USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 21 MET CE :methyl -179:sc= -0.659 (180deg=-0.441) USER MOD Set 1.2: A 26 CYS SG : rot -0:sc= 0.25 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.16) USER MOD Single : A 1 MET N :NH3+ -139:sc= 2.17 (180deg=-0.413) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.25) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 13 GLN : amide:sc= -0.732 K(o=-0.73,f=-4.6!) USER MOD Single : A 14 SER OG : rot 110:sc=-0.00723 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.15) USER MOD Single : A 37 TYR OH : rot 99:sc= 0.519 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00161) USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.839 10.581 -0.317 1.00 0.00 N ATOM 2 CA MET A 1 7.369 10.047 -1.599 1.00 0.00 C ATOM 3 C MET A 1 6.240 9.891 -2.644 1.00 0.00 C ATOM 4 O MET A 1 5.096 9.572 -2.288 1.00 0.00 O ATOM 5 CB MET A 1 8.101 8.696 -1.364 1.00 0.00 C ATOM 6 CG MET A 1 7.215 7.544 -0.859 1.00 0.00 C ATOM 7 SD MET A 1 6.508 7.852 0.772 1.00 0.00 S ATOM 8 CE MET A 1 7.963 7.716 1.814 1.00 0.00 C ATOM 0 H1 MET A 1 7.503 11.284 0.067 1.00 0.00 H new ATOM 0 H2 MET A 1 5.916 11.031 -0.483 1.00 0.00 H new ATOM 0 H3 MET A 1 6.727 9.802 0.363 1.00 0.00 H new ATOM 0 HA MET A 1 8.090 10.762 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.569 8.389 -2.299 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.903 8.857 -0.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.408 7.376 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.806 6.628 -0.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.660 7.687 2.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.503 6.802 1.567 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.611 8.576 1.648 1.00 0.00 H new ATOM 20 N LEU A 2 6.573 10.119 -3.936 1.00 0.00 N ATOM 21 CA LEU A 2 5.650 9.875 -5.056 1.00 0.00 C ATOM 22 C LEU A 2 5.621 8.371 -5.333 1.00 0.00 C ATOM 23 O LEU A 2 6.647 7.776 -5.672 1.00 0.00 O ATOM 24 CB LEU A 2 6.081 10.642 -6.340 1.00 0.00 C ATOM 25 CG LEU A 2 5.284 10.290 -7.646 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.808 10.732 -7.567 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.975 10.870 -8.892 1.00 0.00 C ATOM 0 H LEU A 2 7.484 10.475 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 2 4.660 10.238 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.981 11.711 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.139 10.448 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 2 5.284 9.204 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.299 10.467 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.322 10.231 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.759 11.811 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.400 10.610 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.035 11.955 -8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.980 10.457 -8.976 1.00 0.00 H new ATOM 39 N VAL A 3 4.448 7.769 -5.146 1.00 0.00 N ATOM 40 CA VAL A 3 4.201 6.328 -5.344 1.00 0.00 C ATOM 41 C VAL A 3 3.120 6.143 -6.409 1.00 0.00 C ATOM 42 O VAL A 3 2.710 7.112 -7.040 1.00 0.00 O ATOM 43 CB VAL A 3 3.782 5.646 -3.991 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.892 5.818 -2.944 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.433 6.174 -3.458 1.00 0.00 C ATOM 0 H VAL A 3 3.616 8.277 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 3 5.119 5.848 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 3 3.644 4.583 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.590 5.341 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.810 5.355 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.066 6.880 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.190 5.671 