USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 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 26 ASN : amide:sc= -4.65! C(o=-4.6!,f=-9.2!) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 16 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= -1.44! C(o=-1.4!,f=-6.2!) USER MOD Single : A 21 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 28 THR OG1 : rot -46:sc= -0.392 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0045) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 48 MET CE :methyl -165:sc= -0.0666 (180deg=-0.386) USER MOD Single : A 54 ASN : amide:sc= 0.237 X(o=0.24,f=-0.03) USER MOD Single : A 64 ASN : amide:sc= -0.0983 K(o=-0.098,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot -37:sc= 0.895 USER MOD Single : A 70 SER OG : rot 81:sc= 1.27 USER MOD Single : A 74 THR OG1 : rot -37:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.326 3.900 5.208 1.00 0.00 N ATOM 2 CA GLY A 10 10.278 4.881 5.459 1.00 0.00 C ATOM 3 C GLY A 10 9.378 5.107 4.256 1.00 0.00 C ATOM 4 O GLY A 10 8.538 4.260 3.949 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.672 4.550 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.735 5.828 5.747 1.00 0.00 H new ATOM 8 N PRO A 11 9.512 6.257 3.571 1.00 0.00 N ATOM 9 CA PRO A 11 8.763 6.538 2.345 1.00 0.00 C ATOM 10 C PRO A 11 9.177 5.615 1.204 1.00 0.00 C ATOM 11 O PRO A 11 10.354 5.291 1.041 1.00 0.00 O ATOM 12 CB PRO A 11 9.119 7.991 2.006 1.00 0.00 C ATOM 13 CG PRO A 11 9.772 8.544 3.229 1.00 0.00 C ATOM 14 CD PRO A 11 10.391 7.376 3.943 1.00 0.00 C ATOM 0 HA PRO A 11 7.693 6.380 2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.790 8.040 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.228 8.562 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.528 9.283 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.043 9.046 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.419 7.206 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.415 7.529 5.022 1.00 0.00 H new ATOM 22 N PHE A 12 8.208 5.207 0.410 1.00 0.00 N ATOM 23 CA PHE A 12 8.447 4.232 -0.652 1.00 0.00 C ATOM 24 C PHE A 12 8.297 4.831 -2.033 1.00 0.00 C ATOM 25 O PHE A 12 7.540 5.777 -2.249 1.00 0.00 O ATOM 26 CB PHE A 12 7.500 3.041 -0.504 1.00 0.00 C ATOM 27 CG PHE A 12 6.037 3.419 -0.491 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.419 3.801 0.689 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.281 3.387 -1.653 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.082 4.142 0.710 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.940 3.732 -1.632 1.00 0.00 C ATOM 32 CZ PHE A 12 3.343 4.109 -0.450 1.00 0.00 C ATOM 0 H PHE A 12 7.243 5.532 0.475 1.00 0.00 H new ATOM 0 HA PHE A 12 9.480 3.899 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.678 2.344 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.737 2.514 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.991 3.832 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.742 3.090 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.615 4.435 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.362 3.705 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.297 4.378 -0.433 1.00 0.00 H new ATOM 42 N THR A 13 9.029 4.250 -2.961 1.00 0.00 N ATOM 43 CA THR A 13 9.002 4.659 -4.342 1.00 0.00 C ATOM 44 C THR A 13 7.742 4.137 -5.039 1.00 0.00 C ATOM 45 O THR A 13 7.154 3.144 -4.606 1.00 0.00 O ATOM 46 CB THR A 13 10.249 4.117 -5.053 1.00 0.00 C ATOM 47 OG1 THR A 13 11.329 4.000 -4.116 1.00 0.00 O ATOM 48 CG2 THR A 13 10.662 5.045 -6.164 1.00 0.00 C ATOM 0 H THR A 13 9.664 3.474 -2.772 1.00 0.00 H new ATOM 0 HA THR A 13 8.992 5.748 -4.387 1.00 0.00 H new ATOM 0 HB THR A 13 10.013 3.138 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.123 3.652 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.548 4.648 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.850 5.132 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.887 6.029 -5.752 1.00 0.00 H new ATOM 56 N ARG A 14 7.338 4.805 -6.117 1.00 0.00 N ATOM 57 CA ARG A 14 6.134 4.428 -6.857 1.00 0.00 C ATOM 58 C ARG A 14 6.269 3.014 -7.417 1.00 0.00 C ATOM 59 O ARG A 14 5.359 2.195 -7.287 1.00 0.00 O ATOM 60 CB ARG A 14 5.889 5.424 -7.993 1.00 0.00 C ATOM 61 CG ARG A 14 4.446 5.496 -8.464 1.00 0.00 C ATOM 62 CD ARG A 14 4.264 6.597 -9.501 1.00 0.00 C ATOM 63 NE ARG A 14 2.871 6.742 -9.931 1.00 0.00 N ATOM 64 CZ ARG A 14 2.500 6.919 -11.200 1.00 0.00 C ATOM 65 NH1 ARG A 14 3.412 6.919 -12.165 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.220 7.089 -11.501 1.00 0.00 N ATOM 0 H ARG A 14 7.828 5.613 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 14 5.284 4.448 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.201 6.415 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.522 5.155 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.151 4.537 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.791 5.681 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.613 7.543 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.887 6.380 -10.369 1.00 0.00 H new ATOM 0 HE ARG A 14 2.142 6.705 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.397 6.784 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.128 7.054 -13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.517 7.085 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.938 7.224 -12.472 1.00 0.00 H new ATOM 80 N ARG A 15 7.416 2.734 -8.032 1.00 0.00 N ATOM 81 CA ARG A 15 7.706 1.404 -8.550 1.00 0.00 C ATOM 82 C ARG A 15 7.718 0.363 -7.434 1.00 0.00 C ATOM 83 O ARG A 15 7.280 -0.772 -7.628 1.00 0.00 O ATOM 84 CB ARG A 15 9.048 1.388 -9.280 1.00 0.00 C ATOM 85 CG ARG A 15 9.046 2.134 -10.602 1.00 0.00 C ATOM 86 CD ARG A 15 10.294 1.816 -11.408 1.00 0.00 C ATOM 87 NE ARG A 15 10.347 2.565 -12.662 1.00 0.00 N ATOM 88 CZ ARG A 15 9.984 2.068 -13.844 1.00 0.00 C ATOM 89 NH1 ARG A 15 9.471 0.846 -13.930 1.00 0.00 N ATOM 90 NH2 ARG A 15 10.120 2.799 -14.940 1.00 0.00 N ATOM 0 H ARG A 15 8.160 3.415 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 15 6.913 1.149 -9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.807 1.824 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.339 0.353 -9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.160 1.863 -11.175 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.991 3.207 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.177 2.045 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.323 0.748 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 15 10.683 3.528 -12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.353 0.282 -13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.195 0.471 -14.838 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.503 3.743 -14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.842 2.418 -15.845 1.00 0.00 H new ATOM 104 N GLN A 16 8.218 0.754 -6.266 1.00 0.00 N ATOM 105 CA GLN A 16 8.250 -0.143 -5.119 1.00 0.00 C ATOM 106 C GLN A 16 6.836 -0.537 -4.736 1.00 0.00 C ATOM 107 O GLN A 16 6.536 -1.715 -4.577 1.00 0.00 O ATOM 108 CB GLN A 16 8.945 0.504 -3.919 1.00 0.00 C ATOM 109 CG GLN A 16 10.405 0.853 -4.152 1.00 0.00 C ATOM 110 CD GLN A 16 11.238 -0.336 -4.586 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.931 -1.482 -4.262 1.00 0.00 O ATOM 112 NE2 GLN A 16 12.311 -0.064 -5.308 1.00 0.00 N ATOM 0 H GLN A 16 8.604 1.681 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 16 8.818 -1.029 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.406 1.412 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.877 -0.173 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.470 1.631 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.824 1.268 -3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.529 0.902 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.922 -0.820 -5.619 1.00 0.00 H new ATOM 121 N ALA A 17 5.969 0.463 -4.623 1.00 0.00 N ATOM 122 CA ALA A 17 