USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 Single : A 1 GLY N :NH3+ -113:sc= 0.0901 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= -0.0889 USER MOD Single : A 4 ASN : amide:sc= 0.698 K(o=0.7,f=-2!) USER MOD Single : A 6 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.23) USER MOD Single : A 7 THR OG1 : rot 180:sc=0.000136 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -27:sc= 1.24 USER MOD Single : A 32 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=-0.22) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0.926 (180deg=0.924) USER MOD Single : A 47 ASN : amide:sc= -0.354 K(o=-0.35,f=-4.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.167) USER MOD Single : A 61 SER OG : rot 79:sc= 0.113 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc=-0.000436 X(o=-0.00044,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.32! C(o=-1.3!,f=-3.8!) USER MOD Single : A 68 ASN : amide:sc= 0.169 K(o=0.17,f=-4.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -50:sc= 1.36 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -177:sc= -0.407 (180deg=-0.472) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -0.0179 (180deg=-0.136) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.723 -3.479 -6.799 1.00 15.54 N ATOM 2 CA GLY A 1 14.177 -2.547 -5.805 1.00 52.40 C ATOM 3 C GLY A 1 15.256 -1.622 -5.260 1.00 72.00 C ATOM 4 O GLY A 1 16.439 -1.826 -5.527 1.00 64.42 O ATOM 0 H1 GLY A 1 14.326 -3.260 -7.735 1.00 15.54 H new ATOM 0 H2 GLY A 1 15.758 -3.385 -6.831 1.00 15.54 H new ATOM 0 H3 GLY A 1 14.472 -4.453 -6.536 1.00 15.54 H new ATOM 0 HA2 GLY A 1 13.382 -1.954 -6.258 1.00 52.40 H new ATOM 0 HA3 GLY A 1 13.729 -3.108 -4.985 1.00 52.40 H new ATOM 8 N SER A 2 14.860 -0.607 -4.490 1.00 63.34 N ATOM 9 CA SER A 2 15.751 0.200 -3.660 1.00 0.23 C ATOM 10 C SER A 2 15.754 -0.322 -2.223 1.00 21.42 C ATOM 11 O SER A 2 15.282 -1.427 -1.959 1.00 14.12 O ATOM 12 CB SER A 2 15.326 1.655 -3.747 1.00 22.02 C ATOM 13 OG SER A 2 15.570 2.143 -5.050 1.00 75.42 O ATOM 0 H SER A 2 13.884 -0.317 -4.426 1.00 63.34 H new ATOM 0 HA SER A 2 16.776 0.126 -4.023 1.00 0.23 H new ATOM 0 HB2 SER A 2 14.268 1.750 -3.504 1.00 22.02 H new ATOM 0 HB3 SER A 2 15.875 2.249 -3.017 1.00 22.02 H new ATOM 0 HG SER A 2 15.603 3.122 -5.032 1.00 75.42 H new ATOM 19 N GLU A 3 16.316 0.448 -1.289 1.00 15.45 N ATOM 20 CA GLU A 3 16.498 0.091 0.117 1.00 42.41 C ATOM 21 C GLU A 3 15.207 -0.365 0.796 1.00 55.20 C ATOM 22 O GLU A 3 15.237 -1.283 1.619 1.00 61.24 O ATOM 23 CB GLU A 3 17.148 1.278 0.835 1.00 12.24 C ATOM 24 CG GLU A 3 16.318 2.572 0.969 1.00 71.11 C ATOM 25 CD GLU A 3 17.223 3.810 1.093 1.00 34.12 C ATOM 26 OE1 GLU A 3 18.288 3.748 1.739 1.00 42.11 O ATOM 27 OE2 GLU A 3 16.925 4.864 0.480 1.00 60.33 O ATOM 0 H GLU A 3 16.672 1.379 -1.503 1.00 15.45 H new ATOM 0 HA GLU A 3 17.154 -0.777 0.176 1.00 42.41 H new ATOM 0 HB2 GLU A 3 17.428 0.953 1.837 1.00 12.24 H new ATOM 0 HB3 GLU A 3 18.071 1.524 0.310 1.00 12.24 H new ATOM 0 HG2 GLU A 3 15.668 2.680 0.101 1.00 71.11 H new ATOM 0 HG3 GLU A 3 15.672 2.503 1.844 1.00 71.11 H new ATOM 34 N ASN A 4 14.076 0.213 0.379 1.00 62.31 N ATOM 35 CA ASN A 4 12.749 -0.073 0.913 1.00 52.50 C ATOM 36 C ASN A 4 12.399 -1.543 0.694 1.00 1.43 C ATOM 37 O ASN A 4 11.839 -2.175 1.584 1.00 2.14 O ATOM 38 CB ASN A 4 11.653 0.810 0.275 1.00 51.43 C ATOM 39 CG ASN A 4 12.145 2.159 -0.231 1.00 64.44 C ATOM 40 OD1 ASN A 4 12.255 3.123 0.514 1.00 51.54 O ATOM 41 ND2 ASN A 4 12.491 2.234 -1.507 1.00 12.33 N ATOM 0 H ASN A 4 14.063 0.914 -0.362 1.00 62.31 H new ATOM 0 HA ASN A 4 12.782 0.153 1.979 1.00 52.50 H new ATOM 0 HB2 ASN A 4 11.204 0.266 -0.556 1.00 51.43 H new ATOM 0 HB3 ASN A 4 10.865 0.977 1.010 1.00 51.43 H new ATOM 0 HD21 ASN A 4 12.857 3.107 -1.886 1.00 12.33 H new ATOM 0 HD22 ASN A 4 12.391 1.418 -2.111 1.00 12.33 H new ATOM 48 N PHE A 5 12.720 -2.077 -0.489 1.00 54.21 N ATOM 49 CA PHE A 5 12.310 -3.387 -0.975 1.00 44.33 C ATOM 50 C PHE A 5 12.482 -4.487 0.073 1.00 40.12 C ATOM 51 O PHE A 5 11.501 -5.121 0.461 1.00 4.25 O ATOM 52 CB PHE A 5 13.068 -3.709 -2.271 1.00 73.03 C ATOM 53 CG PHE A 5 12.650 -5.018 -2.898 1.00 75.14 C ATOM 54 CD1 PHE A 5 11.373 -5.128 -3.470 1.00 35.31 C ATOM 55 CD2 PHE A 5 13.496 -6.143 -2.848 1.00 2.42 C ATOM 56 CE1 PHE A 5 10.948 -6.362 -3.977 1.00 35.24 C ATOM 57 CE2 PHE A 5 13.083 -7.366 -3.401 1.00 31.15 C ATOM 58 CZ PHE A 5 11.798 -7.477 -3.961 1.00 4.43 C ATOM 0 H PHE A 5 13.302 -1.578 -1.162 1.00 54.21 H new ATOM 0 HA PHE A 5 11.241 -3.351 -1.186 1.00 44.33 H new ATOM 0 HB2 PHE A 5 12.907 -2.903 -2.987 1.00 73.03 H new ATOM 0 HB3 PHE A 5 14.137 -3.740 -2.060 1.00 73.03 H new ATOM 0 HD1 PHE A 5 10.723 -4.267 -3.519 1.00 35.31 H new ATOM 0 HD2 PHE A 5 14.467 -6.065 -2.382 1.00 2.42 H new ATOM 0 HE1 PHE A 5 9.953 -6.456 -4.386 1.00 35.24 H new ATOM 0 HE2 PHE A 5 13.749 -8.217 -3.396 1.00 31.15 H new ATOM 0 HZ PHE A 5 11.467 -8.417 -4.377 1.00 4.43 H new ATOM 68 N GLN A 6 13.713 -4.722 0.532 1.00 20.04 N ATOM 69 CA GLN A 6 13.997 -5.809 1.454 1.00 41.24 C ATOM 70 C GLN A 6 13.273 -5.617 2.786 1.00 12.23 C ATOM 71 O GLN A 6 12.865 -6.605 3.396 1.00 31.41 O ATOM 72 CB GLN A 6 15.516 -5.946 1.652 1.00 31.35 C ATOM 73 CG GLN A 6 15.888 -7.193 2.466 1.00 24.03 C ATOM 74 CD GLN A 6 15.361 -8.459 1.800 1.00 35.11 C ATOM 75 OE1 GLN A 6 15.916 -8.909 0.804 1.00 2.31 O ATOM 76 NE2 GLN A 6 14.252 -9.014 2.259 1.00 0.14 N ATOM 0 H GLN A 6 14.529 -4.167 0.275 1.00 20.04 H new ATOM 0 HA GLN A 6 13.621 -6.736 1.021 1.00 41.24 H new ATOM 0 HB2 GLN A 6 16.004 -5.991 0.679 1.00 31.35 H new ATOM 0 HB3 GLN A 6 15.896 -5.058 2.158 1.00 31.35 H new ATOM 0 HG2 GLN A 6 16.971 -7.255 2.567 1.00 24.03 H new ATOM 0 HG3 GLN A 6 15.478 -7.110 3.473 1.00 24.03 H new ATOM 0 HE21 GLN A 6 13.797 -8.633 3.088 1.00 0.14 H new ATOM 0 HE22 GLN A 6 13.852 -9.823 1.784 1.00 0.14 H new ATOM 85 N THR A 7 13.095 -4.372 3.231 1.00 72.31 N ATOM 86 CA THR A 7 12.376 -4.082 4.457 1.00 61.30 C ATOM 87 C THR A 7 10.900 -4.446 4.278 1.00 15.54 C ATOM 88 O THR A 7 10.334 -5.048 5.181 1.00 64.11 O ATOM 89 CB THR A 7 12.598 -2.614 4.860 1.00 13.12 C ATOM 90 OG1 THR A 7 13.961 -2.265 4.672 1.00 40.54 O ATOM 91 CG2 THR A 7 12.267 -2.379 6.334 1.00 73.23 C ATOM 0 H THR A 7 13.446 -3.545 2.749 1.00 72.31 H new ATOM 0 HA THR A 7 12.757 -4.688 5.279 1.00 61.30 H new ATOM 0 HB THR A 7 11.942 -2.007 4.236 1.00 13.12 H new ATOM 0 HG1 THR A 7 14.097 -1.329 4.928 1.00 40.54 H new ATOM 0 HG21 THR A 7 12.436 -1.331 6.582 1.00 73.23 H new ATOM 0 HG22 THR A 7 11.223 -2.632 6.517 1.00 73.23 H new ATOM 0 HG23 THR A 7 12.906 -3.006 6.955 1.00 73.23 H new ATOM 99 N LEU A 8 10.281 -4.185 3.118 1.00 41.53 N ATOM 100 CA LEU A 8 8.903 -4.610 2.853 1.00 20.03 C ATOM 101 C LEU A 8 8.808 -6.136 2.937 1.00 24.12 C ATOM 102 O LEU A 8 7.871 -6.654 3.545 1.00 12.31 O ATOM 103 CB LEU A 8 8.411 -4.138 1.472 1.00 72.40 C ATOM 104 CG LEU A 8 8.007 -2.657 1.277 1.00 4.35 C ATOM 105 CD1 LEU A 8 8.514 -1.670 2.329 1.00 43.21 C ATOM 106 CD2 LEU A 8 8.466 -2.166 -0.101 1.00 60.04 C ATOM 0 H LEU A 8 10.717 -3.679 2.347 1.00 41.53 H new ATOM 0 HA LEU A 8 8.265 -4.152 3.609 1.00 20.03 H new ATOM 0 HB2 LEU A 8 9.197 -4.361 0.751 1.00 72.40 H new ATOM 0 HB3 LEU A 8 7.550 -4.750 1.204 1.00 72.40 H new ATOM 0 HG LEU A 8 6.922 -2.668 1.380 1.00 4.35 H new ATOM 0 HD11 LEU A 8 8.166 -0.666 2.084 1.00 43.21 H new ATOM 0 HD12 LEU A 8 8.134 -1.956 3.310 1.00 43.21 H new ATOM 0 HD13 LEU A 8 9.604 -1.683 2.344 1.00 43.21 H new ATOM 0 HD21 LEU A 8 8.178 -1.123 -0.230 1.00 60.04 H new ATOM 0 HD22 LEU A 8 9.550 -2.255 -0.177 1.00 60.04 H new ATOM 0 HD23 LEU A 8 7.997 -2.771 -0.877 1.00 60.04 H new ATOM 118 N LEU A 9 9.772 -6.854 2.346 1.00 55.23 N ATOM 119 CA LEU A 9 9.833 -8.320 2.367 1.00 4.55 C ATOM 120 C LEU A 9 10.006 -8.888 3.777 1.00 5.54 C ATOM 121 O LEU A 9 9.798 -10.086 3.973 1.00 70.24 O ATOM 122 CB LEU A 9 11.011 -8.830 1.510 1.00 32.12 C ATOM 123 CG LEU A 9 10.729 -9.173 0.042 1.00 51.42 C ATOM 124 CD1 LEU A 9 9.478 -10.028 -0.168 1.00 71.24 C ATOM 125 CD2 LEU A 9 10.650 -7.911 -0.804 1.00 21.23 C ATOM 0 H LEU A 9 10.542 -6.426 1.833 1.00 55.23 H new ATOM 0 HA LEU A 9 8.879 -8.660 1.965 1.00 4.55 H new ATOM 0 HB2 LEU A 9 11.795 -8.073 1.533 1.00 32.12 H new ATOM 0 HB3 LEU A 9 11.415 -9.721 1.991 1.00 32.12 H new ATOM 0 HG LEU A 9 11.573 -9.781 -0.283 1.00 51.42 H new ATOM 0 HD11 LEU A 9 9.348 -10.227 -1.232 1.00 71.24 H new ATOM 0 HD12 LEU A 9 9.588 -10.971 0.367 1.00 71.24 H new ATOM 0 HD13 LEU A 9 8.606 -9.496 0.211 1.00 71.24 H new ATOM 0 HD21 LEU A 9 10.449 -8.180 -1.841 1.00 21.23 H new ATOM 0 HD22 LEU A 9 9.848 -7.274 -0.433 1.00 21.23 H new ATOM 0 HD23 LEU A 9 11.597 -7.374 -0.745 1.00 21.23 H new ATOM 137 N ASP A 10 10.417 -8.066 4.739 1.00 54.14 N ATOM 138 CA ASP A 10 10.661 -8.423 6.136 1.00 22.34 C ATOM 139 C ASP A 10 9.538 -7.889 7.039 1.00 63.00 C ATOM 140 O ASP A 10 9.288 -8.410 8.127 1.00 21.11 O ATOM 141 