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.505 7.248 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.650 5.977 -4.190 1.00 0.00 H new ATOM 55 N THR A 4 2.717 4.890 -6.664 1.00 0.00 N ATOM 56 CA THR A 4 1.579 4.587 -7.546 1.00 0.00 C ATOM 57 C THR A 4 0.577 3.681 -6.813 1.00 0.00 C ATOM 58 O THR A 4 0.801 2.490 -6.692 1.00 0.00 O ATOM 59 CB THR A 4 2.088 3.953 -8.885 1.00 0.00 C ATOM 60 OG1 THR A 4 2.888 4.921 -9.585 1.00 0.00 O ATOM 61 CG2 THR A 4 0.956 3.520 -9.818 1.00 0.00 C ATOM 0 H THR A 4 3.166 4.064 -6.269 1.00 0.00 H new ATOM 0 HA THR A 4 1.057 5.508 -7.805 1.00 0.00 H new ATOM 0 HB THR A 4 2.657 3.064 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.212 4.532 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.378 3.090 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.336 2.776 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.346 4.386 -10.076 1.00 0.00 H new ATOM 69 N ILE A 5 -0.523 4.286 -6.322 1.00 0.00 N ATOM 70 CA ILE A 5 -1.569 3.585 -5.542 1.00 0.00 C ATOM 71 C ILE A 5 -2.726 3.174 -6.465 1.00 0.00 C ATOM 72 O ILE A 5 -3.414 4.045 -7.004 1.00 0.00 O ATOM 73 CB ILE A 5 -2.138 4.496 -4.388 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.996 4.983 -3.450 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.245 3.756 -3.581 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.435 6.011 -2.425 1.00 0.00 C ATOM 0 H ILE A 5 -0.714 5.279 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.110 2.703 -5.097 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.593 5.373 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.576 4.123 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.198 5.409 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.618 4.409 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.064 3.488 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.829 2.852 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.582 6.299 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.827 6.890 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.211 5.584 -1.790 1.00 0.00 H new ATOM 88 N ASN A 6 -2.930 1.855 -6.610 1.00 0.00 N ATOM 89 CA ASN A 6 -3.983 1.250 -7.456 1.00 0.00 C ATOM 90 C ASN A 6 -3.966 1.847 -8.887 1.00 0.00 C ATOM 91 O ASN A 6 -4.970 2.382 -9.389 1.00 0.00 O ATOM 92 CB ASN A 6 -5.379 1.362 -6.758 1.00 0.00 C ATOM 93 CG ASN A 6 -6.457 0.492 -7.418 1.00 0.00 C ATOM 94 OD1 ASN A 6 -6.596 -0.683 -7.083 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.221 1.053 -8.352 1.00 0.00 N ATOM 0 H ASN A 6 -2.356 1.159 -6.133 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.774 0.187 -7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.279 1.073 -5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.702 2.403 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.948 0.506 -8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.080 2.031 -8.607 1.00 0.00 H new ATOM 102 N GLY A 7 -2.764 1.806 -9.499 1.00 0.00 N ATOM 103 CA GLY A 7 -2.554 2.291 -10.867 1.00 0.00 C ATOM 104 C GLY A 7 -2.501 3.814 -10.997 1.00 0.00 C ATOM 105 O GLY A 7 -2.302 4.321 -12.101 1.00 0.00 O ATOM 0 H GLY A 7 -1.922 1.438 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.622 1.873 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.356 1.912 -11.501 1.00 0.00 H new ATOM 109 N GLU A 8 -2.665 4.545 -9.874 1.00 0.00 N ATOM 110 CA GLU A 8 -2.678 6.022 -9.849 1.00 0.00 C ATOM 111 C GLU A 8 -1.390 6.549 -9.220 1.00 0.00 C ATOM 112 O GLU A 8 -1.192 6.407 -8.014 1.00 0.00 O ATOM 113 CB GLU A 8 -3.896 6.548 -9.037 1.00 0.00 C ATOM 114 CG GLU A 8 -5.258 6.089 -9.568 1.00 0.00 C ATOM 115 CD GLU A 8 -5.495 6.463 -11.046 1.00 0.00 C ATOM 116 OE1 GLU A 8 -5.476 7.662 -11.376 1.00 0.00 O ATOM 117 OE2 GLU A 8 -5.683 5.562 -11.882 1.00 0.00 O ATOM 0 H GLU A 8 -2.793 4.124 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.755 6.377 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.795 6.222 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.870 7.638 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.338 5.008 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.046 6.531 -8.958 1.00 0.00 H new ATOM 124 N GLN A 9 -0.522 7.157 -10.042 1.00 0.00 N ATOM 125 CA GLN A 9 0.726 7.778 -9.566 1.00 0.00 C ATOM 126 C GLN A 9 0.395 9.002 -8.669 1.00 0.00 C ATOM 127 O GLN A 9 0.022 10.078 -9.149 1.00 0.00 O ATOM 128 CB GLN A 9 1.651 8.149 -10.766 1.00 0.00 C ATOM 129 CG GLN A 9 1.012 9.075 -11.817 1.00 0.00 C ATOM 130 CD GLN A 9 1.927 9.434 -12.993 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.152 9.462 -12.870 1.00 0.00 O ATOM 132 NE2 GLN A 9 1.330 9.756 -14.127 1.00 0.00 N ATOM 0 H GLN A 9 -0.663 7.233 -11.049 1.00 0.00 H new ATOM 0 HA GLN A 9 1.279 7.063 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.549 8.630 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.969 7.230 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.114 8.596 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.695 9.995 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.313 9.722 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.886 10.038 -14.934 1.00 0.00 H new ATOM 141 N ARG A 10 0.501 8.807 -7.354 1.00 0.00 N ATOM 142 CA ARG A 10 0.054 9.779 -6.354 1.00 0.00 C ATOM 143 C ARG A 10 1.095 9.880 -5.246 1.00 0.00 C ATOM 144 O ARG A 10 1.615 8.861 -4.795 1.00 0.00 O ATOM 145 CB ARG A 10 -1.318 9.345 -5.778 1.00 0.00 C ATOM 146 CG ARG A 10 -1.988 10.410 -4.885 1.00 0.00 C ATOM 147 CD ARG A 10 -3.420 10.018 -4.491 1.00 0.00 C ATOM 148 NE ARG A 10 -4.253 9.761 -5.684 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.046 8.689 -5.870 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.151 7.747 -4.946 1.00 0.00 N ATOM 151 NH2 ARG A 10 -5.736 8.577 -6.995 1.00 0.00 N ATOM 0 H ARG A 10 0.903 7.962 -6.949 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.061 10.758 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.988 9.104 -6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.185 8.431 -5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.391 10.554 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.006 11.364 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.396 9.128 -3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.867 10.815 -3.897 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.225 10.455 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.626 7.826 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.757 6.942 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.664 9.299 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.339 7.768 -7.145 1.00 0.00 H new ATOM 165 N GLU A 11 1.387 11.108 -4.814 1.00 0.00 N ATOM 166 CA GLU A 11 2.371 11.376 -3.768 1.00 0.00 C ATOM 167 C GLU A 11 1.709 11.233 -2.389 1.00 0.00 C ATOM 168 O GLU A 11 0.614 11.761 -2.160 1.00 0.00 O ATOM 169 CB GLU A 11 2.966 12.800 -3.946 1.00 0.00 C ATOM 170 CG GLU A 11 4.071 13.161 -2.934 1.00 0.00 C ATOM 171 CD GLU A 11 4.567 14.603 -3.076 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.493 14.850 -3.874 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.028 15.501 -2.397 1.00 0.00 O ATOM 0 H GLU A 11 0.944 11.949 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 11 3.184 10.654 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.371 12.888 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.161 13.530 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.693 13.011 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.912 12.479 -3.064 1.00 0.00 H