4.564 0.240 -4.284 1.00 0.00 C ATOM 123 C ALA A 17 3.928 -0.770 -5.233 1.00 0.00 C ATOM 124 O ALA A 17 3.215 -1.684 -4.809 1.00 0.00 O ATOM 125 CB ALA A 17 3.801 1.552 -4.339 1.00 0.00 C ATOM 0 H ALA A 17 6.215 1.443 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 17 4.517 -0.162 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.756 1.376 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.234 2.255 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.865 1.968 -5.344 1.00 0.00 H new ATOM 131 N GLN A 18 4.214 -0.607 -6.516 1.00 0.00 N ATOM 132 CA GLN A 18 3.693 -1.488 -7.547 1.00 0.00 C ATOM 133 C GLN A 18 4.104 -2.938 -7.313 1.00 0.00 C ATOM 134 O GLN A 18 3.320 -3.862 -7.540 1.00 0.00 O ATOM 135 CB GLN A 18 4.191 -1.026 -8.913 1.00 0.00 C ATOM 136 CG GLN A 18 3.533 0.256 -9.408 1.00 0.00 C ATOM 137 CD GLN A 18 2.057 0.084 -9.727 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.361 -0.731 -9.123 1.00 0.00 O ATOM 139 NE2 GLN A 18 1.572 0.851 -10.687 1.00 0.00 N ATOM 0 H GLN A 18 4.813 0.139 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 18 2.605 -1.441 -7.510 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.269 -0.874 -8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.014 -1.818 -9.640 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.647 1.032 -8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.053 0.603 -10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.180 1.515 -11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.589 0.779 -10.950 1.00 0.00 H new ATOM 148 N ALA A 19 5.328 -3.130 -6.849 1.00 0.00 N ATOM 149 CA ALA A 19 5.860 -4.463 -6.615 1.00 0.00 C ATOM 150 C ALA A 19 5.224 -5.110 -5.389 1.00 0.00 C ATOM 151 O ALA A 19 5.108 -6.332 -5.312 1.00 0.00 O ATOM 152 CB ALA A 19 7.375 -4.412 -6.463 1.00 0.00 C ATOM 0 H ALA A 19 5.976 -2.374 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 19 5.613 -5.077 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.757 -5.418 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.819 -4.008 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.635 -3.774 -5.619 1.00 0.00 H new ATOM 158 N VAL A 20 4.740 -4.298 -4.460 1.00 0.00 N ATOM 159 CA VAL A 20 4.250 -4.831 -3.203 1.00 0.00 C ATOM 160 C VAL A 20 2.808 -5.192 -3.404 1.00 0.00 C ATOM 161 O VAL A 20 2.282 -6.128 -2.816 1.00 0.00 O ATOM 162 CB VAL A 20 4.354 -3.813 -2.050 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.124 -4.495 -0.713 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.699 -3.116 -2.060 1.00 0.00 C ATOM 0 H VAL A 20 4.677 -3.284 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 20 4.858 -5.692 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 20 3.579 -3.061 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.201 -3.760 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.131 -4.943 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.875 -5.272 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.746 -2.403 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.492 -3.855 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.828 -2.588 -3.005 1.00 0.00 H new ATOM 174 N THR A 21 2.201 -4.442 -4.289 1.00 0.00 N ATOM 175 CA THR A 21 0.821 -4.617 -4.640 1.00 0.00 C ATOM 176 C THR A 21 0.650 -5.775 -5.618 1.00 0.00 C ATOM 177 O THR A 21 -0.364 -6.470 -5.602 1.00 0.00 O ATOM 178 CB THR A 21 0.302 -3.321 -5.259 1.00 0.00 C ATOM 179 OG1 THR A 21 0.624 -2.207 -4.412 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.181 -3.398 -5.437 1.00 0.00 C ATOM 0 H THR A 21 2.661 -3.683 -4.791 1.00 0.00 H new ATOM 0 HA THR A 21 0.250 -4.854 -3.742 1.00 0.00 H new ATOM 0 HB THR A 21 0.776 -3.183 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.588 -2.037 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.543 -2.470 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.426 -4.232 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.656 -3.548 -4.468 1.00 0.00 H new ATOM 188 N THR A 22 1.643 -5.992 -6.472 1.00 0.00 N ATOM 189 CA THR A 22 1.610 -7.147 -7.346 1.00 0.00 C ATOM 190 C THR A 22 1.897 -8.404 -6.527 1.00 0.00 C ATOM 191 O THR A 22 1.517 -9.513 -6.905 1.00 0.00 O ATOM 192 CB THR A 22 2.598 -7.024 -8.535 1.00 0.00 C ATOM 193 OG1 THR A 22 2.285 -8.002 -9.535 1.00 0.00 O ATOM 194 CG2 THR A 22 4.046 -7.203 -8.096 1.00 0.00 C ATOM 0 H THR A 22 2.463 -5.394 -6.574 1.00 0.00 H new ATOM 0 HA THR A 22 0.614 -7.210 -7.784 1.00 0.00 H new ATOM 0 HB THR A 22 2.490 -6.019 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.912 -7.917 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.703 -7.109 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.301 -6.438 -7.362 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.172 -8.190 -7.651 1.00 0.00 H new ATOM 202 N THR A 23 2.568 -8.217 -5.393 1.00 0.00 N ATOM 203 CA THR A 23 2.748 -9.294 -4.442 1.00 0.00 C ATOM 204 C THR A 23 1.476 -9.489 -3.610 1.00 0.00 C ATOM 205 O THR A 23 0.900 -10.576 -3.601 1.00 0.00 O ATOM 206 CB THR A 23 3.949 -9.034 -3.516 1.00 0.00 C ATOM 207 OG1 THR A 23 5.111 -8.729 -4.300 1.00 0.00 O ATOM 208 CG2 THR A 23 4.234 -10.249 -2.647 1.00 0.00 C ATOM 0 H THR A 23 2.992 -7.331 -5.117 1.00 0.00 H new ATOM 0 HA THR A 23 2.949 -10.204 -5.007 1.00 0.00 H new ATOM 0 HB THR A 23 3.707 -8.189 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.170 -7.760 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.087 -10.042 -2.001 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.360 -10.471 -2.035 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.459 -11.106 -3.282 1.00 0.00 H new ATOM 216 N TYR A 24 1.027 -8.438 -2.926 1.00 0.00 N ATOM 217 CA TYR A 24 -0.175 -8.518 -2.132 1.00 0.00 C ATOM 218 C TYR A 24 -1.286 -7.733 -2.823 1.00 0.00 C ATOM 219 O TYR A 24 -1.362 -6.516 -2.711 1.00 0.00 O ATOM 220 CB TYR A 24 0.092 -7.979 -0.719 1.00 0.00 C ATOM 221 CG TYR A 24 1.311 -8.571 -0.053 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.227 -9.723 0.712 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.555 -7.971 -0.203 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.350 -10.266 1.305 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.681 -8.504 0.388 1.00 0.00 C ATOM 226 CZ TYR A 24 3.573 -9.651 1.140 1.00 0.00 C ATOM 227 OH TYR A 24 4.695 -10.192 1.721 1.00 0.00 O ATOM 0 H TYR A 24 1.484 -7.526 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.490 -9.557 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.209 -6.897 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.781 -8.176 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.269 -10.204 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.642 -7.071 -0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.271 -11.167 1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.641 -8.025 0.262 1.00 0.00 H new ATOM 0 HH TYR A 24 5.474 -9.638 1.507 1.00 0.00 H new ATOM 237 N SER A 25 -2.111 -8.443 -3.574 1.00 0.00 N ATOM 238 CA SER A 25 -3.217 -7.855 -4.322 1.00 0.00 C ATOM 239 C SER A 25 -4.289 -7.256 -3.409 1.00 0.00 C ATOM 240 O SER A 25 -5.248 -6.642 -3.889 1.00 0.00 O ATOM 241 CB SER A 25 -3.830 -8.921 -5.229 1.00 0.00 C ATOM 242 OG SER A 25 -3.946 -10.158 -4.547 1.00 0.00 O ATOM 0 H SER A 25 -2.034 -9.454 -3.685 1.00 0.00 H new ATOM 0 HA SER A 25 -2.819 -7.034 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.813 -8.594 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.212 -9.048 -6.118 1.00 0.00 H new ATOM 0 HG SER A 25 -4.342 -10.825 -5.145 1.00 0.00 H new ATOM 248 N ASN A 26 -4.133 -7.439 -2.102 1.00 0.00 N ATOM 249 CA ASN A 26 -5.018 -6.805 -1.138 1.00 0.00 C ATOM 250 C ASN A 26 -4.609 -5.348 -0.950 1.00 0.00 C ATOM 251 O ASN A 26 -5.371 -4.535 -0.430 1.00 0.00 O ATOM 252 CB ASN A 26 -5.009 -7.548 0.207 1.00 0.00 C ATOM 253 CG ASN A 26 -3.668 -7.498 0.912 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.617 -7.474 0.283 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.698 -7.498 2.232 1.00 