CB ASP A 10 12.035 -7.860 6.522 1.00 53.34 C ATOM 142 CG ASP A 10 12.446 -8.113 7.969 1.00 64.00 C ATOM 143 OD1 ASP A 10 12.019 -9.106 8.594 1.00 22.15 O ATOM 144 OD2 ASP A 10 13.240 -7.291 8.485 1.00 53.30 O ATOM 0 H ASP A 10 10.599 -7.079 4.556 1.00 54.14 H new ATOM 0 HA ASP A 10 10.663 -9.505 6.267 1.00 22.34 H new ATOM 0 HB2 ASP A 10 12.788 -8.294 5.864 1.00 53.34 H new ATOM 0 HB3 ASP A 10 12.035 -6.785 6.341 1.00 53.34 H new ATOM 149 N ALA A 11 8.758 -6.925 6.549 1.00 21.42 N ATOM 150 CA ALA A 11 7.646 -6.259 7.215 1.00 65.21 C ATOM 151 C ALA A 11 6.351 -7.046 7.027 1.00 74.40 C ATOM 152 O ALA A 11 5.263 -6.472 6.928 1.00 43.23 O ATOM 153 CB ALA A 11 7.513 -4.848 6.649 1.00 34.34 C ATOM 0 H ALA A 11 8.901 -6.565 5.605 1.00 21.42 H new ATOM 0 HA ALA A 11 7.840 -6.205 8.286 1.00 65.21 H new ATOM 0 HB1 ALA A 11 6.684 -4.336 7.138 1.00 34.34 H new ATOM 0 HB2 ALA A 11 8.436 -4.296 6.827 1.00 34.34 H new ATOM 0 HB3 ALA A 11 7.324 -4.902 5.577 1.00 34.34 H new ATOM 159 N GLY A 12 6.473 -8.365 6.905 1.00 71.10 N ATOM 160 CA GLY A 12 5.355 -9.273 6.851 1.00 12.51 C ATOM 161 C GLY A 12 4.719 -9.402 5.473 1.00 33.02 C ATOM 162 O GLY A 12 3.707 -10.094 5.371 1.00 62.10 O ATOM 0 H GLY A 12 7.377 -8.833 6.840 1.00 71.10 H new ATOM 0 HA2 GLY A 12 5.686 -10.258 7.179 1.00 12.51 H new ATOM 0 HA3 GLY A 12 4.596 -8.939 7.559 1.00 12.51 H new ATOM 166 N LEU A 13 5.247 -8.752 4.431 1.00 41.12 N ATOM 167 CA LEU A 13 4.599 -8.706 3.120 1.00 33.41 C ATOM 168 C LEU A 13 5.270 -9.636 2.084 1.00 1.44 C ATOM 169 O LEU A 13 6.467 -9.911 2.190 1.00 2.52 O ATOM 170 CB LEU A 13 4.664 -7.279 2.575 1.00 14.23 C ATOM 171 CG LEU A 13 4.077 -6.129 3.403 1.00 15.24 C ATOM 172 CD1 LEU A 13 4.570 -4.798 2.817 1.00 21.35 C ATOM 173 CD2 LEU A 13 2.547 -6.175 3.354 1.00 42.42 C ATOM 0 H LEU A 13 6.131 -8.246 4.474 1.00 41.12 H new ATOM 0 HA LEU A 13 3.572 -9.041 3.266 1.00 33.41 H new ATOM 0 HB2 LEU A 13 5.713 -7.047 2.390 1.00 14.23 H new ATOM 0 HB3 LEU A 13 4.162 -7.275 1.608 1.00 14.23 H new ATOM 0 HG LEU A 13 4.398 -6.224 4.440 1.00 15.24 H new ATOM 0 HD11 LEU A 13 4.160 -3.971 3.397 1.00 21.35 H new ATOM 0 HD12 LEU A 13 5.659 -4.764 2.857 1.00 21.35 H new ATOM 0 HD13 LEU A 13 4.242 -4.713 1.781 1.00 21.35 H new ATOM 0 HD21 LEU A 13 2.139 -5.355 3.945 1.00 42.42 H new ATOM 0 HD22 LEU A 13 2.213 -6.079 2.321 1.00 42.42 H new ATOM 0 HD23 LEU A 13 2.198 -7.124 3.761 1.00 42.42 H new ATOM 185 N PRO A 14 4.545 -10.051 1.023 1.00 52.33 N ATOM 186 CA PRO A 14 5.083 -10.846 -0.088 1.00 63.30 C ATOM 187 C PRO A 14 5.942 -10.034 -1.071 1.00 1.43 C ATOM 188 O PRO A 14 5.926 -8.797 -1.073 1.00 60.20 O ATOM 189 CB PRO A 14 3.856 -11.416 -0.815 1.00 20.33 C ATOM 190 CG PRO A 14 2.780 -10.378 -0.535 1.00 3.41 C ATOM 191 CD PRO A 14 3.104 -9.890 0.868 1.00 23.31 C ATOM 0 HA PRO A 14 5.750 -11.614 0.304 1.00 63.30 H new ATOM 0 HB2 PRO A 14 4.037 -11.531 -1.884 1.00 20.33 H new ATOM 0 HB3 PRO A 14 3.579 -12.398 -0.431 1.00 20.33 H new ATOM 0 HG2 PRO A 14 2.811 -9.564 -1.259 1.00 3.41 H new ATOM 0 HG3 PRO A 14 1.782 -10.812 -0.587 1.00 3.41 H new ATOM 0 HD2 PRO A 14 2.811 -8.848 0.997 1.00 23.31 H new ATOM 0 HD3 PRO A 14 2.563 -10.468 1.617 1.00 23.31 H new ATOM 199 N GLN A 15 6.619 -10.738 -1.993 1.00 42.10 N ATOM 200 CA GLN A 15 7.460 -10.160 -3.035 1.00 43.10 C ATOM 201 C GLN A 15 6.603 -9.377 -4.008 1.00 33.44 C ATOM 202 O GLN A 15 6.973 -8.273 -4.396 1.00 11.52 O ATOM 203 CB GLN A 15 8.232 -11.265 -3.788 1.00 20.35 C ATOM 204 CG GLN A 15 8.979 -10.711 -5.017 1.00 33.44 C ATOM 205 CD GLN A 15 9.890 -11.742 -5.667 1.00 52.21 C ATOM 206 OE1 GLN A 15 9.498 -12.425 -6.606 1.00 55.13 O ATOM 207 NE2 GLN A 15 11.120 -11.879 -5.210 1.00 1.44 N ATOM 0 H GLN A 15 6.590 -11.757 -2.028 1.00 42.10 H new ATOM 0 HA GLN A 15 8.182 -9.491 -2.568 1.00 43.10 H new ATOM 0 HB2 GLN A 15 8.946 -11.735 -3.111 1.00 20.35 H new ATOM 0 HB3 GLN A 15 7.536 -12.041 -4.106 1.00 20.35 H new ATOM 0 HG2 GLN A 15 8.253 -10.361 -5.750 1.00 33.44 H new ATOM 0 HG3 GLN A 15 9.572 -9.847 -4.717 1.00 33.44 H new ATOM 0 HE21 GLN A 15 11.440 -11.307 -4.428 1.00 1.44 H new ATOM 0 HE22 GLN A 15 11.751 -12.556 -5.639 1.00 1.44 H new ATOM 216 N LYS A 16 5.495 -9.970 -4.467 1.00 63.02 N ATOM 217 CA LYS A 16 4.777 -9.424 -5.594 1.00 72.23 C ATOM 218 C LYS A 16 4.324 -7.991 -5.347 1.00 33.32 C ATOM 219 O LYS A 16 4.424 -7.141 -6.230 1.00 21.12 O ATOM 220 CB LYS A 16 3.597 -10.354 -5.938 1.00 3.34 C ATOM 221 CG LYS A 16 3.595 -10.676 -7.428 1.00 2.52 C ATOM 222 CD LYS A 16 2.449 -10.058 -8.218 1.00 14.53 C ATOM 223 CE LYS A 16 2.669 -10.513 -9.654 1.00 4.31 C ATOM 224 NZ LYS A 16 2.946 -9.377 -10.549 1.00 52.33 N ATOM 0 H LYS A 16 5.090 -10.818 -4.072 1.00 63.02 H new ATOM 0 HA LYS A 16 5.450 -9.376 -6.450 1.00 72.23 H new ATOM 0 HB2 LYS A 16 3.670 -11.275 -5.360 1.00 3.34 H new ATOM 0 HB3 LYS A 16 2.657 -9.878 -5.661 1.00 3.34 H new ATOM 0 HG2 LYS A 16 4.537 -10.338 -7.859 1.00 2.52 H new ATOM 0 HG3 LYS A 16 3.559 -11.758 -7.551 1.00 2.52 H new ATOM 0 HD2 LYS A 16 1.483 -10.395 -7.841 1.00 14.53 H new ATOM 0 HD3 LYS A 16 2.459 -8.971 -8.143 1.00 14.53 H new ATOM 0 HE2 LYS A 16 3.502 -11.216 -9.690 1.00 4.31 H new ATOM 0 HE3 LYS A 16 1.786 -11.047 -10.006 1.00 4.31 H new ATOM 0 HZ1 LYS A 16 3.090 -9.726 -11.518 1.00 52.33 H new ATOM 0 HZ2 LYS A 16 2.141 -8.719 -10.534 1.00 52.33 H new ATOM 0 HZ3 LYS A 16 3.803 -8.883 -10.228 1.00 52.33 H new ATOM 238 N VAL A 17 3.828 -7.770 -4.133 1.00 23.25 N ATOM 239 CA VAL A 17 3.449 -6.491 -3.571 1.00 31.34 C ATOM 240 C VAL A 17 4.713 -5.624 -3.518 1.00 13.12 C ATOM 241 O VAL A 17 4.741 -4.561 -4.135 1.00 24.32 O ATOM 242 CB VAL A 17 2.776 -6.768 -2.200 1.00 63.11 C ATOM 243 CG1 VAL A 17 2.397 -5.519 -1.393 1.00 51.34 C ATOM 244 CG2 VAL A 17 1.496 -7.602 -2.407 1.00 44.20 C ATOM 0 H VAL A 17 3.672 -8.536 -3.477 1.00 23.25 H new ATOM 0 HA VAL A 17 2.720 -5.936 -4.162 1.00 31.34 H new ATOM 0 HB VAL A 17 3.533 -7.299 -1.622 1.00 63.11 H new ATOM 0 HG11 VAL A 17 1.934 -5.820 -0.453 1.00 51.34 H new ATOM 0 HG12 VAL A 17 3.293 -4.934 -1.186 1.00 51.34 H new ATOM 0 HG13 VAL A 17 1.694 -4.915 -1.966 1.00 51.34 H new ATOM 0 HG21 VAL A 17 1.027 -7.794 -1.442 1.00 44.20 H new ATOM 0 HG22 VAL A 17 0.803 -7.053 -3.044 1.00 44.20 H new ATOM 0 HG23 VAL A 17 1.752 -8.550 -2.881 1.00 44.20 H new ATOM 254 N ALA A 18 5.769 -6.088 -2.841 1.00 1.13 N ATOM 255 CA ALA A 18 6.986 -5.323 -2.572 1.00 11.21 C ATOM 256 C ALA A 18 7.581 -4.716 -3.831 1.00 12.31 C ATOM 257 O ALA A 18 8.001 -3.566 -3.805 1.00 13.34 O ATOM 258 CB ALA A 18 8.056 -6.197 -1.915 1.00 73.14 C ATOM 0 H ALA A 18 5.799 -7.032 -2.456 1.00 1.13 H new ATOM 0 HA ALA A 18 6.687 -4.520 -1.898 1.00 11.21 H new ATOM 0 HB1 ALA A 18 8.949 -5.600 -1.727 1.00 73.14 H new ATOM 0 HB2 ALA A 18 7.677 -6.589 -0.971 1.00 73.14 H new ATOM 0 HB3 ALA A 18 8.306 -7.026 -2.578 1.00 73.14 H new ATOM 264 N GLU A 19 7.618 -5.482 -4.919 1.00 31.11 N ATOM 265 CA GLU A 19 8.178 -5.060 -6.193 1.00 14.42 C ATOM 266 C GLU A 19 7.531 -3.748 -6.647 1.00 34.14 C ATOM 267 O GLU A 19 8.234 -2.813 -7.038 1.00 64.14 O ATOM 268 CB GLU A 19 7.980 -6.206 -7.208 1.00 73.20 C ATOM 269 CG GLU A 19 9.126 -7.238 -7.182 1.00 74.33 C ATOM 270 CD GLU A 19 9.983 -7.142 -8.444 1.00 34.44 C ATOM 271 OE1 GLU A 19 10.856 -6.242 -8.534 1.00 74.13 O ATOM 272 OE2 GLU A 19 9.746 -7.935 -9.381 1.00 72.04 O ATOM 0 H GLU A 19 7.251 -6.433 -4.936 1.00 31.11 H new ATOM 0 HA GLU A 19 9.246 -4.859 -6.104 1.00 14.42 H new ATOM 0 HB2 GLU A 19 7.038 -6.712 -6.997 1.00 73.20 H new ATOM 0 HB3 GLU A 19 7.899 -5.786 -8.211 1.00 73.20 H new ATOM 0 HG2 GLU A 19 9.749 -7.072 -6.303 1.00 74.33 H new ATOM 0 HG3 GLU A 19 8.713 -8.243 -7.095 1.00 74.33 H new ATOM 279 N LYS A 20 6.200 -3.652 -6.553 1.00 71.31 N ATOM 280 CA LYS A 20 5.468 -2.445 -6.930 1.00 75.44 C ATOM 281 C LYS A 20 5.523 -1.410 -5.807 1.00 21.03 C ATOM 282 O LYS A 20 5.641 -0.221 -6.091 1.00 33.44 O ATOM 283 CB LYS A 20 4.013 -2.803 -7.312 1.00 23.25 C ATOM 284 CG LYS A 20 3.826 -3.111 -8.810 1.00 75.00 C ATOM 285 CD LYS A 20 4.650 -4.310 -9.297 1.00 72.00 C ATOM 286 CE LYS A 20 4.540 -4.532 -10.809 1.00 63.10 C ATOM 287 NZ LYS A 20 3.338 -5.262 -11.252 1.00 34.24 N ATOM 0 H LYS A 20 5.605 -4.408 -6.214 1.00 71.31 H new ATOM 0 HA LYS A 20 5.942 -1.999 -7.805 1.00 75.44 H new ATOM 0 HB2 LYS A 20 3.696 -3.668 -6.730 1.00 23.25 H new ATOM 0 HB3 LYS A 20 3.360 -1.975 -7.036 1.00 23.25 H new ATOM 0 HG2 LYS A 20 2.771 -3.303 -9.004 1.00 75.00 H new ATOM 0 HG3 LYS A 20 4.102 -2.231 -9.391 1.00 75.00 H new ATOM 0 HD2 LYS A 20 5.696 -4.157 -9.032 1.00 72.00 H new ATOM 0 HD3 LYS A 20 4.317 -5.209 -8.777 1.00 72.00 H new ATOM 0 HE2 LYS A 20 4.559 -3.561 -11.305 1.00 63.10 H new ATOM 0 HE3 LYS A 20 5.421 -5.078 -11.145 1.00 63.10 H new ATOM 0 HZ1 LYS A 20 3.354 -5.362 -12.287 1.00 34.24 H new ATOM 0 HZ2 LYS A 20 3.323 -6.205 -10.813 1.00 34.24 H new ATOM 0 HZ3 LYS A 20 2.488 -4.735 -10.968 1.00 34.24 H new ATOM 301 N LEU A 21 