new ATOM 180 N VAL A 12 2.364 10.476 -1.504 1.00 0.00 N ATOM 181 CA VAL A 12 2.006 10.351 -0.074 1.00 0.00 C ATOM 182 C VAL A 12 3.227 10.715 0.778 1.00 0.00 C ATOM 183 O VAL A 12 4.299 11.013 0.247 1.00 0.00 O ATOM 184 CB VAL A 12 1.511 8.895 0.282 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.202 8.558 -0.469 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.613 7.832 0.016 1.00 0.00 C ATOM 0 H VAL A 12 3.178 9.917 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 12 1.182 11.033 0.136 1.00 0.00 H new ATOM 0 HB VAL A 12 1.298 8.870 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.119 7.550 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.573 9.270 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.374 8.616 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.234 6.843 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.891 7.852 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.488 8.055 0.626 1.00 0.00 H new ATOM 196 N GLN A 13 3.050 10.711 2.098 1.00 0.00 N ATOM 197 CA GLN A 13 4.156 10.903 3.056 1.00 0.00 C ATOM 198 C GLN A 13 4.279 9.655 3.966 1.00 0.00 C ATOM 199 O GLN A 13 5.078 9.630 4.907 1.00 0.00 O ATOM 200 CB GLN A 13 3.920 12.226 3.856 1.00 0.00 C ATOM 201 CG GLN A 13 5.165 12.801 4.578 1.00 0.00 C ATOM 202 CD GLN A 13 6.286 13.317 3.641 1.00 0.00 C ATOM 203 OE1 GLN A 13 6.505 12.813 2.539 1.00 0.00 O ATOM 204 NE2 GLN A 13 7.016 14.329 4.083 1.00 0.00 N ATOM 0 H GLN A 13 2.141 10.576 2.541 1.00 0.00 H new ATOM 0 HA GLN A 13 5.108 11.007 2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.539 12.982 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.142 12.047 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.846 13.620 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.580 12.028 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.823 14.736 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.772 14.702 3.509 1.00 0.00 H new ATOM 213 N SER A 14 3.499 8.604 3.630 1.00 0.00 N ATOM 214 CA SER A 14 3.508 7.329 4.351 1.00 0.00 C ATOM 215 C SER A 14 4.839 6.596 4.136 1.00 0.00 C ATOM 216 O SER A 14 5.150 6.191 3.016 1.00 0.00 O ATOM 217 CB SER A 14 2.353 6.446 3.851 1.00 0.00 C ATOM 218 OG SER A 14 1.099 7.086 4.008 1.00 0.00 O ATOM 0 H SER A 14 2.846 8.625 2.847 1.00 0.00 H new ATOM 0 HA SER A 14 3.386 7.531 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.509 6.204 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.352 5.504 4.399 1.00 0.00 H new ATOM 0 HG SER A 14 0.744 7.330 3.128 1.00 0.00 H new ATOM 224 N ALA A 15 5.627 6.483 5.208 1.00 0.00 N ATOM 225 CA ALA A 15 6.850 5.658 5.233 1.00 0.00 C ATOM 226 C ALA A 15 6.508 4.180 5.546 1.00 0.00 C ATOM 227 O ALA A 15 7.317 3.293 5.298 1.00 0.00 O ATOM 228 CB ALA A 15 7.848 6.232 6.256 1.00 0.00 C ATOM 0 H ALA A 15 5.439 6.961 6.089 1.00 0.00 H new ATOM 0 HA ALA A 15 7.316 5.684 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.749 5.618 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.109 7.253 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.394 6.232 7.247 1.00 0.00 H new ATOM 234 N SER A 16 5.295 3.936 6.068 1.00 0.00 N ATOM 235 CA SER A 16 4.809 2.597 6.453 1.00 0.00 C ATOM 236 C SER A 16 3.532 2.273 5.669 1.00 0.00 C ATOM 237 O SER A 16 2.690 3.163 5.458 1.00 0.00 O ATOM 238 CB SER A 16 4.512 2.561 7.973 1.00 0.00 C ATOM 239 OG SER A 16 3.997 1.295 8.383 1.00 0.00 O ATOM 0 H SER A 16 4.612 4.674 6.238 1.00 0.00 H new ATOM 0 HA SER A 16 5.575 1.856 6.223 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.425 2.778 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.795 3.343 8.222 1.00 0.00 H new ATOM 0 HG SER A 16 3.823 1.309 9.347 1.00 0.00 H new ATOM 245 N VAL A 17 3.394 1.002 5.244 1.00 0.00 N ATOM 246 CA VAL A 