0.00 N ATOM 0 H ASN A 26 -3.403 -8.020 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.036 -6.846 -1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.770 -7.116 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.285 -8.589 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.827 -7.478 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.592 -7.518 2.722 1.00 0.00 H new ATOM 262 N ILE A 27 -3.393 -5.031 -1.376 1.00 0.00 N ATOM 263 CA ILE A 27 -2.937 -3.654 -1.431 1.00 0.00 C ATOM 264 C ILE A 27 -3.501 -3.017 -2.696 1.00 0.00 C ATOM 265 O ILE A 27 -3.734 -3.714 -3.683 1.00 0.00 O ATOM 266 CB ILE A 27 -1.394 -3.546 -1.475 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.726 -4.611 -0.598 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.950 -2.149 -1.058 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.763 -4.406 -0.426 1.00 0.00 C ATOM 0 H ILE A 27 -2.704 -5.715 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.281 -3.147 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.077 -3.725 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.200 -4.611 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.901 -5.593 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.138 -2.087 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.378 -1.413 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.292 -1.946 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.168 -5.196 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.249 -4.435 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.945 -3.438 0.041 1.00 0.00 H new ATOM 281 N THR A 28 -3.733 -1.714 -2.681 1.00 0.00 N ATOM 282 CA THR A 28 -4.248 -1.039 -3.866 1.00 0.00 C ATOM 283 C THR A 28 -3.653 0.352 -4.002 1.00 0.00 C ATOM 284 O THR A 28 -3.722 1.160 -3.076 1.00 0.00 O ATOM 285 CB THR A 28 -5.793 -0.941 -3.862 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.273 -0.581 -2.559 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.437 -2.248 -4.303 1.00 0.00 C ATOM 0 H THR A 28 -3.576 -1.108 -1.875 1.00 0.00 H new ATOM 0 HA THR A 28 -3.950 -1.646 -4.721 1.00 0.00 H new ATOM 0 HB THR A 28 -6.071 -0.165 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.822 -1.127 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.522 -2.142 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.110 -2.492 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.141 -3.047 -3.623 1.00 0.00 H new ATOM 295 N LEU A 29 -3.046 0.620 -5.148 1.00 0.00 N ATOM 296 CA LEU A 29 -2.507 1.936 -5.419 1.00 0.00 C ATOM 297 C LEU A 29 -3.631 2.840 -5.896 1.00 0.00 C ATOM 298 O LEU A 29 -4.023 2.812 -7.063 1.00 0.00 O ATOM 299 CB LEU A 29 -1.376 1.862 -6.452 1.00 0.00 C ATOM 300 CG LEU A 29 -0.433 3.073 -6.486 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.859 2.706 -7.191 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.079 4.258 -7.185 1.00 0.00 C ATOM 0 H LEU A 29 -2.916 -0.056 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.079 2.349 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.784 0.968 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.818 1.739 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.219 3.359 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.522 3.571 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.345 1.889 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.640 2.394 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.385 5.099 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.328 3.984 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.988 4.542 -6.655 1.00 0.00 H new ATOM 314 N GLU A 30 -4.149 3.624 -4.972 1.00 0.00 N ATOM 315 CA GLU A 30 -5.306 4.462 -5.226 1.00 0.00 C ATOM 316 C GLU A 30 -4.936 5.921 -5.018 1.00 0.00 C ATOM 317 O GLU A 30 -3.852 6.221 -4.504 1.00 0.00 O ATOM 318 CB GLU A 30 -6.450 4.074 -4.281 1.00 0.00 C ATOM 319 CG GLU A 30 -6.859 2.609 -4.368 1.00 0.00 C ATOM 320 CD GLU A 30 -7.705 2.294 -5.585 1.00 0.00 C ATOM 321 OE1 GLU A 30 -7.179 2.326 -6.718 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.906 2.001 -5.409 1.00 0.00 O ATOM 0 H GLU A 30 -3.781 3.699 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.633 4.318 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.152 4.297 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.317 4.696 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.963 1.989 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.414 2.340 -3.469 1.00 0.00 H new ATOM 329 N ASP A 31 -5.831 6.821 -5.425 1.00 0.00 N ATOM 330 CA ASP A 31 -5.640 8.260 -5.221 1.00 0.00 C ATOM 331 C ASP A 31 -4.396 8.733 -5.971 1.00 0.00 C ATOM 332 O ASP A 31 -3.778 9.735 -5.615 1.00 0.00 O ATOM 333 CB ASP A 31 -5.510 8.551 -3.720 1.00 0.00 C ATOM 334 CG ASP A 31 -6.063 9.902 -3.325 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.205 10.218 -3.722 1.00 0.00 O ATOM 336 OD2 ASP A 31 -5.384 10.630 -2.574 1.00 0.00 O ATOM 0 H ASP A 31 -6.700 6.579 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.502 8.801 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.031 7.775 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.459 8.499 -3.436 1.00 0.00 H new ATOM 341 N ASP A 32 -4.059 8.000 -7.031 1.00 0.00 N ATOM 342 CA ASP A 32 -2.827 8.215 -7.783 1.00 0.00 C ATOM 343 C ASP A 32 -2.840 9.534 -8.540 1.00 0.00 C ATOM 344 O ASP A 32 -3.699 9.775 -9.390 1.00 0.00 O ATOM 345 CB ASP A 32 -2.596 7.057 -8.757 1.00 0.00 C ATOM 346 CG ASP A 32 -1.460 7.323 -9.726 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.288 7.339 -9.296 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.734 7.509 -10.929 1.00 0.00 O ATOM 0 H ASP A 32 -4.635 7.239 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.010 8.258 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.381 6.150 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.512 6.873 -9.319 1.00 0.00 H new ATOM 353 N GLN A 33 -1.882 10.382 -8.211 1.00 0.00 N ATOM 354 CA GLN A 33 -1.708 11.661 -8.871 1.00 0.00 C ATOM 355 C GLN A 33 -0.221 12.006 -8.926 1.00 0.00 C ATOM 356 O GLN A 33 0.208 13.072 -8.477 1.00 0.00 O ATOM 357 CB GLN A 33 -2.494 12.743 -8.122 1.00 0.00 C ATOM 358 CG GLN A 33 -2.610 14.059 -8.878 1.00 0.00 C ATOM 359 CD GLN A 33 -3.534 15.048 -8.194 1.00 0.00 C ATOM 360 OE1 GLN A 33 -3.650 14.945 -6.879 1.00 0.00 O flip ATOM 361 NE2 GLN A 33 -4.151 15.889 -8.848 1.00 0.00 N flip ATOM 0 H GLN A 33 -1.200 10.201 -7.475 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.090 11.605 -9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.495 12.369 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.012 12.929 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.620 14.503 -8.979 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.976 13.863 -9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.033 15.935 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.780 16.540 -8.378 1.00 0.00 H new ATOM 370 N GLY A 34 0.571 11.076 -9.442 1.00 0.00 N ATOM 371 CA GLY A 34 1.992 11.315 -9.604 1.00 0.00 C ATOM 372 C GLY A 34 2.768 11.075 -8.327 1.00 0.00 C ATOM 373 O GLY A 34 3.050 9.932 -7.969 1.00 0.00 O ATOM 0 H GLY A 34 0.254 10.158 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.380 10.665 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.149 12.342 -9.934 1.00 0.00 H new ATOM 377 N SER A 35 3.120 12.155 -7.638 1.00 0.00 N ATOM 378 CA SER A 35 3.850 12.052 -6.380 1.00 0.00 C ATOM 379 C SER A 35 2.879 11.998 -5.206 1.00 0.00 C ATOM 380 O SER A 35 3.279 11.859 -4.052 1.00 0.00 O ATOM 381 CB SER A 35 4.805 13.234 -6.223 1.00 0.00 C ATOM 382 OG SER A 35 5.626 13.375 -7.374 1.00 0.00 O ATOM 0 H SER A 35 2.912 13.110 -7.929 1.00 0.00 H new ATOM 0 HA SER A 35 4.433 11.131 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.235 14.149 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.429 13.089 -5.341 1.00 0.00 H new ATOM 0 HG SER A 35 6.229 14.138 -7.254 1.00 0.00 H new ATOM 388 N HIS A 36 1.594 12.114 -5.510 1.00 0.00 N ATOM 389 CA HIS A 36 0.563 12.020 -4.492 1.00 0.00 C ATOM 390 C HIS A 36 -0.307 10.807 -4.755 1.00 0.00 C ATOM 391 O HIS A 36 -1.072 10.790 -5.707 1.00 0.00 O ATOM 392 CB HIS A 36 -0.299 13.285 -4.456 1.00 0.00 C ATOM 393 CG HIS A 36 0.436 14.504 -3.993 1.00 0.00 C ATOM 394 ND1 HIS A 36 0.742 15.560 -4.822 1.00 0.00 N ATOM 395 CD2 HIS A 36 0.916 14.835 -2.773 1.00 0.00 C ATOM 396 CE1 HIS A 36 1.380 16.485 -4.131 1.00 0.00 C ATOM 397 NE2 HIS A 36 1.498 16.071 -2.886 1.00 0.00 N ATOM 0 H HIS A 36 1.243 12.273 -6.454 1.00 0.00 H new ATOM 0 HA HIS A 36 1.049 11.917 -3.522 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.698 13.470 -5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.151 13.114 -3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.853 14.237 -1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.744 17.424 -4.521 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.949 16.586 -2.130 1.00 0.00 H new ATOM 406 N PHE A 37 -0.160 9.791 -3.925 1.00 0.00 N ATOM 407 CA PHE A 37 -0.951 8.576 -4.047 1.00 0.00 C ATOM 408 C PHE A 37 -0.923 7.803 -2.739 1.00 0.00 C ATOM 409 O PHE A 37 -0.045 8.022 -1.899 1.00 0.00 O ATOM 410 CB PHE A 37 -0.445 7.696 -5.202 1.00 0.00 C ATOM 411 CG PHE A 37 0.972 7.210 -5.050 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.036 7.983 -5.486 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.238 5.971 -4.486 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.337 7.535 -5.358 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.538 5.518 -4.355 1.00 0.00 C ATOM 416 CZ PHE A 37 3.587 6.301 -4.791 1.00 0.00 C ATOM 0 H PHE A 37 0.505 9.782 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.979 8.860 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.103 6.832 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.523 8.260 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.846 8.948 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.420 5.353 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.157 8.149 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.732 4.552 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.603 5.949 -4.689 1.00 0.00 H new ATOM 426 N ARG A 38 -1.884 6.913 -2.569 1.00 0.00 N ATOM 427 CA ARG A 38 -1.994 6.137 -1.347 1.00 0.00 C ATOM 428 C ARG A 38 -2.234 4.671 -1.635 1.00 0.00 C ATOM 429 O ARG A 38 -3.014 4.313 -2.516 1.00 0.00 O ATOM 430 CB ARG A 38 -3.127 6.676 -0.470 1.00 0.00 C ATOM 431 CG ARG A 38 -2.739 7.889 0.353 1.00 0.00 C ATOM 432 CD ARG A 38 -3.921 8.462 1.113 1.00 0.00 C ATOM 433 NE ARG A 38 -4.786 9.273 0.258 1.00 0.00 N ATOM 434 CZ ARG A 38 -5.812 9.987 0.705 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.143 9.958 1.992 1.00 0.00 N ATOM 436 NH2 ARG A 38 -6.500 10.748 -0.134 1.00 0.00 N ATOM 0 H ARG A 38 -2.602 6.709 -3.264 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.046 6.232 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.974 6.935 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.462 5.885 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.954 7.613 1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.324 8.654 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.502 7.648 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.558 9.070 1.941 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.589 9.291 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.607 9.384 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.933 10.509 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.241 10.784 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.289 11.298 0.206 1.00 0.00 H new ATOM 450 N LEU A 39 -1.554 3.829 -0.884 1.00 0.00 N ATOM 451 CA LEU A 39 -1.779 2.403 -0.958 1.00 0.00 C ATOM 452 C LEU A 39 -2.805 2.004 0.080 1.00 0.00 C ATOM 453 O LEU A 39 -2.578 2.136 1.285 1.00 0.00 O ATOM 454 CB LEU A 39 -0.486 1.628 -0.737 1.00 0.00 C ATOM 455 CG LEU A 39 0.598 1.872 -1.770 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.883 1.203 -1.330 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.171 1.348 -3.126 1.00 0.00 C ATOM 0 H LEU A 39 -0.839 4.111 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.148 2.161 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.092 1.883 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.718 0.563 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 39 0.765 2.946 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.659 1.381 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.198 1.616 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.718 0.131 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.962 1.533 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.018 0.277 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.739 1.857 -3.443 1.00 0.00 H new ATOM 469 N VAL A 40 -3.940 1.554 -0.397 1.00 0.00 N ATOM 470 CA VAL A 40 -5.011 1.128 0.477 1.00 0.00 C ATOM 471 C VAL A 40 -4.937 -0.375 0.694 1.00 0.00 C ATOM 472 O VAL A 40 -5.152 -1.159 -0.228 1.00 0.00 O ATOM 473 CB VAL A 40 -6.394 1.504 -0.094 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.492 1.181 0.908 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.430 2.975 -0.484 1.00 0.00 C ATOM 0 H VAL A 40 -4.149 1.472 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.888 1.644 1.429 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.569 0.911 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.460 1.453 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.480 0.114 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.324 1.744 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.413 3.221 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.232 3.589 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.671 3.169 -1.241 1.00 0.00 H new ATOM 485 N VAL A 41 -4.609 -0.768 1.908 1.00 0.00 N ATOM 486 CA VAL A 41 -4.542 -2.169 2.260 1.00 0.00 C ATOM 487 C VAL A 41 -5.929 -2.658 2.653 1.00 0.00 C ATOM 488 O VAL A 41 -6.526 -2.166 3.614 1.00 0.00 O ATOM 489 CB VAL A 41 -3.572 -2.424 3.425 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.438 -3.912 3.671 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.211 -1.799 3.158 1.00 0.00 C ATOM 0 H VAL A 41 -4.383 -0.130 2.672 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.174 -2.712 1.389 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.980 -1.953 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.749 -4.083 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.414 -4.329 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.055 -4.396 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.548 -1.997 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.785 -2.229 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.324 -0.722 3.030 1.00 0.00 H new ATOM 501 N ARG A 42 -6.445 -3.605 1.897 1.00 0.00 N ATOM 502 CA ARG A 42 -7.779 -4.122 2.127 1.00 0.00 C ATOM 503 C ARG A 42 -7.708 -5.551 2.649 1.00 0.00 C ATOM 504 O ARG A 42 -6.683 -6.221 2.519 1.00 0.00 O ATOM 505 CB ARG A 42 -8.595 -4.044 0.832 1.00 0.00 C ATOM 506 CG ARG A 42 -8.565 -2.654 0.206 1.00 0.00 C ATOM 507 CD ARG A 42 -9.165 -2.631 -1.190 1.00 0.00 C ATOM 508 NE ARG A 42 -10.599 -2.907 -1.189 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.365 -2.851 -2.278 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.856 -2.431 -3.430 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.647 -3.180 -2.201 1.00 0.00 N ATOM 0 H ARG A 42 -5.957 -4.035 1.112 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.277 -3.515 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.206 -4.769 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.628 -4.323 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.112 -1.960 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.535 -2.302 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.987 -1.655 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.657 -3.368 