5.440 -1.824 -4.545 1.00 23.15 N ATOM 302 CA LEU A 21 5.357 -0.941 -3.382 1.00 13.25 C ATOM 303 C LEU A 21 6.640 -0.132 -3.221 1.00 3.34 C ATOM 304 O LEU A 21 6.588 1.061 -2.948 1.00 21.04 O ATOM 305 CB LEU A 21 5.103 -1.811 -2.144 1.00 55.32 C ATOM 306 CG LEU A 21 4.890 -1.113 -0.805 1.00 75.02 C ATOM 307 CD1 LEU A 21 3.963 0.102 -0.813 1.00 52.20 C ATOM 308 CD2 LEU A 21 4.400 -2.188 0.172 1.00 73.32 C ATOM 0 H LEU A 21 5.428 -2.813 -4.295 1.00 23.15 H new ATOM 0 HA LEU A 21 4.542 -0.229 -3.512 1.00 13.25 H new ATOM 0 HB2 LEU A 21 4.225 -2.425 -2.343 1.00 55.32 H new ATOM 0 HB3 LEU A 21 5.949 -2.490 -2.035 1.00 55.32 H new ATOM 0 HG LEU A 21 5.842 -0.673 -0.507 1.00 75.02 H new ATOM 0 HD11 LEU A 21 3.891 0.511 0.195 1.00 52.20 H new ATOM 0 HD12 LEU A 21 4.364 0.861 -1.485 1.00 52.20 H new ATOM 0 HD13 LEU A 21 2.972 -0.198 -1.154 1.00 52.20 H new ATOM 0 HD21 LEU A 21 4.231 -1.740 1.151 1.00 73.32 H new ATOM 0 HD22 LEU A 21 3.468 -2.617 -0.196 1.00 73.32 H new ATOM 0 HD23 LEU A 21 5.152 -2.973 0.257 1.00 73.32 H new ATOM 320 N ASP A 22 7.794 -0.767 -3.426 1.00 34.03 N ATOM 321 CA ASP A 22 9.116 -0.162 -3.289 1.00 61.03 C ATOM 322 C ASP A 22 9.228 1.084 -4.163 1.00 75.31 C ATOM 323 O ASP A 22 9.653 2.135 -3.697 1.00 0.22 O ATOM 324 CB ASP A 22 10.166 -1.209 -3.665 1.00 33.34 C ATOM 325 CG ASP A 22 11.548 -0.618 -3.934 1.00 51.42 C ATOM 326 OD1 ASP A 22 12.211 -0.147 -2.985 1.00 13.35 O ATOM 327 OD2 ASP A 22 11.992 -0.727 -5.099 1.00 40.24 O ATOM 0 H ASP A 22 7.834 -1.748 -3.701 1.00 34.03 H new ATOM 0 HA ASP A 22 9.280 0.156 -2.260 1.00 61.03 H new ATOM 0 HB2 ASP A 22 10.243 -1.940 -2.860 1.00 33.34 H new ATOM 0 HB3 ASP A 22 9.830 -1.746 -4.552 1.00 33.34 H new ATOM 332 N GLU A 23 8.752 0.997 -5.406 1.00 52.24 N ATOM 333 CA GLU A 23 8.764 2.091 -6.374 1.00 4.24 C ATOM 334 C GLU A 23 8.038 3.343 -5.867 1.00 64.14 C ATOM 335 O GLU A 23 8.428 4.460 -6.211 1.00 71.24 O ATOM 336 CB GLU A 23 8.099 1.603 -7.671 1.00 13.51 C ATOM 337 CG GLU A 23 9.095 1.257 -8.791 1.00 51.34 C ATOM 338 CD GLU A 23 8.762 2.054 -10.040 1.00 0.13 C ATOM 339 OE1 GLU A 23 9.097 3.256 -10.075 1.00 73.44 O ATOM 340 OE2 GLU A 23 8.005 1.553 -10.920 1.00 20.25 O ATOM 0 H GLU A 23 8.337 0.141 -5.775 1.00 52.24 H new ATOM 0 HA GLU A 23 9.803 2.375 -6.544 1.00 4.24 H new ATOM 0 HB2 GLU A 23 7.496 0.722 -7.449 1.00 13.51 H new ATOM 0 HB3 GLU A 23 7.417 2.374 -8.030 1.00 13.51 H new ATOM 0 HG2 GLU A 23 10.112 1.479 -8.467 1.00 51.34 H new ATOM 0 HG3 GLU A 23 9.056 0.190 -9.008 1.00 51.34 H new ATOM 347 N ILE A 24 6.982 3.163 -5.069 1.00 55.13 N ATOM 348 CA ILE A 24 6.186 4.259 -4.512 1.00 61.41 C ATOM 349 C ILE A 24 7.044 5.061 -3.510 1.00 64.33 C ATOM 350 O ILE A 24 6.813 6.254 -3.306 1.00 32.14 O ATOM 351 CB ILE A 24 4.862 3.721 -3.888 1.00 12.43 C ATOM 352 CG1 ILE A 24 4.169 2.669 -4.794 1.00 55.10 C ATOM 353 CG2 ILE A 24 3.883 4.875 -3.593 1.00 32.14 C ATOM 354 CD1 ILE A 24 2.816 2.143 -4.297 1.00 22.32 C ATOM 0 H ILE A 24 6.652 2.240 -4.788 1.00 55.13 H new ATOM 0 HA ILE A 24 5.888 4.942 -5.308 1.00 61.41 H new ATOM 0 HB ILE A 24 5.136 3.231 -2.954 1.00 12.43 H new ATOM 0 HG12 ILE A 24 4.026 3.107 -5.782 1.00 55.10 H new ATOM 0 HG13 ILE A 24 4.844 1.822 -4.915 1.00 55.10 H new ATOM 0 HG21 ILE A 24 2.968 4.473 -3.158 1.00 32.14 H new ATOM 0 HG22 ILE A 24 4.342 5.572 -2.892 1.00 32.14 H new ATOM 0 HG23 ILE A 24 3.646 5.397 -4.520 1.00 32.14 H new ATOM 0 HD11 ILE A 24 2.425 1.415 -5.008 1.00 22.32 H new ATOM 0 HD12 ILE A 24 2.945 1.667 -3.325 1.00 22.32 H new ATOM 0 HD13 ILE A 24 2.115 2.972 -4.205 1.00 22.32 H new ATOM 366 N TYR A 25 8.062 4.432 -2.918 1.00 35.45 N ATOM 367 CA TYR A 25 8.951 5.053 -1.950 1.00 24.35 C ATOM 368 C TYR A 25 10.202 5.621 -2.611 1.00 32.15 C ATOM 369 O TYR A 25 10.693 6.662 -2.179 1.00 73.41 O ATOM 370 CB TYR A 25 9.289 4.022 -0.869 1.00 44.21 C ATOM 371 CG TYR A 25 8.069 3.504 -0.136 1.00 13.13 C ATOM 372 CD1 TYR A 25 7.183 4.432 0.427 1.00 33.23 C ATOM 373 CD2 TYR A 25 7.801 2.126 -0.014 1.00 12.14 C ATOM 374 CE1 TYR A 25 6.074 4.002 1.160 1.00 14.52 C ATOM 375 CE2 TYR A 25 6.687 1.681 0.730 1.00 43.23 C ATOM 376 CZ TYR A 25 5.844 2.630 1.364 1.00 12.31 C ATOM 377 OH TYR A 25 4.844 2.261 2.212 1.00 0.11 O ATOM 0 H TYR A 25 8.291 3.456 -3.107 1.00 35.45 H new ATOM 0 HA TYR A 25 8.449 5.904 -1.490 1.00 24.35 H new ATOM 0 HB2 TYR A 25 9.813 3.183 -1.327 1.00 44.21 H new ATOM 0 HB3 TYR A 25 9.974 4.471 -0.149 1.00 44.21 H new ATOM 0 HD1 TYR A 25 7.359 5.489 0.293 1.00 33.23 H new ATOM 0 HD2 TYR A 25 8.451 1.407 -0.492 1.00 12.14 H new ATOM 0 HE1 TYR A 25 5.389 4.728 1.573 1.00 14.52 H new ATOM 0 HE2 TYR A 25 6.478 0.625 0.816 1.00 43.23 H new ATOM 0 HH TYR A 25 4.702 2.967 2.877 1.00 0.11 H new ATOM 387 N VAL A 26 10.687 5.009 -3.694 1.00 74.40 N ATOM 388 CA VAL A 26 11.841 5.497 -4.447 1.00 71.04 C ATOM 389 C VAL A 26 11.650 6.962 -4.850 1.00 55.21 C ATOM 390 O VAL A 26 12.502 7.801 -4.547 1.00 11.32 O ATOM 391 CB VAL A 26 12.101 4.571 -5.655 1.00 4.54 C ATOM 392 CG1 VAL A 26 13.207 5.096 -6.578 1.00 44.43 C ATOM 393 CG2 VAL A 26 12.547 3.198 -5.157 1.00 33.32 C ATOM 0 H VAL A 26 10.285 4.153 -4.075 1.00 74.40 H new ATOM 0 HA VAL A 26 12.729 5.469 -3.815 1.00 71.04 H new ATOM 0 HB VAL A 26 11.167 4.523 -6.215 1.00 4.54 H new ATOM 0 HG11 VAL A 26 13.346 4.405 -7.409 1.00 44.43 H new ATOM 0 HG12 VAL A 26 12.924 6.075 -6.964 1.00 44.43 H new ATOM 0 HG13 VAL A 26 14.138 5.182 -6.018 1.00 44.43 H new ATOM 0 HG21 VAL A 26 12.731 2.544 -6.009 1.00 33.32 H new ATOM 0 HG22 VAL A 26 13.463 3.302 -4.575 1.00 33.32 H new ATOM 0 HG23 VAL A 26 11.766 2.767 -4.530 1.00 33.32 H new ATOM 403 N ALA A 27 10.532 7.286 -5.507 1.00 22.43 N ATOM 404 CA ALA A 27 10.259 8.635 -5.995 1.00 22.05 C ATOM 405 C ALA A 27 9.810 9.594 -4.876 1.00 42.23 C ATOM 406 O ALA A 27 9.506 10.761 -5.137 1.00 63.12 O ATOM 407 CB ALA A 27 9.252 8.552 -7.144 1.00 32.31 C ATOM 0 H ALA A 27 9.791 6.616 -5.714 1.00 22.43 H new ATOM 0 HA ALA A 27 11.186 9.067 -6.371 1.00 22.05 H new ATOM 0 HB1 ALA A 27 9.041 9.555 -7.516 1.00 32.31 H new ATOM 0 HB2 ALA A 27 9.668 7.946 -7.949 1.00 32.31 H new ATOM 0 HB3 ALA A 27 8.329 8.096 -6.786 1.00 32.31 H new ATOM 413 N GLY A 28 9.751 9.136 -3.622 1.00 20.31 N ATOM 414 CA GLY A 28 9.456 9.986 -2.480 1.00 54.54 C ATOM 415 C GLY A 28 8.034 10.545 -2.507 1.00 54.30 C ATOM 416 O GLY A 28 7.786 11.607 -1.937 1.00 22.33 O ATOM 0 H GLY A 28 9.908 8.159 -3.376 1.00 20.31 H new ATOM 0 HA2 GLY A 28 9.600 9.416 -1.562 1.00 54.54 H new ATOM 0 HA3 GLY A 28 10.166 10.813 -2.456 1.00 54.54 H new ATOM 420 N LEU A 29 7.081 9.873 -3.162 1.00 35.42 N ATOM 421 CA LEU A 29 5.661 10.221 -3.020 1.00 0.35 C ATOM 422 C LEU A 29 5.282 10.070 -1.552 1.00 15.35 C ATOM 423 O LEU A 29 4.623 10.927 -0.954 1.00 75.14 O ATOM 424 CB LEU A 29 4.766 9.309 -3.854 1.00 71.44 C ATOM 425 CG LEU A 29 5.137 9.353 -5.345 1.00 64.10 C ATOM 426 CD1 LEU A 29 5.768 8.024 -5.741 1.00 63.40 C ATOM 427 CD2 LEU A 29 3.890 9.584 -6.179 1.00 21.14 C ATOM 0 H LEU A 29 7.264 9.091 -3.791 1.00 35.42 H new ATOM 0 HA LEU A 29 5.517 11.243 -3.371 1.00 0.35 H new ATOM 0 HB2 LEU A 29 4.849 8.285 -3.489 1.00 71.44 H new ATOM 0 HB3 LEU A 29 3.725 9.608 -3.729 1.00 71.44 H new ATOM 0 HG LEU A 29 5.842 10.166 -5.519 1.00 64.10 H new ATOM 0 HD11 LEU A 29 6.034 8.048 -6.798 1.00 63.40 H new ATOM 0 HD12 LEU A 29 6.665 7.855 -5.145 1.00 63.40 H new ATOM 0 HD13 LEU A 29 5.057 7.217 -5.564 1.00 63.40 H new ATOM 0 HD21 LEU A 29 4.159 9.614 -7.235 1.00 21.14 H new ATOM 0 HD22 LEU A 29 3.182 8.773 -6.008 1.00 21.14 H new ATOM 0 HD23 LEU A 29 3.432 10.531 -5.894 1.00 21.14 H new ATOM 439 N VAL A 30 5.754 8.969 -0.980 1.00 75.24 N ATOM 440 CA VAL A 30 5.778 8.684 0.438 1.00 3.54 C ATOM 441 C VAL A 30 7.184 8.185 0.804 1.00 35.13 C ATOM 442 O VAL A 30 7.982 7.879 -0.082 1.00 75.13 O ATOM 443 CB VAL A 30 4.642 7.693 0.773 1.00 61.32 C ATOM 444 CG1 VAL A 30 3.355 8.469 1.070 1.00 60.02 C ATOM 445 CG2 VAL A 30 4.337 6.649 -0.315 1.00 31.42 C ATOM 0 H VAL A 30 6.153 8.210 -1.532 1.00 75.24 H new ATOM 0 HA VAL A 30 5.590 9.571 1.043 1.00 3.54 H new ATOM 0 HB VAL A 30 5.001 7.136 1.639 1.00 61.32 H new ATOM 0 HG11 VAL A 30 2.554 7.768 1.306 1.00 60.02 H new ATOM 0 HG12 VAL A 30 3.518 9.133 1.919 1.00 60.02 H new ATOM 0 HG13 VAL A 30 3.076 9.058 0.197 1.00 60.02 H new ATOM 0 HG21 VAL A 30 3.525 6.003 0.018 1.00 31.42 H new ATOM 0 HG22 VAL A 30 4.043 7.156 -1.234 1.00 31.42 H new ATOM 0 HG23 VAL A 30 5.227 6.047 -0.501 1.00 31.42 H new ATOM 455 N ALA A 31 7.490 8.086 2.100 1.00 1.15 N ATOM 456 CA ALA A 31 8.653 7.360 2.609 1.00 31.25 C ATOM 457 C ALA A 31 8.185 5.982 3.054 1.00 73.20 C ATOM 458 O ALA A 31 7.005 5.817 3.347 1.00 61.44 O ATOM 459 CB ALA A 31 9.258 8.080 3.818 1.00 52.53 C ATOM 0 H ALA A 31 6.928 8.515 2.835 1.00 1.15 H new ATOM 0 HA ALA A 31 9.408 7.295 1.826 1.00 31.25 H new ATOM 0 HB1 ALA A 31 10.122 7.522 4.179 1.00 52.53 H new ATOM 0 HB2 ALA A 31 9.571 9.082 3.526 1.00 52.53 