17 2.188 0.514 4.546 1.00 0.00 C ATOM 247 C VAL A 17 0.992 0.453 5.519 1.00 0.00 C ATOM 248 O VAL A 17 -0.149 0.652 5.107 1.00 0.00 O ATOM 249 CB VAL A 17 2.438 -0.885 3.855 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.151 -1.480 3.232 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.549 -0.772 2.783 1.00 0.00 C ATOM 0 H VAL A 17 4.111 0.288 5.374 1.00 0.00 H new ATOM 0 HA VAL A 17 1.950 1.222 3.752 1.00 0.00 H new ATOM 0 HB VAL A 17 2.762 -1.570 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.380 -2.441 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.401 -1.621 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.764 -0.798 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.707 -1.745 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.249 -0.051 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.475 -0.440 3.252 1.00 0.00 H new ATOM 261 N ALA A 18 1.276 0.211 6.816 1.00 0.00 N ATOM 262 CA ALA A 18 0.262 0.250 7.895 1.00 0.00 C ATOM 263 C ALA A 18 -0.417 1.627 7.941 1.00 0.00 C ATOM 264 O ALA A 18 -1.649 1.725 7.848 1.00 0.00 O ATOM 265 CB ALA A 18 0.902 -0.094 9.248 1.00 0.00 C ATOM 0 H ALA A 18 2.214 -0.017 7.146 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.502 -0.498 7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.142 -0.060 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.332 -1.094 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.686 0.628 9.474 1.00 0.00 H new ATOM 271 N ALA A 19 0.419 2.679 8.016 1.00 0.00 N ATOM 272 CA ALA A 19 -0.037 4.075 8.024 1.00 0.00 C ATOM 273 C ALA A 19 -0.730 4.446 6.715 1.00 0.00 C ATOM 274 O ALA A 19 -1.745 5.139 6.734 1.00 0.00 O ATOM 275 CB ALA A 19 1.137 5.017 8.286 1.00 0.00 C ATOM 0 H ALA A 19 1.433 2.581 8.073 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.765 4.181 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.783 6.048 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.582 4.784 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.885 4.893 7.503 1.00 0.00 H new ATOM 281 N LEU A 20 -0.198 3.932 5.588 1.00 0.00 N ATOM 282 CA LEU A 20 -0.737 4.226 4.251 1.00 0.00 C ATOM 283 C LEU A 20 -2.181 3.733 4.124 1.00 0.00 C ATOM 284 O LEU A 20 -3.077 4.522 3.825 1.00 0.00 O ATOM 285 CB LEU A 20 0.132 3.593 3.138 1.00 0.00 C ATOM 286 CG LEU A 20 -0.346 3.879 1.678 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.393 5.392 1.372 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.522 3.133 0.660 1.00 0.00 C ATOM 0 H LEU A 20 0.609 3.308 5.581 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.719 5.309 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.154 3.956 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.159 2.514 3.290 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.366 3.504 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.730 5.546 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.084 5.881 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.602 5.819 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.168 3.349 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.558 3.457 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.459 2.061 0.844 1.00 0.00 H new ATOM 300 N MET A 21 -2.385 2.439 4.411 1.00 0.00 N ATOM 301 CA MET A 21 -3.703 1.793 4.304 1.00 0.00 C ATOM 302 C MET A 21 -4.719 2.452 5.262 1.00 0.00 C ATOM 303 O MET A 21 -5.899 2.534 4.945 1.00 0.00 O ATOM 304 CB MET A 21 -3.577 0.272 4.592 1.00 0.00 C ATOM 305 CG MET A 21 -2.691 -0.490 3.591 1.00 0.00 C ATOM 306 SD MET A 21 -3.345 -0.483 1.908 1.00 0.00 S ATOM 307 CE MET A 21 -4.798 -1.521 2.079 1.00 0.00 C ATOM 0 H MET A 21 -1.644 1.812 4.723 1.00 0.00 H new ATOM 0 HA MET A 21 -4.072 1.924 3.287 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.172 