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.040 -3.157 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.877 -2.150 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.444 -2.389 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.045 -3.475 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.235 -3.138 -3.033 1.00 0.00 H new ATOM 525 N ASP A 43 -8.794 -6.000 3.249 1.00 0.00 N ATOM 526 CA ASP A 43 -8.863 -7.330 3.843 1.00 0.00 C ATOM 527 C ASP A 43 -9.418 -8.320 2.819 1.00 0.00 C ATOM 528 O ASP A 43 -9.765 -7.928 1.706 1.00 0.00 O ATOM 529 CB ASP A 43 -9.720 -7.269 5.128 1.00 0.00 C ATOM 530 CG ASP A 43 -10.178 -8.618 5.650 1.00 0.00 C ATOM 531 OD1 ASP A 43 -9.345 -9.376 6.186 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.375 -8.929 5.508 1.00 0.00 O ATOM 0 H ASP A 43 -9.653 -5.458 3.341 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.869 -7.677 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.146 -6.769 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.598 -6.653 4.934 1.00 0.00 H new ATOM 537 N THR A 44 -9.501 -9.586 3.194 1.00 0.00 N ATOM 538 CA THR A 44 -9.962 -10.640 2.301 1.00 0.00 C ATOM 539 C THR A 44 -11.398 -10.404 1.836 1.00 0.00 C ATOM 540 O THR A 44 -11.818 -10.922 0.804 1.00 0.00 O ATOM 541 CB THR A 44 -9.866 -12.008 2.998 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.334 -11.896 4.351 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.435 -12.522 2.990 1.00 0.00 C ATOM 0 H THR A 44 -9.251 -9.914 4.127 1.00 0.00 H new ATOM 0 HA THR A 44 -9.316 -10.627 1.423 1.00 0.00 H new ATOM 0 HB THR A 44 -10.489 -12.717 2.453 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.273 -12.769 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.393 -13.490 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.092 -12.629 1.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.792 -11.816 3.515 1.00 0.00 H new ATOM 551 N GLU A 45 -12.142 -9.620 2.608 1.00 0.00 N ATOM 552 CA GLU A 45 -13.514 -9.284 2.258 1.00 0.00 C ATOM 553 C GLU A 45 -13.538 -8.024 1.385 1.00 0.00 C ATOM 554 O GLU A 45 -14.565 -7.657 0.817 1.00 0.00 O ATOM 555 CB GLU A 45 -14.331 -9.080 3.536 1.00 0.00 C ATOM 556 CG GLU A 45 -15.835 -9.041 3.312 1.00 0.00 C ATOM 557 CD GLU A 45 -16.380 -10.361 2.793 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.537 -11.302 3.597 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.655 -10.468 1.580 1.00 0.00 O ATOM 0 H GLU A 45 -11.816 -9.205 3.481 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.957 -10.100 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.099 -9.884 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.020 -8.148 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.332 -8.789 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.073 -8.249 2.602 1.00 0.00 H new ATOM 566 N GLY A 46 -12.385 -7.372 1.280 1.00 0.00 N ATOM 567 CA GLY A 46 -12.260 -6.190 0.447 1.00 0.00 C ATOM 568 C GLY A 46 -12.474 -4.901 1.213 1.00 0.00 C ATOM 569 O GLY A 46 -12.474 -3.819 0.630 1.00 0.00 O ATOM 0 H GLY A 46 -11.528 -7.644 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.269 -6.176 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.983 -6.247 -0.366 1.00 0.00 H new ATOM 573 N ARG A 47 -12.645 -5.014 2.519 1.00 0.00 N ATOM 574 CA ARG A 47 -12.815 -3.851 3.374 1.00 0.00 C ATOM 575 C ARG A 47 -11.484 -3.123 3.550 1.00 0.00 C ATOM 576 O ARG A 47 -10.439 -3.764 3.661 1.00 0.00 O ATOM 577 CB ARG A 47 -13.363 -4.289 4.732 1.00 0.00 C ATOM 578 CG ARG A 47 -12.581 -5.432 5.357 1.00 0.00 C ATOM 579 CD ARG A 47 -13.106 -5.804 6.734 1.00 0.00 C ATOM 580 NE ARG A 47 -12.370 -6.938 7.296 1.00 0.00 N ATOM 581 CZ ARG A 47 -11.873 -6.973 8.532 1.00 0.00 C ATOM 582 NH1 ARG A 47 -12.050 -5.946 9.355 1.00 0.00 N ATOM 583 NH2 ARG A 47 -11.197 -8.040 8.945 1.00 0.00 N ATOM 0 H ARG A 47 -12.670 -5.906 3.013 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.523 -3.166 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.353 -3.437 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.404 -4.591 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.631 -6.303 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.531 -5.151 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.022 -4.946 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.165 -6.053 6.667 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.228 -7.755 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.568 -5.125 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.668 -5.978 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.059 -8.831 8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.816 -8.068 9.891 1.00 0.00 H new ATOM 597 N MET A 48 -11.518 -1.795 3.554 1.00 0.00 N ATOM 598 CA MET A 48 -10.304 -1.008 3.756 1.00 0.00 C ATOM 599 C MET A 48 -9.851 -1.111 5.204 1.00 0.00 C ATOM 600 O MET A 48 -10.601 -0.782 6.124 1.00 0.00 O ATOM 601 CB MET A 48 -10.520 0.464 3.393 1.00 0.00 C ATOM 602 CG MET A 48 -10.918 0.699 1.945 1.00 0.00 C ATOM 603 SD MET A 48 -10.902 2.449 1.500 1.00 0.00 S ATOM 604 CE MET A 48 -12.120 3.103 2.642 1.00 0.00 C ATOM 0 H MET A 48 -12.365 -1.243 3.421 1.00 0.00 H new ATOM 0 HA MET A 48 -9.535 -1.413 3.098 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.293 0.876 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.603 1.015 3.600 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.237 0.155 1.291 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.915 0.293 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 48 -12.419 4.101 2.323 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.993 2.450 2.656 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.690 3.156 3.642 1.00 0.00 H new ATOM 614 N VAL A 49 -8.630 -1.574 5.405 1.00 0.00 N ATOM 615 CA VAL A 49 -8.093 -1.740 6.744 1.00 0.00 C ATOM 616 C VAL A 49 -7.043 -0.672 7.038 1.00 0.00 C ATOM 617 O VAL A 49 -6.878 -0.246 8.180 1.00 0.00 O ATOM 618 CB VAL A 49 -7.472 -3.144 6.924 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.105 -3.396 8.376 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.425 -4.220 6.426 1.00 0.00 C ATOM 0 H VAL A 49 -7.991 -1.842 4.657 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.919 -1.632 7.447 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.559 -3.185 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.670 -4.391 8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.381 -2.650 8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.000 -3.329 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.969 -5.201 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.356 -4.171 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.634 -4.060 5.368 1.00 0.00 H new ATOM 630 N TRP A 50 -6.358 -0.220 5.995 1.00 0.00 N ATOM 631 CA TRP A 50 -5.266 0.732 6.154 1.00 0.00 C ATOM 632 C TRP A 50 -5.017 1.487 4.848 1.00 0.00 C ATOM 633 O TRP A 50 -5.299 0.972 3.771 1.00 0.00 O ATOM 634 CB TRP A 50 -3.998 -0.018 6.589 1.00 0.00 C ATOM 635 CG TRP A 50 -2.794 0.855 6.775 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.762 1.022 5.897 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.491 1.670 7.911 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.840 1.897 6.416 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.264 2.308 7.651 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.139 1.927 9.122 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.673 3.182 8.558 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.552 2.795 10.020 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.330 3.414 9.733 1.00 0.00 C ATOM 0 H TRP A 50 -6.539 -0.497 5.030 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.535 1.460 6.919 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.202 -0.539 7.525 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.768 -0.780 5.844 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.683 0.537 4.935 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.021 2.193 5.956 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.083 1.455 9.