H new ATOM 0 HB3 ALA A 31 8.513 8.149 4.611 1.00 52.53 H new ATOM 465 N HIS A 32 9.103 5.025 3.193 1.00 61.24 N ATOM 466 CA HIS A 32 8.791 3.616 3.452 1.00 41.23 C ATOM 467 C HIS A 32 7.995 3.350 4.743 1.00 13.51 C ATOM 468 O HIS A 32 7.561 2.218 4.959 1.00 35.44 O ATOM 469 CB HIS A 32 10.096 2.810 3.451 1.00 64.11 C ATOM 470 CG HIS A 32 10.876 2.965 4.730 1.00 75.23 C ATOM 471 ND1 HIS A 32 10.751 2.156 5.836 1.00 33.05 N ATOM 472 CD2 HIS A 32 11.702 4.006 5.055 1.00 52.53 C ATOM 473 CE1 HIS A 32 11.474 2.717 6.819 1.00 20.33 C ATOM 474 NE2 HIS A 32 12.073 3.842 6.391 1.00 1.22 N ATOM 0 H HIS A 32 10.104 5.209 3.128 1.00 61.24 H new ATOM 0 HA HIS A 32 8.127 3.297 2.649 1.00 41.23 H new ATOM 0 HB2 HIS A 32 9.867 1.756 3.295 1.00 64.11 H new ATOM 0 HB3 HIS A 32 10.715 3.129 2.612 1.00 64.11 H new ATOM 0 HD2 HIS A 32 12.010 4.807 4.399 1.00 52.53 H new ATOM 0 HE1 HIS A 32 11.562 2.318 7.819 1.00 20.33 H new ATOM 0 HE2 HIS A 32 12.679 4.455 6.935 1.00 1.22 H new ATOM 482 N SER A 33 7.832 4.349 5.616 1.00 41.24 N ATOM 483 CA SER A 33 7.129 4.270 6.889 1.00 63.30 C ATOM 484 C SER A 33 6.082 5.389 6.973 1.00 0.53 C ATOM 485 O SER A 33 5.958 6.084 7.982 1.00 15.13 O ATOM 486 CB SER A 33 8.165 4.238 8.032 1.00 13.42 C ATOM 487 OG SER A 33 7.842 3.270 9.014 1.00 55.50 O ATOM 0 H SER A 33 8.208 5.280 5.439 1.00 41.24 H new ATOM 0 HA SER A 33 6.558 3.347 6.984 1.00 63.30 H new ATOM 0 HB2 SER A 33 9.151 4.023 7.621 1.00 13.42 H new ATOM 0 HB3 SER A 33 8.222 5.222 8.498 1.00 13.42 H new ATOM 0 HG SER A 33 8.522 3.280 9.719 1.00 55.50 H new ATOM 493 N ASP A 34 5.358 5.613 5.879 1.00 3.51 N ATOM 494 CA ASP A 34 4.214 6.504 5.732 1.00 52.23 C ATOM 495 C ASP A 34 2.934 5.969 6.373 1.00 61.24 C ATOM 496 O ASP A 34 1.941 6.698 6.467 1.00 61.11 O ATOM 497 CB ASP A 34 3.950 6.685 4.230 1.00 64.24 C ATOM 498 CG ASP A 34 3.505 5.399 3.495 1.00 34.35 C ATOM 499 OD1 ASP A 34 4.181 4.353 3.653 1.00 40.20 O ATOM 500 OD2 ASP A 34 2.529 5.438 2.715 1.00 14.52 O ATOM 0 H ASP A 34 5.575 5.137 5.003 1.00 3.51 H new ATOM 0 HA ASP A 34 4.462 7.437 6.238 1.00 52.23 H new ATOM 0 HB2 ASP A 34 3.182 7.447 4.099 1.00 64.24 H new ATOM 0 HB3 ASP A 34 4.857 7.062 3.758 1.00 64.24 H new ATOM 505 N LEU A 35 2.929 4.706 6.797 1.00 55.32 N ATOM 506 CA LEU A 35 1.716 4.007 7.183 1.00 61.01 C ATOM 507 C LEU A 35 1.548 3.943 8.687 1.00 0.35 C ATOM 508 O LEU A 35 2.513 4.062 9.440 1.00 4.11 O ATOM 509 CB LEU A 35 1.712 2.603 6.573 1.00 54.33 C ATOM 510 CG LEU A 35 1.529 2.588 5.044 1.00 34.21 C ATOM 511 CD1 LEU A 35 1.216 1.161 4.611 1.00 71.34 C ATOM 512 CD2 LEU A 35 0.432 3.529 4.527 1.00 31.21 C ATOM 0 H LEU A 35 3.774 4.141 6.881 1.00 55.32 H new ATOM 0 HA LEU A 35 0.866 4.570 6.796 1.00 61.01 H new ATOM 0 HB2 LEU A 35 2.650 2.107 6.822 1.00 54.33 H new ATOM 0 HB3 LEU A 35 0.912 2.021 7.031 1.00 54.33 H new ATOM 0 HG LEU A 35 2.461 2.953 4.612 1.00 34.21 H new ATOM 0 HD11 LEU A 35 1.083 1.130 3.530 1.00 71.34 H new ATOM 0 HD12 LEU A 35 2.040 0.506 4.894 1.00 71.34 H new ATOM 0 HD13 LEU A 35 0.301 0.825 5.099 1.00 71.34 H new ATOM 0 HD21 LEU A 35 0.371 3.455 3.441 1.00 31.21 H new ATOM 0 HD22 LEU A 35 -0.526 3.246 4.964 1.00 31.21 H new ATOM 0 HD23 LEU A 35 0.670 4.555 4.808 1.00 31.21 H new ATOM 524 N ASP A 36 0.312 3.737 9.125 1.00 20.35 N ATOM 525 CA ASP A 36 -0.041 3.387 10.491 1.00 74.03 C ATOM 526 C ASP A 36 -0.076 1.876 10.630 1.00 52.11 C ATOM 527 O ASP A 36 -0.196 1.141 9.650 1.00 52.12 O ATOM 528 CB ASP A 36 -1.422 3.936 10.862 1.00 32.32 C ATOM 529 CG ASP A 36 -2.541 3.317 10.024 1.00 1.34 C ATOM 530 OD1 ASP A 36 -2.667 3.692 8.839 1.00 12.32 O ATOM 531 OD2 ASP A 36 -3.330 2.498 10.554 1.00 53.30 O ATOM 0 H ASP A 36 -0.501 3.813 8.514 1.00 20.35 H new ATOM 0 HA ASP A 36 0.706 3.821 11.155 1.00 74.03 H new ATOM 0 HB2 ASP A 36 -1.614 3.744 11.918 1.00 32.32 H new ATOM 0 HB3 ASP A 36 -1.428 5.018 10.728 1.00 32.32 H new ATOM 536 N GLU A 37 -0.039 1.436 11.881 1.00 51.34 N ATOM 537 CA GLU A 37 -0.028 0.048 12.327 1.00 34.04 C ATOM 538 C GLU A 37 -1.089 -0.786 11.611 1.00 24.22 C ATOM 539 O GLU A 37 -0.796 -1.862 11.079 1.00 70.14 O ATOM 540 CB GLU A 37 -0.291 0.089 13.836 1.00 34.45 C ATOM 541 CG GLU A 37 -0.635 -1.250 14.503 1.00 71.42 C ATOM 542 CD GLU A 37 -1.138 -0.930 15.914 1.00 51.12 C ATOM 543 OE1 GLU A 37 -0.290 -0.616 16.791 1.00 33.33 O ATOM 544 OE2 GLU A 37 -2.368 -0.813 16.137 1.00 12.13 O ATOM 0 H GLU A 37 -0.014 2.086 12.667 1.00 51.34 H new ATOM 0 HA GLU A 37 0.927 -0.425 12.097 1.00 34.04 H new ATOM 0 HB2 GLU A 37 0.592 0.498 14.326 1.00 34.45 H new ATOM 0 HB3 GLU A 37 -1.110 0.784 14.022 1.00 34.45 H new ATOM 0 HG2 GLU A 37 -1.397 -1.781 13.933 1.00 71.42 H new ATOM 0 HG3 GLU A 37 0.241 -1.897 14.543 1.00 71.42 H new ATOM 551 N ARG A 38 -2.335 -0.307 11.624 1.00 72.21 N ATOM 552 CA ARG A 38 -3.453 -1.083 11.114 1.00 61.44 C ATOM 553 C ARG A 38 -3.482 -1.079 9.593 1.00 41.33 C ATOM 554 O ARG A 38 -4.269 -1.831 9.022 1.00 75.34 O ATOM 555 CB ARG A 38 -4.781 -0.612 11.713 1.00 11.42 C ATOM 556 CG ARG A 38 -4.739 -0.583 13.247 1.00 61.03 C ATOM 557 CD ARG A 38 -6.143 -0.521 13.854 1.00 12.15 C ATOM 558 NE ARG A 38 -6.916 0.631 13.360 1.00 41.50 N ATOM 559 CZ ARG A 38 -8.234 0.685 13.164 1.00 32.12 C ATOM 560 NH1 ARG A 38 -9.003 -0.358 13.437 1.00 72.32 N ATOM 561 NH2 ARG A 38 -8.806 1.787 12.695 1.00 2.11 N ATOM 0 H ARG A 38 -2.589 0.614 11.983 1.00 72.21 H new ATOM 0 HA ARG A 38 -3.310 -2.116 11.429 1.00 61.44 H new ATOM 0 HB2 ARG A 38 -5.016 0.384 11.337 1.00 11.42 H new ATOM 0 HB3 ARG A 38 -5.582 -1.274 11.384 1.00 11.42 H new ATOM 0 HG2 ARG A 38 -4.224 -1.471 13.613 1.00 61.03 H new ATOM 0 HG3 ARG A 38 -4.161 0.280 13.578 1.00 61.03 H new ATOM 0 HD2 ARG A 38 -6.678 -1.442 13.621 1.00 12.15 H new ATOM 0 HD3 ARG A 38 -6.065 -0.464 14.940 1.00 12.15 H new ATOM 0 HE ARG A 38 -6.388 1.477 13.145 1.00 41.50 H new ATOM 0 HH11 ARG A 38 -8.589 -1.216 13.802 1.00 72.32 H new ATOM 0 HH12 ARG A 38 -10.010 -0.304 13.283 1.00 72.32 H new ATOM 0 HH21 ARG A 38 -8.236 2.605 12.480 1.00 2.11 H new ATOM 0 HH22 ARG A 38 -9.815 1.815 12.549 1.00 2.11 H new ATOM 575 N ALA A 39 -2.664 -0.266 8.920 1.00 2.31 N ATOM 576 CA ALA A 39 -2.418 -0.445 7.505 1.00 13.25 C ATOM 577 C ALA A 39 -1.522 -1.667 7.296 1.00 54.52 C ATOM 578 O ALA A 39 -1.893 -2.501 6.475 1.00 14.11 O ATOM 579 CB ALA A 39 -1.873 0.832 6.874 1.00 73.42 C ATOM 0 H ALA A 39 -2.166 0.519 9.340 1.00 2.31 H new ATOM 0 HA ALA A 39 -3.356 -0.642 6.986 1.00 13.25 H new ATOM 0 HB1 ALA A 39 -1.698 0.667 5.811 1.00 73.42 H new ATOM 0 HB2 ALA A 39 -2.596 1.638 7.002 1.00 73.42 H new ATOM 0 HB3 ALA A 39 -0.935 1.105 7.358 1.00 73.42 H new ATOM 585 N ILE A 40 -0.409 -1.833 8.031 1.00 2.12 N ATOM 586 CA ILE A 40 0.399 -3.053 7.937 1.00 0.32 C ATOM 587 C ILE A 40 -0.473 -4.278 8.218 1.00 45.50 C ATOM 588 O ILE A 40 -0.498 -5.210 7.412 1.00 5.21 O ATOM 589 CB ILE A 40 1.637 -3.013 8.856 1.00 43.20 C ATOM 590 CG1 ILE A 40 2.491 -1.772 8.519 1.00 0.34 C ATOM 591 CG2 ILE A 40 2.486 -4.291 8.712 1.00 41.12 C ATOM 592 CD1 ILE A 40 2.383 -0.719 9.603 1.00 3.45 C ATOM 0 H ILE A 40 -0.053 -1.141 8.691 1.00 2.12 H new ATOM 0 HA ILE A 40 0.783 -3.122 6.919 1.00 0.32 H new ATOM 0 HB ILE A 40 1.294 -2.955 9.889 1.00 43.20 H new ATOM 0 HG12 ILE A 40 3.533 -2.067 8.398 1.00 0.34 H new ATOM 0 HG13 ILE A 40 2.166 -1.352 7.567 1.00 0.34 H new ATOM 0 HG21 ILE A 40 3.350 -4.230 9.373 1.00 41.12 H new ATOM 0 HG22 ILE A 40 1.885 -5.160 8.980 1.00 41.12 H new ATOM 0 HG23 ILE A 40 2.824 -4.389 7.680 1.00 41.12 H new ATOM 0 HD11 ILE A 40 2.996 0.142 9.336 1.00 3.45 H new ATOM 0 HD12 ILE A 40 1.344 -0.407 9.705 1.00 3.45 H new ATOM 0 HD13 ILE A 40 2.732 -1.133 10.549 1.00 3.45 H new ATOM 604 N GLU A 41 -1.203 -4.283 9.339 1.00 64.00 N ATOM 605 CA GLU A 41 -2.054 -5.424 9.657 1.00 50.24 C ATOM 606 C GLU A 41 -3.127 -5.690 8.586 1.00 33.21 C ATOM 607 O GLU A 41 -3.360 -6.852 8.250 1.00 1.55 O ATOM 608 CB GLU A 41 -2.655 -5.161 11.035 1.00 50.10 C ATOM 609 CG GLU A 41 -3.791 -6.109 11.419 1.00 10.25 C ATOM 610 CD GLU A 41 -3.701 -6.431 12.911 1.00 54.54 C ATOM 611 OE1 GLU A 41 -3.987 -5.544 13.730 1.00 11.34 O ATOM 612 OE2 GLU A 41 -3.240 -7.552 13.246 1.00 12.22 O ATOM 0 H GLU A 41 -1.220 -3.527 10.024 1.00 64.00 H new ATOM 0 HA GLU A 41 -1.461 -6.338 9.670 1.00 50.24 H new ATOM 0 HB2 GLU A 41 -1.866 -5.237 11.783 1.00 50.10 H new ATOM 0 HB3 GLU A 41 -3.026 -4.137 11.067 1.00 50.10 H new ATOM 0 HG2 GLU A 41 -4.754 -5.651 11.192 1.00 10.25 H new ATOM 0 HG3 GLU A 41 -3.728 -7.026 10.833 1.00 10.25 H new ATOM 619 N ALA A 42 -3.764 -4.658 8.021 1.00 24.35 N ATOM 620 CA ALA A 42 -4.801 -4.854 7.011 1.00 44.32 C ATOM 621 C ALA A 42 -4.225 -5.221 5.634 1.00 72.23 C ATOM 622 O ALA A 42 -4.927 -5.837 4.828 1.00 71.43 O ATOM 623 CB ALA A 42 -5.651 -3.590 6.914 1.00 52.33 C ATOM 0 H ALA A 42 -3.577 -3.681 8.248 1.00 24.35 H new ATOM 0 HA ALA A 42 -5.416 -5.698 7.323 1.00 44.32 H new ATOM 0 HB1 ALA A 42 -6.427 -3.730 