0.136 5.595 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.573 -0.171 4.588 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.695 -0.047 3.588 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.581 -1.521 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.291 -1.619 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.501 -2.507 2.437 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.486 -1.068 2.793 1.00 0.00 H new ATOM 317 N THR A 22 -4.233 2.938 6.418 1.00 0.00 N ATOM 318 CA THR A 22 -5.063 3.662 7.405 1.00 0.00 C ATOM 319 C THR A 22 -5.474 5.047 6.867 1.00 0.00 C ATOM 320 O THR A 22 -6.628 5.465 7.014 1.00 0.00 O ATOM 321 CB THR A 22 -4.292 3.807 8.755 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.885 2.508 9.214 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.136 4.467 9.854 1.00 0.00 C ATOM 0 H THR A 22 -3.256 2.842 6.697 1.00 0.00 H new ATOM 0 HA THR A 22 -5.971 3.084 7.580 1.00 0.00 H new ATOM 0 HB THR A 22 -3.432 4.448 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.085 2.224 8.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.548 4.541 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.435 5.465 9.533 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.025 3.864 10.042 1.00 0.00 H new ATOM 331 N GLU A 23 -4.526 5.725 6.207 1.00 0.00 N ATOM 332 CA GLU A 23 -4.759 7.048 5.596 1.00 0.00 C ATOM 333 C GLU A 23 -5.592 6.932 4.309 1.00 0.00 C ATOM 334 O GLU A 23 -6.202 7.904 3.888 1.00 0.00 O ATOM 335 CB GLU A 23 -3.402 7.793 5.346 1.00 0.00 C ATOM 336 CG GLU A 23 -2.918 8.690 6.523 1.00 0.00 C ATOM 337 CD GLU A 23 -2.635 7.947 7.856 1.00 0.00 C ATOM 338 OE1 GLU A 23 -3.582 7.632 8.607 1.00 0.00 O ATOM 339 OE2 GLU A 23 -1.454 7.710 8.178 1.00 0.00 O ATOM 0 H GLU A 23 -3.576 5.376 6.080 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.339 7.647 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.632 7.052 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.503 8.412 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.008 9.205 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.671 9.456 6.707 1.00 0.00 H new ATOM 346 N LEU A 24 -5.621 5.742 3.696 1.00 0.00 N ATOM 347 CA LEU A 24 -6.501 5.449 2.549 1.00 0.00 C ATOM 348 C LEU A 24 -7.878 4.965 3.048 1.00 0.00 C ATOM 349 O LEU A 24 -8.793 4.768 2.246 1.00 0.00 O ATOM 350 CB LEU A 24 -5.833 4.386 1.627 1.00 0.00 C ATOM 351 CG LEU A 24 -4.464 4.793 0.995 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.871 3.663 0.133 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.577 6.103 0.195 1.00 0.00 C ATOM 0 H LEU A 24 -5.038 4.954 3.978 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.652 6.359 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.687 3.473 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.526 4.146 0.821 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.773 4.968 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.919 3.988 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.712 2.779 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.561 3.421 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.605 6.355 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.303 5.977 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.903 6.906 0.856 1.00 0.00 H new ATOM 365 N ASP A 25 -7.990 4.767 4.382 1.00 0.00 N ATOM 366 CA ASP A 25 -9.216 4.315 5.076 1.00 0.00 C ATOM 367 C ASP A 25 -9.631 2.904 4.585 1.00 0.00 C ATOM 368 O ASP A 25 -10.804 2.522 4.584 1.00 0.00 O ATOM 369 CB ASP A 25 -10.360 5.368 4.923 1.00 0.00 C ATOM 370 CG ASP A 25 -11.526 5.162 5.911 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.296 5.247 7.134 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.668 4.902 5.479 1.00 0.00 O