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.271 3.660 8.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.044 3.000 10.960 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.897 4.090 10.456 1.00 0.00 H new ATOM 654 N ARG A 51 -4.519 2.712 4.952 1.00 0.00 N ATOM 655 CA ARG A 51 -4.101 3.475 3.781 1.00 0.00 C ATOM 656 C ARG A 51 -3.009 4.468 4.167 1.00 0.00 C ATOM 657 O ARG A 51 -3.125 5.170 5.174 1.00 0.00 O ATOM 658 CB ARG A 51 -5.283 4.207 3.125 1.00 0.00 C ATOM 659 CG ARG A 51 -6.049 5.132 4.061 1.00 0.00 C ATOM 660 CD ARG A 51 -6.974 6.066 3.294 1.00 0.00 C ATOM 661 NE ARG A 51 -7.938 5.345 2.463 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.533 5.870 1.390 1.00 0.00 C ATOM 663 NH1 ARG A 51 -8.280 7.124 1.032 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.390 5.146 0.684 1.00 0.00 N ATOM 0 H ARG A 51 -4.394 3.201 5.838 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.705 2.771 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.911 4.790 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.973 3.467 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.633 4.537 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.344 5.720 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.511 6.700 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.377 6.725 2.663 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.169 4.385 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.629 7.689 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.737 7.522 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.596 4.186 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.844 5.549 -0.136 1.00 0.00 H new ATOM 678 N ALA A 52 -1.944 4.513 3.380 1.00 0.00 N ATOM 679 CA ALA A 52 -0.821 5.396 3.669 1.00 0.00 C ATOM 680 C ALA A 52 -0.370 6.135 2.417 1.00 0.00 C ATOM 681 O ALA A 52 -0.507 5.618 1.306 1.00 0.00 O ATOM 682 CB ALA A 52 0.333 4.597 4.250 1.00 0.00 C ATOM 0 H ALA A 52 -1.833 3.950 2.537 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.148 6.136 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.167 5.265 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.012 4.112 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.649 3.839 3.533 1.00 0.00 H new ATOM 688 N TRP A 53 0.155 7.345 2.601 1.00 0.00 N ATOM 689 CA TRP A 53 0.670 8.137 1.493 1.00 0.00 C ATOM 690 C TRP A 53 2.014 7.624 1.022 1.00 0.00 C ATOM 691 O TRP A 53 2.489 6.573 1.439 1.00 0.00 O ATOM 692 CB TRP A 53 0.849 9.594 1.905 1.00 0.00 C ATOM 693 CG TRP A 53 -0.400 10.367 1.967 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.051 10.684 3.085 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.131 10.936 0.878 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.159 11.424 2.794 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.236 11.595 1.437 1.00 0.00 C ATOM 698 CE3 TRP A 53 -0.964 10.953 -0.510 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.173 12.269 0.660 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -1.895 11.621 -1.283 1.00 0.00 C ATOM 701 CH2 TRP A 53 -2.988 12.272 -0.696 1.00 0.00 C ATOM 0 H TRP A 53 0.234 7.797 3.512 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.059 8.056 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.330 9.626 2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.526 10.077 1.201 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.745 10.396 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.823 11.791 3.476 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.124 10.454 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.016 12.772 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.778 11.641 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.699 12.786 -1.326 1.00 0.00 H new ATOM 712 N ASN A 54 2.623 8.414 0.167 1.00 0.00 N ATOM 713 CA ASN A 54 3.942 8.118 -0.373 1.00 0.00 C ATOM 714 C ASN A 54 5.013 8.942 0.335 1.00 0.00 C ATOM 715 O ASN A 54 6.107 8.453 0.615 1.00 0.00 O ATOM 716 CB ASN A 54 3.953 8.393 -1.884 1.00 0.00 C ATOM 717 CG ASN A 54 5.254 9.010 -2.376 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.386 10.229 -2.445 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.222 8.176 -2.717 1.00 0.00 N ATOM 0 H ASN A 54 2.220 9.285 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 54 4.167 7.065 -0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.778 7.459 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.127 9.060 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.115 8.540 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.076 7.169 -2.646 1.00 0.00 H new ATOM 726 N PHE A 55 4.674 10.185 0.650 1.00 0.00 N ATOM 727 CA PHE A 55 5.640 11.125 1.205 1.00 0.00 C ATOM 728 C PHE A 55 5.716 11.037 2.725 1.00 0.00 C ATOM 729 O PHE A 55 6.438 11.811 3.359 1.00 0.00 O ATOM 730 CB PHE A 55 5.305 12.556 0.767 1.00 0.00 C ATOM 731 CG PHE A 55 3.908 12.999 1.108 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.616 13.528 2.355 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.889 12.894 0.175 1.00 0.00 C ATOM 734 CE1 PHE A 55 2.336 13.940 2.666 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.607 13.305 0.480 1.00 0.00 C ATOM 736 CZ PHE A 55 1.329 13.828 1.729 1.00 0.00 C ATOM 0 H PHE A 55 3.736 10.567 0.531 1.00 0.00 H new ATOM 0 HA PHE A 55 6.621 10.853 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.014 13.241 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.445 12.635 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.400 13.619 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.100 12.486 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.123 14.350 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.822 13.218 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.326 14.148 1.971 1.00 0.00 H new ATOM 746 N GLU A 56 4.980 10.100 3.311 1.00 0.00 N ATOM 747 CA GLU A 56 5.021 9.914 4.750 1.00 0.00 C ATOM 748 C GLU A 56 6.322 9.231 5.155 1.00 0.00 C ATOM 749 O GLU A 56 6.682 8.191 4.600 1.00 0.00 O ATOM 750 CB GLU A 56 3.818 9.109 5.242 1.00 0.00 C ATOM 751 CG GLU A 56 2.488 9.802 5.007 1.00 0.00 C ATOM 752 CD GLU A 56 1.354 9.134 5.751 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.204 9.403 6.960 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.618 8.329 5.137 1.00 0.00 O ATOM 0 H GLU A 56 4.355 9.465 2.815 1.00 0.00 H new ATOM 0 HA GLU A 56 4.976 10.897 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.808 8.142 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.933 8.913 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.563 10.843 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.267 9.806 3.940 1.00 0.00 H new ATOM 761 N PRO A 57 7.038 9.810 6.134 1.00 0.00 N ATOM 762 CA PRO A 57 8.364 9.326 6.562 1.00 0.00 C ATOM 763 C PRO A 57 8.358 7.881 7.062 1.00 0.00 C ATOM 764 O PRO A 57 9.411 7.260 7.202 1.00 0.00 O ATOM 765 CB PRO A 57 8.740 10.275 7.707 1.00 0.00 C ATOM 766 CG PRO A 57 7.907 11.490 7.493 1.00 0.00 C ATOM 767 CD PRO A 57 6.619 11.000 6.900 1.00 0.00 C ATOM 0 HA PRO A 57 9.065 9.324 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.535 9.823 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.803 10.517 7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.731 12.014 8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.404 12.192 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.890 10.748 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.158 11.751 6.259 1.00 0.00 H new ATOM 775 N ASP A 58 7.177 7.349 7.332 1.00 0.00 N ATOM 776 CA ASP A 58 7.051 5.994 7.857 1.00 0.00 C ATOM 777 C ASP A 58 5.978 5.209 7.119 1.00 0.00 C ATOM 778 O ASP A 58 5.445 4.235 7.652 1.00 0.00 O ATOM 779 CB ASP A 58 6.728 6.024 9.356 1.00 0.00 C ATOM 780 CG ASP A 58 5.612 6.992 9.710 1.00 0.00 C ATOM 781 OD1 ASP A 58 4.466 6.790 9.262 1.00 0.00 O ATOM 782 OD2 ASP A 58 5.880 