6.161 1.00 52.33 H new ATOM 0 HB2 ALA A 42 -6.114 -3.388 7.880 1.00 52.33 H new ATOM 0 HB3 ALA A 42 -5.020 -2.748 6.631 1.00 52.33 H new ATOM 629 N LEU A 43 -2.965 -4.881 5.342 1.00 74.00 N ATOM 630 CA LEU A 43 -2.252 -5.319 4.138 1.00 40.21 C ATOM 631 C LEU A 43 -2.012 -6.824 4.180 1.00 14.41 C ATOM 632 O LEU A 43 -2.023 -7.495 3.144 1.00 61.42 O ATOM 633 CB LEU A 43 -0.902 -4.589 4.008 1.00 40.11 C ATOM 634 CG LEU A 43 -1.040 -3.207 3.359 1.00 22.21 C ATOM 635 CD1 LEU A 43 0.164 -2.322 3.689 1.00 23.44 C ATOM 636 CD2 LEU A 43 -1.174 -3.326 1.836 1.00 33.04 C ATOM 0 H LEU A 43 -2.402 -4.283 5.947 1.00 74.00 H new ATOM 0 HA LEU A 43 -2.871 -5.077 3.274 1.00 40.21 H new ATOM 0 HB2 LEU A 43 -0.456 -4.479 4.996 1.00 40.11 H new ATOM 0 HB3 LEU A 43 -0.219 -5.198 3.416 1.00 40.11 H new ATOM 0 HG LEU A 43 -1.942 -2.749 3.764 1.00 22.21 H new ATOM 0 HD11 LEU A 43 0.040 -1.348 3.216 1.00 23.44 H new ATOM 0 HD12 LEU A 43 0.237 -2.194 4.769 1.00 23.44 H new ATOM 0 HD13 LEU A 43 1.074 -2.793 3.317 1.00 23.44 H new ATOM 0 HD21 LEU A 43 -1.270 -2.331 1.400 1.00 33.04 H new ATOM 0 HD22 LEU A 43 -0.289 -3.816 1.430 1.00 33.04 H new ATOM 0 HD23 LEU A 43 -2.058 -3.916 1.594 1.00 33.04 H new ATOM 648 N LYS A 44 -1.831 -7.366 5.383 1.00 25.01 N ATOM 649 CA LYS A 44 -1.710 -8.794 5.642 1.00 22.41 C ATOM 650 C LYS A 44 -2.970 -9.580 5.254 1.00 12.53 C ATOM 651 O LYS A 44 -2.922 -10.810 5.236 1.00 62.02 O ATOM 652 CB LYS A 44 -1.431 -8.986 7.143 1.00 62.40 C ATOM 653 CG LYS A 44 -0.208 -9.838 7.460 1.00 10.54 C ATOM 654 CD LYS A 44 1.103 -9.037 7.437 1.00 72.00 C ATOM 655 CE LYS A 44 2.105 -9.729 8.353 1.00 24.21 C ATOM 656 NZ LYS A 44 2.532 -11.040 7.813 1.00 44.21 N ATOM 0 H LYS A 44 -1.763 -6.802 6.230 1.00 25.01 H new ATOM 0 HA LYS A 44 -0.896 -9.181 5.029 1.00 22.41 H new ATOM 0 HB2 LYS A 44 -1.303 -8.006 7.603 1.00 62.40 H new ATOM 0 HB3 LYS A 44 -2.305 -9.444 7.605 1.00 62.40 H new ATOM 0 HG2 LYS A 44 -0.333 -10.292 8.443 1.00 10.54 H new ATOM 0 HG3 LYS A 44 -0.143 -10.653 6.739 1.00 10.54 H new ATOM 0 HD2 LYS A 44 1.494 -8.979 6.421 1.00 72.00 H new ATOM 0 HD3 LYS A 44 0.928 -8.014 7.770 1.00 72.00 H new ATOM 0 HE2 LYS A 44 2.978 -9.089 8.486 1.00 24.21 H new ATOM 0 HE3 LYS A 44 1.660 -9.870 9.338 1.00 24.21 H new ATOM 0 HZ1 LYS A 44 3.226 -11.471 8.456 1.00 44.21 H new ATOM 0 HZ2 LYS A 44 1.706 -11.665 7.726 1.00 44.21 H new ATOM 0 HZ3 LYS A 44 2.965 -10.906 6.877 1.00 44.21 H new ATOM 670 N GLU A 45 -4.095 -8.906 4.995 1.00 45.14 N ATOM 671 CA GLU A 45 -5.399 -9.536 4.795 1.00 25.02 C ATOM 672 C GLU A 45 -5.832 -9.562 3.311 1.00 65.33 C ATOM 673 O GLU A 45 -6.927 -10.038 2.997 1.00 12.42 O ATOM 674 CB GLU A 45 -6.441 -8.832 5.680 1.00 34.41 C ATOM 675 CG GLU A 45 -6.181 -8.932 7.195 1.00 23.14 C ATOM 676 CD GLU A 45 -7.371 -8.364 7.969 1.00 63.23 C ATOM 677 OE1 GLU A 45 -8.419 -9.030 8.030 1.00 62.32 O ATOM 678 OE2 GLU A 45 -7.309 -7.194 8.430 1.00 54.11 O ATOM 0 H GLU A 45 -4.123 -7.889 4.918 1.00 45.14 H new ATOM 0 HA GLU A 45 -5.320 -10.582 5.092 1.00 25.02 H new ATOM 0 HB2 GLU A 45 -6.480 -7.779 5.402 1.00 34.41 H new ATOM 0 HB3 GLU A 45 -7.423 -9.255 5.466 1.00 34.41 H new ATOM 0 HG2 GLU A 45 -6.017 -9.972 7.476 1.00 23.14 H new ATOM 0 HG3 GLU A 45 -5.274 -8.385 7.453 1.00 23.14 H new ATOM 685 N PHE A 46 -4.998 -9.090 2.373 1.00 35.33 N ATOM 686 CA PHE A 46 -5.252 -9.179 0.939 1.00 44.20 C ATOM 687 C PHE A 46 -4.516 -10.379 0.353 1.00 14.21 C ATOM 688 O PHE A 46 -3.572 -10.903 0.951 1.00 63.24 O ATOM 689 CB PHE A 46 -4.862 -7.866 0.250 1.00 62.04 C ATOM 690 CG PHE A 46 -5.928 -6.798 0.389 1.00 3.55 C ATOM 691 CD1 PHE A 46 -7.140 -6.927 -0.313 1.00 34.21 C ATOM 692 CD2 PHE A 46 -5.722 -5.680 1.217 1.00 33.41 C ATOM 693 CE1 PHE A 46 -8.142 -5.955 -0.181 1.00 54.33 C ATOM 694 CE2 PHE A 46 -6.707 -4.683 1.307 1.00 15.24 C ATOM 695 CZ PHE A 46 -7.928 -4.830 0.627 1.00 33.21 C ATOM 0 H PHE A 46 -4.116 -8.630 2.599 1.00 35.33 H new ATOM 0 HA PHE A 46 -6.317 -9.331 0.765 1.00 44.20 H new ATOM 0 HB2 PHE A 46 -3.928 -7.500 0.676 1.00 62.04 H new ATOM 0 HB3 PHE A 46 -4.678 -8.055 -0.808 1.00 62.04 H new ATOM 0 HD1 PHE A 46 -7.300 -7.779 -0.957 1.00 34.21 H new ATOM 0 HD2 PHE A 46 -4.807 -5.588 1.783 1.00 33.41 H new ATOM 0 HE1 PHE A 46 -9.080 -6.073 -0.703 1.00 54.33 H new ATOM 0 HE2 PHE A 46 -6.525 -3.800 1.901 1.00 15.24 H new ATOM 0 HZ PHE A 46 -8.698 -4.079 0.727 1.00 33.21 H new ATOM 705 N ASN A 47 -4.974 -10.808 -0.816 1.00 43.11 N ATOM 706 CA ASN A 47 -4.265 -11.707 -1.723 1.00 13.34 C ATOM 707 C ASN A 47 -3.352 -10.910 -2.641 1.00 24.15 C ATOM 708 O ASN A 47 -3.358 -9.681 -2.615 1.00 20.01 O ATOM 709 CB ASN A 47 -5.234 -12.502 -2.608 1.00 73.14 C ATOM 710 CG ASN A 47 -5.975 -11.657 -3.637 1.00 51.51 C ATOM 711 OD1 ASN A 47 -6.557 -10.630 -3.304 1.00 55.34 O ATOM 712 ND2 ASN A 47 -5.977 -12.048 -4.898 1.00 33.32 N ATOM 0 H ASN A 47 -5.887 -10.529 -1.175 1.00 43.11 H new ATOM 0 HA ASN A 47 -3.692 -12.396 -1.102 1.00 13.34 H new ATOM 0 HB2 ASN A 47 -4.677 -13.282 -3.128 1.00 73.14 H new ATOM 0 HB3 ASN A 47 -5.964 -13.002 -1.971 1.00 73.14 H new ATOM 0 HD21 ASN A 47 -6.465 -11.495 -5.603 1.00 33.32 H new ATOM 0 HD22 ASN A 47 -5.491 -12.903 -5.168 1.00 33.32 H new ATOM 719 N GLU A 48 -2.635 -11.644 -3.485 1.00 63.14 N ATOM 720 CA GLU A 48 -1.702 -11.172 -4.477 1.00 2.31 C ATOM 721 C GLU A 48 -2.366 -10.112 -5.365 1.00 2.44 C ATOM 722 O GLU A 48 -2.010 -8.937 -5.296 1.00 54.23 O ATOM 723 CB GLU A 48 -1.230 -12.412 -5.259 1.00 64.23 C ATOM 724 CG GLU A 48 0.075 -12.129 -5.995 1.00 24.01 C ATOM 725 CD GLU A 48 0.410 -13.144 -7.121 1.00 31.45 C ATOM 726 OE1 GLU A 48 -0.496 -13.850 -7.607 1.00 31.11 O ATOM 727 OE2 GLU A 48 1.559 -13.191 -7.609 1.00 51.12 O ATOM 0 H GLU A 48 -2.703 -12.662 -3.485 1.00 63.14 H new ATOM 0 HA GLU A 48 -0.838 -10.679 -4.032 1.00 2.31 H new ATOM 0 HB2 GLU A 48 -1.091 -13.248 -4.573 1.00 64.23 H new ATOM 0 HB3 GLU A 48 -1.997 -12.710 -5.973 1.00 64.23 H new ATOM 0 HG2 GLU A 48 0.025 -11.129 -6.427 1.00 24.01 H new ATOM 0 HG3 GLU A 48 0.891 -12.124 -5.273 1.00 24.01 H new ATOM 734 N ASP A 49 -3.346 -10.507 -6.185 1.00 75.12 N ATOM 735 CA ASP A 49 -3.945 -9.612 -7.176 1.00 15.55 C ATOM 736 C ASP A 49 -4.708 -8.465 -6.516 1.00 24.25 C ATOM 737 O ASP A 49 -4.712 -7.352 -7.046 1.00 74.22 O ATOM 738 CB ASP A 49 -4.897 -10.370 -8.104 1.00 62.24 C ATOM 739 CG ASP A 49 -5.294 -9.507 -9.305 1.00 35.41 C ATOM 740 OD1 ASP A 49 -4.381 -9.028 -10.011 1.00 62.24 O ATOM 741 OD2 ASP A 49 -6.509 -9.296 -9.540 1.00 13.43 O ATOM 0 H ASP A 49 -3.742 -11.447 -6.180 1.00 75.12 H new ATOM 0 HA ASP A 49 -3.121 -9.200 -7.758 1.00 15.55 H new ATOM 0 HB2 ASP A 49 -4.419 -11.286 -8.452 1.00 62.24 H new ATOM 0 HB3 ASP A 49 -5.790 -10.665 -7.553 1.00 62.24 H new ATOM 746 N GLY A 50 -5.331 -8.726 -5.359 1.00 52.24 N ATOM 747 CA GLY A 50 -6.045 -7.705 -4.618 1.00 43.50 C ATOM 748 C GLY A 50 -5.081 -6.605 -4.207 1.00 21.31 C ATOM 749 O GLY A 50 -5.228 -5.460 -4.633 1.00 11.55 O ATOM 0 H GLY A 50 -5.348 -9.647 -4.922 1.00 52.24 H new ATOM 0 HA2 GLY A 50 -6.846 -7.290 -5.230 1.00 43.50 H new ATOM 0 HA3 GLY A 50 -6.512 -8.142 -3.735 1.00 43.50 H new ATOM 753 N ALA A 51 -4.050 -6.969 -3.437 1.00 40.24 N ATOM 754 CA ALA A 51 -3.002 -6.054 -3.013 1.00 34.15 C ATOM 755 C ALA A 51 -2.391 -5.297 -4.197 1.00 51.13 C ATOM 756 O ALA A 51 -2.218 -4.083 -4.098 1.00 71.31 O ATOM 757 CB ALA A 51 -1.934 -6.817 -2.226 1.00 11.12 C ATOM 0 H ALA A 51 -3.925 -7.920 -3.090 1.00 40.24 H new ATOM 0 HA ALA A 51 -3.448 -5.303 -2.361 1.00 34.15 H new ATOM 0 HB1 ALA A 51 -1.152 -6.127 -1.911 1.00 11.12 H new ATOM 0 HB2 ALA A 51 -2.388 -7.276 -1.348 1.00 11.12 H new ATOM 0 HB3 ALA A 51 -1.501 -7.592 -2.858 1.00 11.12 H new ATOM 763 N LEU A 52 -2.076 -5.977 -5.307 1.00 14.21 N ATOM 764 CA LEU A 52 -1.484 -5.346 -6.486 1.00 53.24 C ATOM 765 C LEU A 52 -2.398 -4.270 -7.072 1.00 33.44 C ATOM 766 O LEU A 52 -1.892 -3.238 -7.523 1.00 31.41 O ATOM 767 CB LEU A 52 -1.134 -6.398 -7.561 1.00 52.20 C ATOM 768 CG LEU A 52 0.328 -6.880 -7.571 1.00 74.11 C ATOM 769 CD1 LEU A 52 1.294 -5.769 -7.994 1.00 74.41 C ATOM 770 CD2 LEU A 52 0.793 -7.451 -6.228 1.00 40.24 C ATOM 0 H LEU A 52 -2.226 -6.981 -5.410 1.00 14.21 H new ATOM 0 HA LEU A 52 -0.563 -4.861 -6.162 1.00 53.24 H new ATOM 0 HB2 LEU A 52 -1.782 -7.263 -7.421 1.00 52.20 H new ATOM 0 HB3 LEU A 52 -1.367 -5.981 -8.541 1.00 52.20 H new ATOM 0 HG LEU A 52 0.347 -7.685 -8.306 1.00 74.11 H new ATOM 0 HD11 LEU A 52 2.314 -6.152 -7.987 1.00 74.41 H new ATOM 0 HD12 LEU A 52 1.040 -5.429 -8.998 1.00 74.41 H new ATOM 0 HD13 LEU A 52 1.215 -4.934 -7.298 1.00 74.41 H new ATOM 0 HD21 LEU A 52 1.832 -7.771 -6.309 1.00 40.24 H new ATOM 0 HD22 LEU A 52 0.708 -6.684 -5.458 1.00 40.24 H new ATOM 0 HD23 LEU A 52 0.170 -8.305 -5.960 1.00 40.24 H new ATOM 782 N ALA A 53 -3.717 -4.480 -7.066 1.00 15.12 N ATOM 783 CA ALA A 53 -4.656 -3.452 -7.496 1.00 15.23 C ATOM 784 C ALA A 53 -4.636 -2.269 -6.518 1.00 41.44 C ATOM 785 O ALA