 986 CA ASP A 66 -1.635 6.814 -7.506 1.00 0.00 C ATOM 987 C ASP A 66 -1.502 5.619 -8.453 1.00 0.00 C ATOM 988 O ASP A 66 -1.905 5.694 -9.613 1.00 0.00 O ATOM 989 CB ASP A 66 -0.286 7.534 -7.462 1.00 0.00 C ATOM 990 CG ASP A 66 -0.285 8.942 -8.062 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.385 9.533 -8.124 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.815 9.394 -8.446 1.00 0.00 O ATOM 0 H ASP A 66 -1.239 6.082 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.402 7.507 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.042 7.597 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.449 6.929 -7.992 1.00 0.00 H new ATOM 997 N SER A 67 -0.935 4.545 -7.924 1.00 0.00 N ATOM 998 CA SER A 67 -0.744 3.337 -8.708 1.00 0.00 C ATOM 999 C SER A 67 -0.736 2.114 -7.790 1.00 0.00 C ATOM 1000 O SER A 67 -0.100 2.127 -6.737 1.00 0.00 O ATOM 1001 CB SER A 67 0.555 3.403 -9.515 1.00 0.00 C ATOM 1002 OG SER A 67 0.574 4.516 -10.405 1.00 0.00 O ATOM 0 H SER A 67 -0.602 4.486 -6.962 1.00 0.00 H new ATOM 0 HA SER A 67 -1.573 3.251 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.403 3.470 -8.833 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.676 2.481 -10.084 1.00 0.00 H new ATOM 0 HG SER A 67 1.419 4.524 -10.901 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.449 1.084 -8.222 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.533 -0.145 -7.452 1.00 0.00 C ATOM 1010 C ILE A 68 -1.033 -1.312 -8.306 1.00 0.00 C ATOM 1011 O ILE A 68 -1.526 -1.534 -9.411 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.950 -0.343 -6.910 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.945 -1.253 -5.680 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.887 -0.861 -8.003 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.203 -0.451 -4.403 1.00 0.00 C ATOM 0 H ILE A 68 -1.974 1.076 -9.096 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.887 -0.090 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.332 0.627 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.708 -2.023 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.985 -1.764 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.888 -0.993 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.923 -0.142 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.518 -1.817 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.194 -1.122 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.425 0.302 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.174 0.039 -4.471 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.060 -2.028 -7.762 1.00 0.00 N ATOM 1028 CA GLU A 69 0.513 -3.166 -8.460 1.00 0.00 C ATOM 1029 C GLU A 69 0.426 -4.421 -7.589 1.00 0.00 C ATOM 1030 O GLU A 69 1.436 -4.889 -7.067 1.00 0.00 O ATOM 1031 CB GLU A 69 1.959 -2.885 -8.874 1.00 0.00 C ATOM 1032 CG GLU A 69 2.161 -3.141 -10.369 1.00 0.00 C ATOM 1033 CD GLU A 69 3.121 -2.117 -10.976 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.330 -2.226 -10.677 1.00 0.00 O ATOM 1035 OE2 GLU A 69 2.625 -1.247 -11.724 1.00 0.00 O ATOM 0 H GLU A 69 0.346 -1.842 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.063 -3.337 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.213 -1.851 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.635 -3.517 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.554 -4.147 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.201 -3.094 -10.883 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.790 -4.930 -7.461 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.023 -6.122 -6.662 1.00 0.00 C ATOM 1044 C GLU A 70 -0.400 -7.344 -7.341 1.00 0.00 C ATOM 1045 O GLU A 70 -0.600 -7.565 -8.535 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.518 -6.334 -6.415 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.269 -6.528 -7.733 1.00 0.00 C ATOM 1048 CD GLU A 70 -3.301 -8.005 -8.134 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.639 -8.824 -7.253 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -2.985 -8.281 -9.311 1.00 0.00 O ATOM 0 H GLU A 70 -1.625 -4.539 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.545 -5.985 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.665 -7.205 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.927 -5.476 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.287 -6.152 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.789 -5.945 -8.519 1.00 0.00 H new ATOM 1057 N ASP A 71 0.341 -8.106 -6.550 1.00 0.00 N ATOM 1058 CA ASP A 71 0.994 -9.301 -7.059 1.00 0.00 C ATOM 1059 C ASP A 71 0.721 -10.469 -6.110 1.00 0.00 C ATOM 1060 O ASP A 71 1.523 -11.398 -6.016 1.00 0.00 O ATOM 1061 CB ASP A 71 2.509 -9.106 -7.146 1.00 0.00 C ATOM 1062 CG ASP A 71 3.223 -10.027 -8.137 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.806 -11.202 -8.221 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.169 -9.535 -8.788 1.00 0.00 O ATOM 0 H ASP A 71 0.504 -7.919 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 71 0.599 -9.503 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.712 -8.072 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.938 -9.260 -6.156 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.413 -10.386 -5.431 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.802 -11.425 -4.492 1.00 0.00 C ATOM 1071 C GLY A 72 -1.726 -12.448 -5.156 1.00 0.00 C ATOM 1072 O GLY A 72 -2.489 -12.105 -6.059 1.00 0.00 O ATOM 0 H GLY A 72 -1.076 -9.615 -5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.087 -11.927 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.306 -10.976 -3.636 1.00 0.00 H new