7.967 10.454 1.00 0.00 O ATOM 0 H ASP A 58 6.290 7.833 7.197 1.00 0.00 H new ATOM 0 HA ASP A 58 8.008 5.495 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.447 5.022 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.626 6.298 9.909 1.00 0.00 H new ATOM 787 N ALA A 59 5.702 5.600 5.877 1.00 0.00 N ATOM 788 CA ALA A 59 4.618 4.997 5.111 1.00 0.00 C ATOM 789 C ALA A 59 4.820 3.493 4.959 1.00 0.00 C ATOM 790 O ALA A 59 3.910 2.700 5.216 1.00 0.00 O ATOM 791 CB ALA A 59 4.511 5.657 3.749 1.00 0.00 C ATOM 0 H ALA A 59 6.214 6.330 5.382 1.00 0.00 H new ATOM 0 HA ALA A 59 3.688 5.156 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.698 5.199 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.310 6.721 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.447 5.526 3.207 1.00 0.00 H new ATOM 797 N GLY A 60 6.029 3.109 4.569 1.00 0.00 N ATOM 798 CA GLY A 60 6.335 1.710 4.372 1.00 0.00 C ATOM 799 C GLY A 60 6.273 0.907 5.653 1.00 0.00 C ATOM 800 O GLY A 60 5.962 -0.281 5.627 1.00 0.00 O ATOM 0 H GLY A 60 6.804 3.746 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.635 1.288 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.332 1.619 3.940 1.00 0.00 H new ATOM 804 N GLU A 61 6.539 1.559 6.778 1.00 0.00 N ATOM 805 CA GLU A 61 6.557 0.873 8.062 1.00 0.00 C ATOM 806 C GLU A 61 5.154 0.419 8.445 1.00 0.00 C ATOM 807 O GLU A 61 4.967 -0.695 8.932 1.00 0.00 O ATOM 808 CB GLU A 61 7.142 1.776 9.146 1.00 0.00 C ATOM 809 CG GLU A 61 7.195 1.121 10.515 1.00 0.00 C ATOM 810 CD GLU A 61 7.887 1.982 11.549 1.00 0.00 C ATOM 811 OE1 GLU A 61 7.487 3.155 11.718 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.823 1.484 12.210 1.00 0.00 O ATOM 0 H GLU A 61 6.744 2.557 6.827 1.00 0.00 H new ATOM 0 HA GLU A 61 7.192 -0.009 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.149 2.074 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.546 2.686 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.180 0.905 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.715 0.166 10.436 1.00 0.00 H new ATOM 819 N GLY A 62 4.167 1.273 8.193 1.00 0.00 N ATOM 820 CA GLY A 62 2.792 0.918 8.490 1.00 0.00 C ATOM 821 C GLY A 62 2.310 -0.207 7.599 1.00 0.00 C ATOM 822 O GLY A 62 1.611 -1.124 8.044 1.00 0.00 O ATOM 0 H GLY A 62 4.294 2.201 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.709 0.618 9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.152 1.790 8.357 1.00 0.00 H new ATOM 826 N LEU A 63 2.707 -0.142 6.338 1.00 0.00 N ATOM 827 CA LEU A 63 2.364 -1.173 5.372 1.00 0.00 C ATOM 828 C LEU A 63 2.992 -2.511 5.761 1.00 0.00 C ATOM 829 O LEU A 63 2.305 -3.531 5.805 1.00 0.00 O ATOM 830 CB LEU A 63 2.821 -0.746 3.977 1.00 0.00 C ATOM 831 CG LEU A 63 2.218 0.573 3.487 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.883 1.021 2.201 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.717 0.434 3.286 1.00 0.00 C ATOM 0 H LEU A 63 3.270 0.619 5.958 1.00 0.00 H new ATOM 0 HA LEU A 63 1.282 -1.302 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.907 -0.657 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.565 -1.533 3.268 1.00 0.00 H new ATOM 0 HG LEU A 63 2.396 1.332 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.440 1.960 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.950 1.164 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.739 0.261 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.307 1.382 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.519 -0.341 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.247 0.161 4.231 1.00 0.00 H new ATOM 845 N ASN A 64 4.289 -2.495 6.068 1.00 0.00 N ATOM 846 CA ASN A 64 4.995 -3.709 6.484 1.00 0.00 C ATOM 847 C ASN A 64 4.393 -4.268 7.769 1.00 0.00 C ATOM 848 O ASN A 64 4.302 -5.484 7.945 1.00 0.00 O ATOM 849 CB ASN A 64 6.489 -3.438 6.697 1.00 0.00 C ATOM 850 CG ASN A 64 7.234 -3.132 5.410 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.842 -3.564 4.328 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.331 -2.400 5.526 1.00 0.00 N ATOM 0 H ASN A 64 4.871 -1.658 6.037 1.00 0.00 H new ATOM 0 HA ASN A 64 4.883 -4.441 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.605 -2.599 7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.944 -4.306 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.884 -2.176 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.623 -2.060 6.442 1.00 0.00 H new ATOM 859 N ARG A 65 3.981 -3.366 8.657 1.00 0.00 N ATOM 860 CA ARG A 65 3.324 -3.739 9.905 1.00 0.00 C ATOM 861 C ARG A 65 2.128 -4.647 9.629 1.00 0.00 C ATOM 862 O ARG A 65 1.919 -5.641 10.324 1.00 0.00 O ATOM 863 CB ARG A 65 2.895 -2.474 10.659 1.00 0.00 C ATOM 864 CG ARG A 65 2.050 -2.726 11.897 1.00 0.00 C ATOM 865 CD ARG A 65 1.871 -1.446 12.698 1.00 0.00 C ATOM 866 NE ARG A 65 0.881 -1.584 13.767 1.00 0.00 N ATOM 867 CZ ARG A 65 1.164 -1.460 15.064 1.00 0.00 C ATOM 868 NH1 ARG A 65 2.425 -1.333 15.466 1.00 0.00 N ATOM 869 NH2 ARG A 65 0.190 -1.487 15.967 1.00 0.00 N ATOM 0 H ARG A 65 4.093 -2.360 8.531 1.00 0.00 H new ATOM 0 HA ARG A 65 4.025 -4.295 10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.788 -1.922 10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.334 -1.834 9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.075 -3.116 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.524 -3.486 12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.829 -1.155 13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.567 -0.642 12.028 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.083 -1.787 13.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.181 -1.330 14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.637 -1.238 16.459 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.779 -1.603 15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.411 -1.392 16.958 1.00 0.00 H new ATOM 883 N TYR A 66 1.358 -4.313 8.601 1.00 0.00 N ATOM 884 CA TYR A 66 0.252 -5.164 8.184 1.00 0.00 C ATOM 885 C TYR A 66 0.780 -6.427 7.499 1.00 0.00 C ATOM 886 O TYR A 66 0.398 -7.541 7.854 1.00 0.00 O ATOM 887 CB TYR A 66 -0.679 -4.399 7.236 1.00 0.00 C ATOM 888 CG TYR A 66 -1.869 -5.204 6.750 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.755 -6.063 5.664 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.109 -5.096 7.371 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.838 -6.791 5.211 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.198 -5.825 6.924 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.056 -6.668 5.843 1.00 0.00 C ATOM 894 OH TYR A 66 -5.136 -7.388 5.386 1.00 0.00 O ATOM 0 H TYR A 66 1.478 -3.466 8.045 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.312 -5.457 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.042 -3.505 7.744 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.104 -4.064 6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.802 -6.163 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.224 -4.433 8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.730 -7.454 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.153 -5.734 7.420 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.919 -7.190 5.940 1.00 0.00 H new ATOM 904 N ILE A 67 1.671 -6.231 6.528 1.00 0.00 N ATOM 905 CA ILE A 67 2.221 -7.320 5.708 1.00 0.00 C ATOM 906 C ILE A 67 2.707 -8.504 6.545 1.00 0.00 C ATOM 907 O ILE A 67 2.373 -9.646 6.248 1.00 0.00 O ATOM 908 CB ILE A 67 3.396 -6.813 4.837 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.903 -5.789 3.811 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.093 -7.972 4.137 1.00 0.00 C ATOM 911 CD1 ILE A 67 4.022 -5.114 3.046 1.00 0.00 C ATOM 0 H ILE A 67 2.036 -5.310 6.284 1.00 0.00 H new ATOM 0 HA ILE A 67 1.402 -7.663 5.076 1.00 0.00 H new ATOM 0 HB ILE A 67 4.118 -6.327 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.238 -6.286 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.313 -5.029 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.915 -7.590 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.483 -8.665 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.381 -8.491 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.600 -4.402 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.674 -4.589 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.598 -5.865 2.506 1.00 0.00 H new ATOM 923 N ARG A 68 3.473 -8.224 7.587 1.00 0.00 N ATOM 924 CA ARG A 68 4.109 -9.273 8.384 1.00 0.00 C ATOM 925 C ARG A 68 3.111 -10.263 8.951 1.00 0.00 C ATOM 926 O ARG A 68 3.242 -11.468 8.746 1.00 0.00 O ATOM 927 CB ARG A 68 4.905 -8.655 9.517 1.00 0.00 C ATOM 928 CG ARG A 68 6.034 -7.797 9.015 1.00 0.00 C ATOM 929 CD ARG A 68 6.858 -7.216 10.153 1.00 0.00 C ATOM 930 NE ARG A 68 7.294 -8.245 11.096 1.00 0.00 N ATOM 931 CZ ARG A 68 8.536 -8.355 11.566 1.00 0.00 C ATOM 932 NH1 ARG A 68 9.490 -7.525 11.163 1.00 0.00 N ATOM 933 NH2 ARG A 68 8.831 -9.311 12.434 1.00 0.00 N ATOM 0 H ARG A 68 3.673 -7.276 7.906 1.00 0.00 H new ATOM 0 HA ARG A 68 4.770 -9.822 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.242 -8.053 10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.306 -9.446 10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.679 -8.390 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.631 -6.986 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.730 -6.706 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.269 -6.467 10.681 1.00 0.00 H new ATOM 0 HE ARG A 68 6.602 -8.923 11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.276 -6.793 10.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.437 -7.620 11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.108 -9.961 12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.781 -9.397 12.795 1.00 0.00 H new ATOM 947 N THR A 69 2.115 -9.762 9.654 1.00 0.00 N ATOM 948 CA THR A 69 1.175 -10.633 10.329 1.00 0.00 C ATOM 949 C THR A 69 -0.013 -10.954 9.438 1.00 0.00 C ATOM 950 O THR A 69 -1.006 -11.531 9.889 1.00 0.00 O ATOM 951 CB THR A 69 0.699 -10.016 11.666 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.153 -10.934 12.369 1.00 0.00 O ATOM 953 CG2 THR A 69 -0.046 -8.707 11.424 1.00 0.00 C ATOM 0 H THR A 69 1.937 -8.765 9.772 1.00 0.00 H new ATOM 0 HA THR A 69 1.695 -11.565 10.552 1.00 0.00 H new ATOM 0 HB THR A 69 1.581 -9.811 12.273 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.710 -11.421 11.726 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.371 -8.292 12.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.616 -7.998 10.926 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.916 -8.894 10.795 1.00 0.00 H new ATOM 961 N SER A 70 0.095 -10.603 8.168 1.00 0.00 N ATOM 962 CA SER A 70 -0.971 -10.921 7.226 1.00 0.00 C ATOM 963 C SER A 70 -0.458 -11.798 6.093 1.00 0.00 C ATOM 964 O SER A 70 -0.876 -12.948 5.949 1.00 0.00 O ATOM 965 CB SER A 70 -1.587 -9.641 6.670 1.00 0.00 C ATOM 966 OG SER A 70 -1.983 -8.777 7.721 1.00 0.00 O ATOM 0 H SER A 70 0.892 -10.108 7.768 1.00 0.00 H new ATOM 0 HA SER A 70 -1.740 -11.478 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.867 -9.134 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.449 -9.886 6.050 1.00 0.00 H new ATOM 0 HG SER A 70 -1.203 -8.282 8.049 1.00 0.00 H new ATOM 972 N GLY A 71 0.487 -11.255 5.341 1.00 0.00 N ATOM 973 CA GLY A 71 0.995 -11.902 4.139 1.00 0.00 C ATOM 974 C GLY A 71 -0.101 -12.503 3.265 1.00 0.00 C ATOM 975 O GLY A 71 -0.255 -13.722 3.207 1.00 0.00 O ATOM 0 H GLY A 71 0.923 -10.356 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.558 -11.175 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.693 -12.689 4.426 1.00 0.00 H new ATOM 979 N ILE A 72 -0.842 -11.651 2.557 1.00 0.00 N ATOM 980 CA ILE A 72 -1.996 -12.106 1.783 1.00 0.00 C ATOM 981 C ILE A 72 -1.580 -12.506 0.359 1.00 0.00 C ATOM 982 O ILE A 72 -2.413 -12.806 -0.488 1.00 0.00 O ATOM 983 CB ILE A 72 -3.096 -11.011 1.749 1.00 0.00 C ATOM 984 CG1 ILE A 72 -3.373 -10.497 3.167 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.389 -11.537 1.133 1.00 0.00 C ATOM 986 CD1 ILE A 72 -3.883 -11.561 4.121 1.00 0.00 C ATOM 0 H ILE A 72 -0.665 -10.648 2.503 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.406 -12.989 2.273 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.730 -10.193 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.456 -10.069 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.105 -9.691 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.137 -10.744 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.198 -11.866 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.757 -12.377 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.055 -11.118 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.818 -11.973 3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.144 -12.357 4.207 1.00 0.00 H new ATOM 998 N ARG A 73 -0.276 -12.519 0.102 1.00 0.00 N ATOM 999 CA ARG A 73 0.240 -12.787 -1.242 1.00 0.00 C ATOM 1000 C ARG A 73 -0.097 -14.199 -1.707 1.00 0.00 C ATOM 1001 O ARG A 73 -0.351 -14.425 -2.887 1.00 0.00 O ATOM 1002 CB ARG A 73 1.748 -12.571 -1.290 1.00 0.00 C ATOM 1003 CG ARG A 73 2.576 -13.691 -0.678 1.00 0.00 C ATOM 1004 CD ARG A 73 4.061 -13.413 -0.814 1.00 0.00 C ATOM 1005 NE ARG A 73 4.889 -14.520 -0.335 1.00 0.00 N ATOM 1006 CZ ARG A 73 6.211 -14.441 -0.204 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.831 -13.309 -0.503 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.914 -15.486 0.217 1.00 0.00 N ATOM 0 H ARG A 73 0.444 -12.348 0.804 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.245 -12.085 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.049 -12.443 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.984 -11.641 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.319 -13.803 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.334 -14.635 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.295 -13.216 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.310 -12.510 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 73 4.430 -15.397 -0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.295 -12.505 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.844 -13.241 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.441 -16.361 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.927 -15.414 0.314 1.00 0.00 H new ATOM 1022 N THR A 74 -0.100 -15.144 -0.777 1.00 0.00 N ATOM 1023 CA THR A 74 -0.465 -16.515 -1.091 1.00 0.00 C ATOM 1024 C THR A 74 -1.982 -16.628 -1.204 1.00 0.00 C ATOM 1025 O THR A 74 -2.515 -17.663 -1.604 1.00 0.00 O ATOM 1026 CB THR A 74 0.061 -17.491 -0.011 1.00 0.00 C ATOM 1027 OG1 THR A 74 -0.145 -18.851 -0.411 1.00 0.00 O ATOM 1028 CG2 THR A 74 -0.625 -17.254 1.328 1.00 0.00 C ATOM 0 H THR A 74 0.146 -14.985 0.200 1.00 0.00 H new ATOM 0 HA THR A 74 -0.008 -16.786 -2.043 1.00 0.00 H new ATOM 0 HB THR A 74 1.129 -17.304 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.000 -18.927 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.234 -17.955 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.433 -16.233 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.699 -17.404 1.218 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.653 -15.520 -0.886 1.00 0.00 N ATOM 1037 CA ASP A 75 -4.106 -15.456 -0.784 1.00 0.00 C ATOM 1038 C ASP A 75 -4.630 -16.348 0.327 1.00 0.00 C ATOM 1039 O ASP A 75 -4.217 -17.494 0.500 1.00 0.00 O ATOM 1040 CB ASP A 75 -4.784 -15.788 -2.109 1.00 0.00 C ATOM 1041 CG ASP A 75 -6.301 -15.779 -2.006 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -6.854 -14.919 -1.285 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -6.945 -16.649 -2.630 1.00 0.00 O ATOM 0 H ASP A 75 -2.193 -14.631 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.357 -14.425 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.470 -15.068 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.452 -16.770 -2.447 1.00 0.00 H new TER 1048 ASP A 75