A 53 -4.513 -1.125 -6.962 1.00 73.11 O ATOM 786 CB ALA A 53 -6.052 -4.062 -7.643 1.00 42.34 C ATOM 0 H ALA A 53 -4.154 -5.352 -6.768 1.00 15.12 H new ATOM 0 HA ALA A 53 -4.359 -3.064 -8.470 1.00 15.23 H new ATOM 0 HB1 ALA A 53 -6.753 -3.292 -7.965 1.00 42.34 H new ATOM 0 HB2 ALA A 53 -6.024 -4.860 -8.385 1.00 42.34 H new ATOM 0 HB3 ALA A 53 -6.374 -4.469 -6.684 1.00 42.34 H new ATOM 792 N VAL A 54 -4.681 -2.523 -5.202 1.00 44.32 N ATOM 793 CA VAL A 54 -4.654 -1.452 -4.196 1.00 73.02 C ATOM 794 C VAL A 54 -3.392 -0.588 -4.354 1.00 3.23 C ATOM 795 O VAL A 54 -3.467 0.632 -4.241 1.00 4.25 O ATOM 796 CB VAL A 54 -4.762 -2.009 -2.751 1.00 52.12 C ATOM 797 CG1 VAL A 54 -5.044 -0.897 -1.732 1.00 60.10 C ATOM 798 CG2 VAL A 54 -5.849 -3.093 -2.577 1.00 11.54 C ATOM 0 H VAL A 54 -4.736 -3.463 -4.809 1.00 44.32 H new ATOM 0 HA VAL A 54 -5.529 -0.825 -4.367 1.00 73.02 H new ATOM 0 HB VAL A 54 -3.788 -2.464 -2.568 1.00 52.12 H new ATOM 0 HG11 VAL A 54 -5.112 -1.328 -0.733 1.00 60.10 H new ATOM 0 HG12 VAL A 54 -4.235 -0.166 -1.758 1.00 60.10 H new ATOM 0 HG13 VAL A 54 -5.985 -0.406 -1.981 1.00 60.10 H new ATOM 0 HG21 VAL A 54 -5.862 -3.432 -1.541 1.00 11.54 H new ATOM 0 HG22 VAL A 54 -6.823 -2.677 -2.835 1.00 11.54 H new ATOM 0 HG23 VAL A 54 -5.630 -3.936 -3.232 1.00 11.54 H new ATOM 808 N LEU A 55 -2.237 -1.206 -4.623 1.00 42.10 N ATOM 809 CA LEU A 55 -0.946 -0.528 -4.751 1.00 61.34 C ATOM 810 C LEU A 55 -0.993 0.454 -5.906 1.00 75.40 C ATOM 811 O LEU A 55 -0.627 1.621 -5.760 1.00 14.32 O ATOM 812 CB LEU A 55 0.197 -1.518 -5.041 1.00 2.12 C ATOM 813 CG LEU A 55 0.702 -2.347 -3.854 1.00 40.43 C ATOM 814 CD1 LEU A 55 1.857 -3.213 -4.355 1.00 22.31 C ATOM 815 CD2 LEU A 55 1.195 -1.476 -2.703 1.00 72.30 C ATOM 0 H LEU A 55 -2.174 -2.215 -4.761 1.00 42.10 H new ATOM 0 HA LEU A 55 -0.758 -0.024 -3.803 1.00 61.34 H new ATOM 0 HB2 LEU A 55 -0.136 -2.204 -5.820 1.00 2.12 H new ATOM 0 HB3 LEU A 55 1.039 -0.958 -5.448 1.00 2.12 H new ATOM 0 HG LEU A 55 -0.124 -2.947 -3.471 1.00 40.43 H new ATOM 0 HD11 LEU A 55 2.241 -3.818 -3.534 1.00 22.31 H new ATOM 0 HD12 LEU A 55 1.503 -3.867 -5.152 1.00 22.31 H new ATOM 0 HD13 LEU A 55 2.652 -2.573 -4.737 1.00 22.31 H new ATOM 0 HD21 LEU A 55 1.541 -2.112 -1.888 1.00 72.30 H new ATOM 0 HD22 LEU A 55 2.017 -0.848 -3.048 1.00 72.30 H new ATOM 0 HD23 LEU A 55 0.380 -0.845 -2.349 1.00 72.30 H new ATOM 827 N GLN A 56 -1.473 -0.033 -7.051 1.00 61.22 N ATOM 828 CA GLN A 56 -1.655 0.785 -8.224 1.00 60.33 C ATOM 829 C GLN A 56 -2.577 1.944 -7.884 1.00 61.03 C ATOM 830 O GLN A 56 -2.223 3.081 -8.162 1.00 63.33 O ATOM 831 CB GLN A 56 -2.217 -0.067 -9.362 1.00 62.40 C ATOM 832 CG GLN A 56 -2.374 0.748 -10.649 1.00 60.03 C ATOM 833 CD GLN A 56 -2.818 -0.169 -11.780 1.00 33.24 C ATOM 834 OE1 GLN A 56 -2.054 -1.014 -12.235 1.00 40.53 O ATOM 835 NE2 GLN A 56 -4.058 -0.054 -12.227 1.00 20.12 N ATOM 0 H GLN A 56 -1.743 -1.008 -7.179 1.00 61.22 H new ATOM 0 HA GLN A 56 -0.700 1.193 -8.554 1.00 60.33 H new ATOM 0 HB2 GLN A 56 -1.555 -0.914 -9.545 1.00 62.40 H new ATOM 0 HB3 GLN A 56 -3.184 -0.476 -9.069 1.00 62.40 H new ATOM 0 HG2 GLN A 56 -3.106 1.542 -10.502 1.00 60.03 H new ATOM 0 HG3 GLN A 56 -1.430 1.228 -10.905 1.00 60.03 H new ATOM 0 HE21 GLN A 56 -4.678 0.655 -11.835 1.00 20.12 H new ATOM 0 HE22 GLN A 56 -4.394 -0.675 -12.963 1.00 20.12 H new ATOM 844 N GLN A 57 -3.748 1.675 -7.307 1.00 32.42 N ATOM 845 CA GLN A 57 -4.765 2.705 -7.127 1.00 74.34 C ATOM 846 C GLN A 57 -4.344 3.737 -6.075 1.00 31.03 C ATOM 847 O GLN A 57 -4.749 4.900 -6.135 1.00 40.20 O ATOM 848 CB GLN A 57 -6.103 2.029 -6.808 1.00 71.40 C ATOM 849 CG GLN A 57 -7.288 2.997 -6.948 1.00 35.15 C ATOM 850 CD GLN A 57 -8.586 2.247 -7.224 1.00 31.35 C ATOM 851 OE1 GLN A 57 -8.940 2.011 -8.379 1.00 33.44 O ATOM 852 NE2 GLN A 57 -9.318 1.884 -6.184 1.00 21.42 N ATOM 0 H GLN A 57 -4.013 0.754 -6.958 1.00 32.42 H new ATOM 0 HA GLN A 57 -4.883 3.272 -8.050 1.00 74.34 H new ATOM 0 HB2 GLN A 57 -6.248 1.180 -7.476 1.00 71.40 H new ATOM 0 HB3 GLN A 57 -6.076 1.634 -5.792 1.00 71.40 H new ATOM 0 HG2 GLN A 57 -7.391 3.583 -6.035 1.00 35.15 H new ATOM 0 HG3 GLN A 57 -7.092 3.700 -7.758 1.00 35.15 H new ATOM 0 HE21 GLN A 57 -8.999 2.093 -5.238 1.00 21.42 H new ATOM 0 HE22 GLN A 57 -10.201 1.395 -6.328 1.00 21.42 H new ATOM 861 N PHE A 58 -3.488 3.333 -5.134 1.00 40.20 N ATOM 862 CA PHE A 58 -2.796 4.229 -4.220 1.00 71.12 C ATOM 863 C PHE A 58 -1.909 5.157 -5.051 1.00 61.42 C ATOM 864 O PHE A 58 -2.211 6.347 -5.111 1.00 11.23 O ATOM 865 CB PHE A 58 -2.043 3.407 -3.158 1.00 24.45 C ATOM 866 CG PHE A 58 -1.268 4.209 -2.126 1.00 13.41 C ATOM 867 CD1 PHE A 58 -1.934 5.129 -1.294 1.00 0.41 C ATOM 868 CD2 PHE A 58 0.107 3.974 -1.936 1.00 73.00 C ATOM 869 CE1 PHE A 58 -1.230 5.815 -0.289 1.00 42.33 C ATOM 870 CE2 PHE A 58 0.808 4.659 -0.931 1.00 12.14 C ATOM 871 CZ PHE A 58 0.142 5.580 -0.106 1.00 44.44 C ATOM 0 H PHE A 58 -3.255 2.351 -4.987 1.00 40.20 H new ATOM 0 HA PHE A 58 -3.486 4.860 -3.660 1.00 71.12 H new ATOM 0 HB2 PHE A 58 -2.763 2.778 -2.635 1.00 24.45 H new ATOM 0 HB3 PHE A 58 -1.348 2.740 -3.668 1.00 24.45 H new ATOM 0 HD1 PHE A 58 -2.990 5.309 -1.428 1.00 0.41 H new ATOM 0 HD2 PHE A 58 0.624 3.265 -2.565 1.00 73.00 H new ATOM 0 HE1 PHE A 58 -1.745 6.523 0.343 1.00 42.33 H new ATOM 0 HE2 PHE A 58 1.863 4.477 -0.792 1.00 12.14 H new ATOM 0 HZ PHE A 58 0.683 6.106 0.667 1.00 44.44 H new ATOM 881 N LYS A 59 -0.855 4.637 -5.698 1.00 31.02 N ATOM 882 CA LYS A 59 0.073 5.419 -6.528 1.00 71.14 C ATOM 883 C LYS A 59 -0.675 6.316 -7.516 1.00 31.24 C ATOM 884 O LYS A 59 -0.232 7.431 -7.780 1.00 3.55 O ATOM 885 CB LYS A 59 1.025 4.459 -7.271 1.00 52.41 C ATOM 886 CG LYS A 59 1.822 5.117 -8.413 1.00 22.12 C ATOM 887 CD LYS A 59 2.904 6.132 -8.012 1.00 51.41 C ATOM 888 CE LYS A 59 4.210 5.497 -7.510 1.00 11.13 C ATOM 889 NZ LYS A 59 4.904 4.695 -8.547 1.00 12.24 N ATOM 0 H LYS A 59 -0.620 3.645 -5.658 1.00 31.02 H new ATOM 0 HA LYS A 59 0.653 6.074 -5.878 1.00 71.14 H new ATOM 0 HB2 LYS A 59 1.726 4.033 -6.553 1.00 52.41 H new ATOM 0 HB3 LYS A 59 0.443 3.632 -7.679 1.00 52.41 H new ATOM 0 HG2 LYS A 59 2.297 4.327 -8.994 1.00 22.12 H new ATOM 0 HG3 LYS A 59 1.115 5.618 -9.075 1.00 22.12 H new ATOM 0 HD2 LYS A 59 3.128 6.765 -8.870 1.00 51.41 H new ATOM 0 HD3 LYS A 59 2.506 6.781 -7.232 1.00 51.41 H new ATOM 0 HE2 LYS A 59 4.878 6.284 -7.160 1.00 11.13 H new ATOM 0 HE3 LYS A 59 3.991 4.860 -6.653 1.00 11.13 H new ATOM 0 HZ1 LYS A 59 5.864 4.463 -8.222 1.00 12.24 H new ATOM 0 HZ2 LYS A 59 4.375 3.816 -8.718 1.00 12.24 H new ATOM 0 HZ3 LYS A 59 4.960 5.242 -9.429 1.00 12.24 H new ATOM 903 N ASP A 60 -1.785 5.845 -8.074 1.00 54.30 N ATOM 904 CA ASP A 60 -2.590 6.546 -9.064 1.00 51.50 C ATOM 905 C ASP A 60 -3.388 7.713 -8.468 1.00 14.33 C ATOM 906 O ASP A 60 -4.469 8.034 -8.957 1.00 60.13 O ATOM 907 CB ASP A 60 -3.516 5.530 -9.741 1.00 22.05 C ATOM 908 CG ASP A 60 -3.918 5.996 -11.128 1.00 15.25 C ATOM 909 OD1 ASP A 60 -3.023 6.098 -11.988 1.00 44.14 O ATOM 910 OD2 ASP A 60 -5.132 6.094 -11.420 1.00 24.12 O ATOM 0 H ASP A 60 -2.162 4.927 -7.838 1.00 54.30 H new ATOM 0 HA ASP A 60 -1.921 6.995 -9.798 1.00 51.50 H new ATOM 0 HB2 ASP A 60 -3.014 4.565 -9.810 1.00 22.05 H new ATOM 0 HB3 ASP A 60 -4.407 5.383 -9.131 1.00 22.05 H new ATOM 915 N SER A 61 -2.914 8.337 -7.392 1.00 44.33 N ATOM 916 CA SER A 61 -3.519 9.485 -6.743 1.00 51.30 C ATOM 917 C SER A 61 -2.411 10.431 -6.269 1.00 54.22 C ATOM 918 O SER A 61 -1.273 10.013 -6.042 1.00 11.52 O ATOM 919 CB SER A 61 -4.370 9.015 -5.566 1.00 54.54 C ATOM 920 OG SER A 61 -5.268 7.959 -5.898 1.00 51.52 O ATOM 0 H SER A 61 -2.055 8.037 -6.931 1.00 44.33 H new ATOM 0 HA SER A 61 -4.163 10.017 -7.443 1.00 51.30 H new ATOM 0 HB2 SER A 61 -3.713 8.683 -4.763 1.00 54.54 H new ATOM 0 HB3 SER A 61 -4.942 9.860 -5.181 1.00 54.54 H new ATOM 0 HG SER A 61 -4.780 7.109 -5.919 1.00 51.52 H new ATOM 926 N ASP A 62 -2.756 11.700 -6.075 1.00 52.33 N ATOM 927 CA ASP A 62 -1.878 12.856 -6.151 1.00 40.51 C ATOM 928 C ASP A 62 -1.810 13.500 -4.773 1.00 72.33 C ATOM 929 O ASP A 62 -2.473 14.479 -4.430 1.00 24.33 O ATOM 930 CB ASP A 62 -2.223 13.836 -7.301 1.00 62.12 C ATOM 931 CG ASP A 62 -3.460 13.565 -8.160 1.00 60.44 C ATOM 932 OD1 ASP A 62 -4.512 13.134 -7.643 1.00 63.30 O ATOM 933 OD2 ASP A 62 -3.360 13.720 -9.398 1.00 22.31 O ATOM 0 H ASP A 62 -3.715 11.961 -5.847 1.00 52.33 H new ATOM 0 HA ASP A 62 -0.877 12.523 -6.427 1.00 40.51 H new ATOM 0 HB2 ASP A 62 -2.336 14.828 -6.865 1.00 62.12 H new ATOM 0 HB3 ASP A 62 -1.362 13.877 -7.968 1.00 62.12 H new ATOM 938 N LEU A 63 -0.985 12.864 -3.952 1.00 0.35 N ATOM 939 CA LEU A 63 -0.893 13.012 -2.503 1.00 54.32 C ATOM 940 C LEU A 63 -0.261 14.322 -2.020 1.00 74.41 C ATOM 941 O LEU A 63 -0.126 14.491 -0.809 1.00 11.44 O ATOM 942 CB LEU A 63 -0.034 11.852 -1.984 1.00 23.42 C ATOM 943 CG LEU A 63 -0.729 10.486 -2.055 1.00 33.11 C ATOM 944 CD1 LEU A 63 0.348 9.431 -1.840 1.00 14.54 C ATOM 945 CD2 LEU A 63 -1.859 10.367 -1.021 1.00 24.21 C ATOM 0 H LEU A 63 -0.314 12.182 -4.305 1.00 0.35 H new ATOM 0 HA LEU A 63 -1.914 13.015 -2.122 1.00 54.32 H new ATOM 0 HB2 LEU A 63 0.890 11.810 -2.561 1.00 23.42 H new ATOM 0 HB3 LEU A 63 0.245 12.054 -0.950 1.00 23.42 H new ATOM 0 HG LEU A 63 -1.208 10.351 -3.025 1.00 33.11 H new ATOM 0 HD11 LEU A 63 -0.101 8.439 -1.882 1.00 14.54 H new ATOM 0 HD12 LEU A 63 1.105 9.520 -2.619 1.00 14.54 H new ATOM 0 HD13 LEU A 63 0.812 9.578 -0.865 1.00 14.54 H new ATOM 0 HD21 LEU A 63 -2.326 9.386 -1.104 1.00 24.21 H new ATOM 0 HD22 LEU A 63 -1.449 10.491 -0.019 1.00 24.21 H new ATOM 0 HD23 LEU A 63 -2.605 11.140 -1.206 1.00 24.21 H new ATOM 957 N SER A 64 0.160 15.223 -2.910 1.00 61.12 N ATOM 958 CA SER A 64 1.068 16.310 -2.555 1.00 74.43 C ATOM 959 C SER A 64 0.501 17.161 -1.411 1.00 35.32 C ATOM 960 O SER A 64 1.206 17.413 -0.432 1.00 52.31 O ATOM 961 CB SER A 64 1.402 17.135 -3.803 1.00 11.52 C ATOM 962 OG SER A 64 2.641 17.784 -3.620 1.00 62.42 O ATOM 0 H SER A 64 -0.118 15.218 -3.891 1.00 61.12 H new ATOM 0 HA SER A 64 2.001 15.890 -2.179 1.00 74.43 H new ATOM 0 HB2 SER A 64 1.444 16.488 -4.679 1.00 11.52 H new ATOM 0 HB3 SER A 64 0.618 17.870 -3.987 1.00 11.52 H new ATOM 0 HG SER A 64 2.856 18.310 -4.418 1.00 62.42 H new ATOM 968 N HIS A 65 -0.782 17.530 -1.478 1.00 13.23 N ATOM 969 CA HIS A 65 -1.479 18.230 -0.406 1.00 22.35 C ATOM 970 C HIS A 65 -2.439 17.247 0.281 1.00 3.23 C ATOM 971 O HIS A 65 -3.661 17.408 0.226 1.00 71.00 O ATOM 972 CB HIS A 65 -2.184 19.482 -0.953 1.00 21.32 C ATOM 973 CG HIS A 65 -1.319 20.525 -1.624 1.00 51.13 C ATOM 974 ND1 HIS A 65 -1.816 21.538 -2.406 1.00 44.21 N ATOM 975 CD2 HIS A 65 0.043 20.670 -1.591 1.00 4.55 C ATOM 976 CE1 HIS A 65 -0.794 22.277 -2.852 1.00 32.04 C ATOM 977 NE2 HIS A 65 0.369 21.777 -2.392 1.00 52.24 N ATOM 0 H HIS A 65 -1.369 17.346 -2.291 1.00 13.23 H new ATOM 0 HA HIS A 65 -0.773 18.586 0.345 1.00 22.35 H new ATOM 0 HB2 HIS A 65 -2.940 19.158 -1.669 1.00 21.32 H new ATOM 0 HB3 HIS A 65 -2.711 19.961 -0.128 1.00 21.32 H new ATOM 0 HD2 HIS A 65 0.739 20.047 -1.048 1.00 4.55 H new ATOM 0 HE1 HIS A 65 -0.888 23.146 -3.487 1.00 32.04 H new ATOM 0 HE2 HIS A 65 1.305 22.133 -2.587 1.00 52.24 H new ATOM 985 N VAL A 66 -1.893 16.205 0.912 1.00 53.33 N ATOM 986 CA VAL A 66 -2.611 15.284 1.792 1.00 40.10 C ATOM 987 C VAL A 66 -1.776 15.145 3.065 1.00 53.20 C ATOM 988 O VAL A 66 -0.594 14.810 3.009 1.00 51.34 O ATOM 989 CB VAL A 66 -2.861 13.922 1.101 1.00 23.41 C ATOM 990 CG1 VAL A 66 -3.575 12.941 2.045 1.00 43.52 C ATOM 991 CG2 VAL A 66 -3.711 14.071 -0.170 1.00 42.31 C ATOM 0 H VAL A 66 -0.904 15.972 0.820 1.00 53.33 H new ATOM 0 HA VAL A 66 -3.601 15.670 2.036 1.00 40.10 H new ATOM 0 HB VAL A 66 -1.879 13.533 0.833 1.00 23.41 H new ATOM 0 HG11 VAL A 66 -3.737 11.994 1.531 1.00 43.52 H new ATOM 0 HG12 VAL A 66 -2.960 12.774 2.929 1.00 43.52 H new ATOM 0 HG13 VAL A 66 -4.536 13.359 2.345 1.00 43.52 H new ATOM 0 HG21 VAL A 66 -3.862 13.091 -0.623 1.00 42.31 H new ATOM 0 HG22 VAL A 66 -4.677 14.505 0.087 1.00 42.31 H new ATOM 0 HG23 VAL A 66 -3.197 14.722 -0.877 1.00 42.31 H new ATOM 1001 N GLN A 67 -2.374 15.409 4.223 1.00 2.32 N ATOM 1002 CA GLN A 67 -1.716 15.286 5.521 1.00 24.32 C ATOM 1003 C GLN A 67 -1.374 13.811 5.774 1.00 63.32 C ATOM 1004 O GLN A 67 -0.231 13.456 6.068 1.00 33.34 O ATOM 1005 CB GLN A 67 -2.585 15.830 6.684 1.00 35.15 C ATOM 1006 CG GLN A 67 -3.633 16.918 6.380 1.00 43.14 C ATOM 1007 CD GLN A 67 -4.825 16.382 5.585 1.00 64.03 C ATOM 1008 OE1 GLN A 67 -4.933 16.635 4.390 1.00 35.04 O ATOM 1009 NE2 GLN A 67 -5.664 15.560 6.187 1.00 72.24 N ATOM 0 H GLN A 67 -3.344 15.719 4.288 1.00 2.32 H new ATOM 0 HA GLN A 67 -0.810 15.891 5.491 1.00 24.32 H new ATOM 0 HB2 GLN A 67 -3.107 14.984 7.130 1.00 35.15 H new ATOM 0 HB3 GLN A 67 -1.910 16.224 7.444 1.00 35.15 H new ATOM 0 HG2 GLN A 67 -3.989 17.346 7.317 1.00 43.14 H new ATOM 0 HG3 GLN A 67 -3.161 17.725 5.820 1.00 43.14 H new ATOM 0 HE21 GLN A 67 -5.558 15.362 7.182 1.00 72.24 H new ATOM 0 HE22 GLN A 67 -6.418 15.123 5.657 1.00 72.24 H new ATOM 1018 N ASN A 68 -2.385 12.945 5.680 1.00 43.31 N ATOM 1019 CA ASN A 68 -2.440 11.631 6.309 1.00 60.24 C ATOM 1020 C ASN A 68 -2.464 10.529 5.256 1.00 75.32 C ATOM 1021 O ASN A 68 -3.447 9.816 5.065 1.00 35.45 O ATOM 1022 CB ASN A 68 -3.603 11.545 7.314 1.00 41.12 C ATOM 1023 CG ASN A 68 -4.985 11.927 6.784 1.00 3.44 C ATOM 1024 OD1 ASN A 68 -5.133 12.533 5.729 1.00 34.32 O ATOM 1025 ND2 ASN A 68 -6.016 11.660 7.566 1.00 14.23 N ATOM 0 H ASN A 68 -3.224 13.153 5.138 1.00 43.31 H new ATOM 0 HA ASN A 68 -1.531 11.479 6.891 1.00 60.24 H new ATOM 0 HB2 ASN A 68 -3.652 10.525 7.694 1.00 41.12 H new ATOM 0 HB3 ASN A 68 -3.371 12.190 8.162 1.00 41.12 H new ATOM 0 HD21 ASN A 68 -6.953 11.959 7.295 1.00 14.23 H new ATOM 0 HD22 ASN A 68 -5.875 11.155 8.441 1.00 14.23 H new ATOM 1032 N LYS A 69 -1.305 10.353 4.620 1.00 31.02 N ATOM 1033 CA LYS A 69 -1.011 9.364 3.578 1.00 62.04 C ATOM 1034 C LYS A 69 -1.500 7.957 3.936 1.00 31.23 C ATOM 1035 O LYS A 69 -1.973 7.217 3.081 1.00 63.20 O ATOM 1036 CB LYS A 69 0.515 9.359 3.333 1.00 41.20 C ATOM 1037 CG LYS A 69 1.147 10.752 3.108 1.00 64.11 C ATOM 1038 CD LYS A 69 0.504 11.443 1.907 1.00 61.13 C ATOM 1039 CE LYS A 69 1.041 12.848 1.607 1.00 4.51 C ATOM 1040 NZ LYS A 69 2.365 12.930 0.958 1.00 53.42 N ATOM 0 H LYS A 69 -0.494 10.934 4.831 1.00 31.02 H new ATOM 0 HA LYS A 69 -1.549 9.648 2.674 1.00 62.04 H new ATOM 0 HB2 LYS A 69 1.003 8.889 4.187 1.00 41.20 H new ATOM 0 HB3 LYS A 69 0.726 8.737 2.463 1.00 41.20 H new ATOM 0 HG2 LYS A 69 1.018 11.365 4.000 1.00 64.11 H new ATOM 0 HG3 LYS A 69 2.220 10.649 2.945 1.00 64.11 H new ATOM 0 HD2 LYS A 69 0.650 10.818 1.026 1.00 61.13 H new ATOM 0 HD3 LYS A 69 -0.571 11.509 2.077 1.00 61.13 H new ATOM 0 HE2 LYS A 69 0.319 13.359 0.971 1.00 4.51 H new ATOM 0 HE3 LYS A 69 1.087 13.401 2.545 1.00 4.51 H new ATOM 0 HZ1 LYS A 69 2.617 13.928 0.808 1.00 53.42 H new ATOM 0 HZ2 LYS A 69 3.078 12.480 1.567 1.00 53.42 H new ATOM 0 HZ3 LYS A 69 2.333 12.440 0.041 1.00 53.42 H new ATOM 1054 N SER A 70 -1.395 7.611 5.209 1.00 52.53 N ATOM 1055 CA SER A 70 -1.795 6.329 5.768 1.00 62.04 C ATOM 1056 C SER A 70 -3.306 6.121 5.642 1.00 42.20 C ATOM 1057 O SER A 70 -3.758 5.095 5.135 1.00 31.45 O ATOM 1058 CB SER A 70 -1.362 6.237 7.239 1.00 55.24 C ATOM 1059 OG SER A 70 -0.382 7.214 7.596 1.00 60.32 O ATOM 0 H SER A 70 -1.012 8.243 5.912 1.00 52.53 H new ATOM 0 HA SER A 70 -1.299 5.540 5.203 1.00 62.04 H new ATOM 0 HB2 SER A 70 -2.237 6.358 7.878 1.00 55.24 H new ATOM 0 HB3 SER A 70 -0.962 5.242 7.432 1.00 55.24 H new ATOM 0 HG SER A 70 0.350 7.197 6.944 1.00 60.32 H new ATOM 1065 N ALA A 71 -4.088 7.115 6.079 1.00 13.41 N ATOM 1066 CA ALA A 71 -5.541 7.061 6.026 1.00 51.40 C ATOM 1067 C ALA A 71 -6.024 7.025 4.578 1.00 60.42 C ATOM 1068 O ALA A 71 -7.032 6.380 4.296 1.00 61.04 O ATOM 1069 CB ALA A 71 -6.139 8.259 6.769 1.00 1.11 C ATOM 0 H ALA A 71 -3.723 7.979 6.479 1.00 13.41 H new ATOM 0 HA ALA A 71 -5.876 6.147 6.516 1.00 51.40 H new ATOM 0 HB1 ALA A 71 -7.227 8.209 6.723 1.00 1.11 H new ATOM 0 HB2 ALA A 71 -5.818 8.238 7.810 1.00 1.11 H new ATOM 0 HB3 ALA A 71 -5.798 9.183 6.303 1.00 1.11 H new ATOM 1075 N PHE A 72 -5.279 7.650 3.658 1.00 22.34 N ATOM 1076 CA PHE A 72 -5.564 7.569 2.233 1.00 72.20 C ATOM 1077 C PHE A 72 -5.558 6.099 1.817 1.00 43.41 C ATOM 1078 O PHE A 72 -6.534 5.606 1.253 1.00 2.12 O ATOM 1079 CB PHE A 72 -4.550 8.394 1.422 1.00 0.24 C ATOM 1080 CG PHE A 72 -4.941 8.598 -0.027 1.00 21.15 C ATOM 1081 CD1 PHE A 72 -4.931 7.522 -0.938 1.00 53.22 C ATOM 1082 CD2 PHE A 72 -5.320 9.875 -0.468 1.00 55.31 C ATOM 1083 CE1 PHE A 72 -5.354 7.709 -2.265 1.00 34.12 C ATOM 1084 CE2 PHE A 72 -5.740 10.064 -1.790 1.00 61.40 C ATOM 1085 CZ PHE A 72 -5.791 8.979 -2.677 1.00 21.24 C ATOM 0 H PHE A 72 -4.466 8.222 3.886 1.00 22.34 H new ATOM 0 HA PHE A 72 -6.547 7.993 2.027 1.00 72.20 H new ATOM 0 HB2 PHE A 72 -4.428 9.368 1.895 1.00 0.24 H new ATOM 0 HB3 PHE A 72 -3.580 7.898 1.460 1.00 0.24 H new ATOM 0 HD1 PHE A 72 -4.596 6.548 -0.614 1.00 53.22 H new ATOM 0 HD2 PHE A 72 -5.288 10.713 0.213 1.00 55.31 H new ATOM 0 HE1 PHE A 72 -5.343 6.884 -2.962 1.00 34.12 H new ATOM 0 HE2 PHE A 72 -6.026 11.049 -2.128 1.00 61.40 H new ATOM 0 HZ PHE A 72 -6.167 9.120 -3.679 1.00 21.24 H new ATOM 1095 N LEU A 73 -4.459 5.390 2.101 1.00 51.14 N ATOM 1096 CA LEU A 73 -4.307 3.988 1.727 1.00 51.44 C ATOM 1097 C LEU A 73 -5.406 3.145 2.358 1.00 75.14 C ATOM 1098 O LEU A 73 -6.015 2.315 1.685 1.00 71.10 O ATOM 1099 CB LEU A 73 -2.937 3.466 2.179 1.00 15.21 C ATOM 1100 CG LEU A 73 -2.689 2.015 1.714 1.00 4.32 C ATOM 1101 CD1 LEU A 73 -2.617 1.865 0.195 1.00 40.54 C ATOM 1102 CD2 LEU A 73 -1.387 1.503 2.324 1.00 52.43 C ATOM 0 H LEU A 73 -3.654 5.775 2.596 1.00 51.14 H new ATOM 0 HA LEU A 73 -4.382 3.913 0.642 1.00 51.44 H new ATOM 0 HB2 LEU A 73 -2.154 4.113 1.783 1.00 15.21 H new ATOM 0 HB3 LEU A 73 -2.871 3.515 3.266 1.00 15.21 H new ATOM 0 HG LEU A 73 -3.544 1.430 2.053 1.00 4.32 H new ATOM 0 HD11 LEU A 73 -2.441 0.820 -0.059 1.00 40.54 H new ATOM 0 HD12 LEU A 73 -3.557 2.193 -0.248 1.00 40.54 H new ATOM 0 HD13 LEU A 73 -1.801 2.475 -0.193 1.00 40.54 H new ATOM 0 HD21 LEU A 73 -1.210 0.478 1.997 1.00 52.43 H new ATOM 0 HD22 LEU A 73 -0.560 2.135 2.000 1.00 52.43 H new ATOM 0 HD23 LEU A 73 -1.460 1.529 3.411 1.00 52.43 H new ATOM 1114 N CYS A 74 -5.642 3.352 3.653 1.00 44.34 N ATOM 1115 CA CYS A 74 -6.694 2.674 4.401 1.00 54.23 C ATOM 1116 C CYS A 74 -8.053 2.843 3.708 1.00 32.44 C ATOM 1117 O CYS A 74 -8.808 1.876 3.594 1.00 12.33 O ATOM 1118 CB CYS A 74 -6.726 3.220 5.831 1.00 31.13 C ATOM 1119 SG CYS A 74 -7.824 2.211 6.863 1.00 41.24 S ATOM 0 H CYS A 74 -5.099 4.005 4.218 1.00 44.34 H new ATOM 0 HA CYS A 74 -6.482 1.605 4.436 1.00 54.23 H new ATOM 0 HB2 CYS A 74 -5.720 3.220 6.250 1.00 31.13 H new ATOM 0 HB3 CYS A 74 -7.069 4.254 5.825 1.00 31.13 H new ATOM 0 HG CYS A 74 -7.839 2.685 8.073 1.00 41.24 H new ATOM 1125 N GLY A 75 -8.349 4.044 3.207 1.00 31.33 N ATOM 1126 CA GLY A 75 -9.560 4.323 2.455 1.00 73.42 C ATOM 1127 C GLY A 75 -9.678 3.398 1.247 1.00 22.04 C ATOM 1128 O GLY A 75 -10.674 2.690 1.097 1.00 55.30 O ATOM 0 H GLY A 75 -7.742 4.856 3.317 1.00 31.33 H new ATOM 0 HA2 GLY A 75 -10.430 4.198 3.100 1.00 73.42 H new ATOM 0 HA3 GLY A 75 -9.556 5.361 2.124 1.00 73.42 H new ATOM 1132 N VAL A 76 -8.634 3.358 0.417 1.00 42.24 N ATOM 1133 CA VAL A 76 -8.578 2.492 -0.756 1.00 63.32 C ATOM 1134 C VAL A 76 -8.769 1.025 -0.319 1.00 41.54 C ATOM 1135 O VAL A 76 -9.575 0.307 -0.914 1.00 61.12 O ATOM 1136 CB VAL A 76 -7.272 2.750 -1.552 1.00 24.45 C ATOM 1137 CG1 VAL A 76 -7.274 2.027 -2.902 1.00 33.35 C ATOM 1138 CG2 VAL A 76 -7.049 4.228 -1.904 1.00 14.25 C ATOM 0 H VAL A 76 -7.799 3.931 0.543 1.00 42.24 H new ATOM 0 HA VAL A 76 -9.392 2.721 -1.444 1.00 63.32 H new ATOM 0 HB VAL A 76 -6.491 2.388 -0.884 1.00 24.45 H new ATOM 0 HG11 VAL A 76 -6.342 2.234 -3.427 1.00 33.35 H new ATOM 0 HG12 VAL A 76 -7.368 0.953 -2.740 1.00 33.35 H new ATOM 0 HG13 VAL A 76 -8.114 2.378 -3.502 1.00 33.35 H new ATOM 0 HG21 VAL A 76 -6.117 4.333 -2.460 1.00 14.25 H new ATOM 0 HG22 VAL A 76 -7.878 4.586 -2.514 1.00 14.25 H new ATOM 0 HG23 VAL A 76 -6.993 4.816 -0.988 1.00 14.25 H new ATOM 1148 N MET A 77 -8.094 0.569 0.747 1.00 20.25 N ATOM 1149 CA MET A 77 -8.251 -0.797 1.261 1.00 2.43 C ATOM 1150 C MET A 77 -9.711 -1.114 1.589 1.00 43.33 C ATOM 1151 O MET A 77 -10.170 -2.207 1.253 1.00 22.03 O ATOM 1152 CB MET A 77 -7.426 -1.055 2.531 1.00 73.40 C ATOM 1153 CG MET A 77 -5.912 -1.080 2.345 1.00 53.30 C ATOM 1154 SD MET A 77 -5.095 -1.735 3.825 1.00 62.24 S ATOM 1155 CE MET A 77 -3.645 -0.666 3.892 1.00 74.41 C ATOM 0 H MET A 77 -7.428 1.134 1.273 1.00 20.25 H new ATOM 0 HA MET A 77 -7.891 -1.441 0.459 1.00 2.43 H new ATOM 0 HB2 MET A 77 -7.671 -0.285 3.263 1.00 73.40 H new ATOM 0 HB3 MET A 77 -7.737 -2.009 2.956 1.00 73.40 H new ATOM 0 HG2 MET A 77 -5.657 -1.694 1.481 1.00 53.30 H new ATOM 0 HG3 MET A 77 -5.549 -0.073 2.139 1.00 53.30 H new ATOM 0 HE1 MET A 77 -3.005 -0.972 4.719 1.00 74.41 H new ATOM 0 HE2 MET A 77 -3.091 -0.745 2.956 1.00 74.41 H new ATOM 0 HE3 MET A 77 -3.961 0.367 4.041 1.00 74.41 H new ATOM 1165 N LYS A 78 -10.432 -0.198 2.247 1.00 55.33 N ATOM 1166 CA LYS A 78 -11.827 -0.428 2.619 1.00 51.14 C ATOM 1167 C LYS A 78 -12.638 -0.740 1.373 1.00 20.14 C ATOM 1168 O LYS A 78 -13.271 -1.792 1.327 1.00 2.35 O ATOM 1169 CB LYS A 78 -12.421 0.766 3.393 1.00 44.11 C ATOM 1170 CG LYS A 78 -12.488 0.482 4.896 1.00 71.11 C ATOM 1171 CD LYS A 78 -11.115 0.522 5.573 1.00 4.12 C ATOM 1172 CE LYS A 78 -11.214 0.194 7.064 1.00 35.34 C ATOM 1173 NZ LYS A 78 -11.679 -1.186 7.313 1.00 33.45 N ATOM 0 H LYS A 78 -10.068 0.711 2.532 1.00 55.33 H new ATOM 0 HA LYS A 78 -11.868 -1.283 3.293 1.00 51.14 H new ATOM 0 HB2 LYS A 78 -11.814 1.654 3.216 1.00 44.11 H new ATOM 0 HB3 LYS A 78 -13.421 0.983 3.018 1.00 44.11 H new ATOM 0 HG2 LYS A 78 -13.142 1.214 5.370 1.00 71.11 H new ATOM 0 HG3 LYS A 78 -12.938 -0.498 5.056 1.00 71.11 H new ATOM 0 HD2 LYS A 78 -10.448 -0.190 5.087 1.00 4.12 H new ATOM 0 HD3 LYS A 78 -10.674 1.511 5.446 1.00 4.12 H new ATOM 0 HE2 LYS A 78 -10.238 0.334 7.528 1.00 35.34 H new ATOM 0 HE3 LYS A 78 -11.898 0.896 7.542 1.00 35.34 H new ATOM 0 HZ1 LYS A 78 -11.552 -1.419 8.319 1.00 33.45 H new ATOM 0 HZ2 LYS A 78 -12.686 -1.263 7.064 1.00 33.45 H new ATOM 0 HZ3 LYS A 78 -11.127 -1.849 6.732 1.00 33.45 H new ATOM 1187 N THR A 79 -12.576 0.121 0.361 1.00 55.31 N ATOM 1188 CA THR A 79 -13.340 -0.055 -0.865 1.00 0.33 C ATOM 1189 C THR A 79 -12.992 -1.387 -1.538 1.00 1.45 C ATOM 1190 O THR A 79 -13.888 -2.128 -1.935 1.00 20.25 O ATOM 1191 CB THR A 79 -13.100 1.152 -1.779 1.00 11.15 C ATOM 1192 OG1 THR A 79 -13.232 2.344 -1.028 1.00 0.35 O ATOM 1193 CG2 THR A 79 -14.127 1.210 -2.903 1.00 55.12 C ATOM 0 H THR A 79 -11.994 0.959 0.370 1.00 55.31 H new ATOM 0 HA THR A 79 -14.405 -0.101 -0.639 1.00 0.33 H new ATOM 0 HB THR A 79 -12.100 1.051 -2.200 1.00 11.15 H new ATOM 0 HG1 THR A 79 -13.077 3.117 -1.611 1.00 0.35 H new ATOM 0 HG21 THR A 79 -13.929 2.077 -3.533 1.00 55.12 H new ATOM 0 HG22 THR A 79 -14.061 0.303 -3.504 1.00 55.12 H new ATOM 0 HG23 THR A 79 -15.127 1.292 -2.478 1.00 55.12 H new ATOM 1201 N TYR A 80 -11.710 -1.758 -1.611 1.00 11.25 N ATOM 1202 CA TYR A 80 -11.339 -3.047 -2.184 1.00 74.04 C ATOM 1203 C TYR A 80 -11.922 -4.228 -1.397 1.00 52.24 C ATOM 1204 O TYR A 80 -12.323 -5.225 -2.001 1.00 62.04 O ATOM 1205 CB TYR A 80 -9.819 -3.170 -2.315 1.00 52.31 C ATOM 1206 CG TYR A 80 -9.312 -2.613 -3.629 1.00 24.24 C ATOM 1207 CD1 TYR A 80 -9.500 -3.341 -4.817 1.00 2.12 C ATOM 1208 CD2 TYR A 80 -8.658 -1.375 -3.664 1.00 1.51 C ATOM 1209 CE1 TYR A 80 -9.027 -2.836 -6.041 1.00 2.41 C ATOM 1210 CE2 TYR A 80 -8.171 -0.867 -4.879 1.00 12.24 C ATOM 1211 CZ TYR A 80 -8.365 -1.589 -6.072 1.00 62.21 C ATOM 1212 OH TYR A 80 -7.910 -1.078 -7.244 1.00 34.13 O ATOM 0 H TYR A 80 -10.926 -1.192 -1.285 1.00 11.25 H new ATOM 0 HA TYR A 80 -11.775 -3.088 -3.182 1.00 74.04 H new ATOM 0 HB2 TYR A 80 -9.341 -2.642 -1.490 1.00 52.31 H new ATOM 0 HB3 TYR A 80 -9.532 -4.218 -2.232 1.00 52.31 H new ATOM 0 HD1 TYR A 80 -10.010 -4.293 -4.789 1.00 2.12 H new ATOM 0 HD2 TYR A 80 -8.528 -0.809 -2.753 1.00 1.51 H new ATOM 0 HE1 TYR A 80 -9.169 -3.398 -6.952 1.00 2.41 H new ATOM 0 HE2 TYR A 80 -7.648 0.078 -4.898 1.00 12.24 H new ATOM 0 HH TYR A 80 -8.482 -1.385 -7.979 1.00 34.13 H new ATOM 1222 N ARG A 81 -11.975 -4.171 -0.061 1.00 73.04 N ATOM 1223 CA ARG A 81 -12.562 -5.235 0.739 1.00 3.41 C ATOM 1224 C ARG A 81 -14.098 -5.164 0.774 1.00 62.33 C ATOM 1225 O ARG A 81 -14.717 -6.122 1.223 1.00 74.02 O ATOM 1226 CB ARG A 81 -11.959 -5.207 2.160 1.00 0.11 C ATOM 1227 CG ARG A 81 -11.854 -6.652 2.660 1.00 22.41 C ATOM 1228 CD ARG A 81 -11.786 -6.831 4.181 1.00 11.35 C ATOM 1229 NE ARG A 81 -10.519 -6.336 4.747 1.00 63.22 N ATOM 1230 CZ ARG A 81 -9.935 -6.776 5.871 1.00 12.53 C ATOM 1231 NH1 ARG A 81 -10.485 -7.721 6.622 1.00 52.52 N ATOM 1232 NH2 ARG A 81 -8.774 -6.254 6.233 1.00 33.02 N ATOM 0 H ARG A 81 -11.613 -3.390 0.486 1.00 73.04 H new ATOM 0 HA ARG A 81 -12.317 -6.187 0.268 1.00 3.41 H new ATOM 0 HB2 ARG A 81 -10.976 -4.736 2.147 1.00 0.11 H new ATOM 0 HB3 ARG A 81 -12.586 -4.617 2.828 1.00 0.11 H new ATOM 0 HG2 ARG A 81 -12.713 -7.209 2.286 1.00 22.41 H new ATOM 0 HG3 ARG A 81 -10.965 -7.105 2.220 1.00 22.41 H new ATOM 0 HD2 ARG A 81 -12.619 -6.302 4.644 1.00 11.35 H new ATOM 0 HD3 ARG A 81 -11.903 -7.887 4.426 1.00 11.35 H new ATOM 0 HE ARG A 81 -10.043 -5.591 4.238 1.00 63.22 H new ATOM 0 HH11 ARG A 81 -11.377 -8.134 6.350 1.00 52.52 H new ATOM 0 HH12 ARG A 81 -10.016 -8.035 7.472 1.00 52.52 H new ATOM 0 HH21 ARG A 81 -8.339 -5.530 5.660 1.00 33.02 H new ATOM 0 HH22 ARG A 81 -8.314 -6.575 7.085 1.00 33.02 H new ATOM 1246 N GLN A 82 -14.723 -4.080 0.314 1.00 40.40 N ATOM 1247 CA GLN A 82 -16.165 -3.868 0.360 1.00 20.42 C ATOM 1248 C GLN A 82 -16.608 -3.108 -0.888 1.00 54.30 C ATOM 1249 O GLN A 82 -16.638 -1.877 -0.920 1.00 12.44 O ATOM 1250 CB GLN A 82 -16.552 -3.148 1.668 1.00 0.15 C ATOM 1251 CG GLN A 82 -17.335 -4.073 2.604 1.00 3.54 C ATOM 1252 CD GLN A 82 -18.770 -4.334 2.138 1.00 61.23 C ATOM 1253 OE1 GLN A 82 -19.272 -3.688 1.221 1.00 41.12 O ATOM 1254 NE2 GLN A 82 -19.485 -5.245 2.779 1.00 53.23 N ATOM 0 H GLN A 82 -14.221 -3.302 -0.114 1.00 40.40 H new ATOM 0 HA GLN A 82 -16.688 -4.824 0.361 1.00 20.42 H new ATOM 0 HB2 GLN A 82 -15.652 -2.796 2.171 1.00 0.15 H new ATOM 0 HB3 GLN A 82 -17.153 -2.268 1.437 1.00 0.15 H new ATOM 0 HG2 GLN A 82 -16.809 -5.024 2.687 1.00 3.54 H new ATOM 0 HG3 GLN A 82 -17.359 -3.634 3.601 1.00 3.54 H new ATOM 0 HE21 GLN A 82 -19.066 -5.780 3.540 1.00 53.23 H new ATOM 0 HE22 GLN A 82 -20.455 -5.412 2.512 1.00 53.23 H new