ATOM 0 H ASP A 25 -7.210 4.921 5.021 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.009 4.231 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.945 6.366 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.746 5.327 3.905 1.00 0.00 H new ATOM 377 N CYS A 26 -8.615 2.124 4.224 1.00 0.00 N ATOM 378 CA CYS A 26 -8.741 0.769 3.685 1.00 0.00 C ATOM 379 C CYS A 26 -8.289 -0.255 4.761 1.00 0.00 C ATOM 380 O CYS A 26 -7.639 -1.261 4.456 1.00 0.00 O ATOM 381 CB CYS A 26 -7.880 0.687 2.394 1.00 0.00 C ATOM 382 SG CYS A 26 -8.064 -0.841 1.456 1.00 0.00 S ATOM 0 H CYS A 26 -7.644 2.428 4.301 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.774 0.532 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.139 1.526 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.831 0.805 2.666 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.910 -1.622 2.060 1.00 0.00 H new ATOM 439 N TYR A 31 -9.549 -6.270 3.659 1.00 0.00 N ATOM 440 CA TYR A 31 -8.755 -5.608 2.607 1.00 0.00 C ATOM 441 C TYR A 31 -7.366 -6.256 2.515 1.00 0.00 C ATOM 442 O TYR A 31 -7.013 -7.119 3.317 1.00 0.00 O ATOM 443 CB TYR A 31 -8.601 -4.089 2.896 1.00 0.00 C ATOM 444 CG TYR A 31 -9.921 -3.304 2.997 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.619 -2.906 1.857 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.458 -2.947 4.234 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.793 -2.182 1.951 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.628 -2.230 4.328 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.291 -1.848 3.186 1.00 0.00 C ATOM 450 OH TYR A 31 -13.455 -1.123 3.286 1.00 0.00 O ATOM 0 HA TYR A 31 -9.280 -5.728 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.052 -3.967 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.992 -3.645 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.235 -3.168 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.944 -3.240 5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.317 -1.880 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.025 -1.968 5.297 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.667 -0.974 4.231 1.00 0.00 H new ATOM 460 N ALA A 32 -6.624 -5.856 1.480 1.00 0.00 N ATOM 461 CA ALA A 32 -5.213 -6.211 1.272 1.00 0.00 C ATOM 462 C ALA A 32 -4.557 -5.135 0.404 1.00 0.00 C ATOM 463 O ALA A 32 -5.218 -4.164 -0.008 1.00 0.00 O ATOM 464 CB ALA A 32 -5.079 -7.611 0.634 1.00 0.00 C ATOM 0 H ALA A 32 -6.996 -5.259 0.741 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.703 -6.255 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.024 -7.847 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.532 -8.355 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.586 -7.621 -0.331 1.00 0.00 H new ATOM 470 N VAL A 33 -3.258 -5.302 0.125 1.00 0.00 N ATOM 471 CA VAL A 33 -2.516 -4.392 -0.752 1.00 0.00 C ATOM 472 C VAL A 33 -1.437 -5.160 -1.525 1.00 0.00 C ATOM 473 O VAL A 33 -0.553 -5.790 -0.936 1.00 0.00 O ATOM 474 CB VAL A 33 -1.890 -3.183 0.054 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.949 -3.650 1.182 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.186 -2.169 -0.876 1.00 0.00 C ATOM 0 H VAL A 33 -2.696 -6.067 0.499 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.220 -3.968 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.727 -2.670 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.547 -2.781 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.504 -4.270 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.130 -4.229 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.771 -1.356 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.383 -2.669 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.907 -1.766 -1.587 1.00 0.00 H new ATOM 486 N ALA A 34 -1.536 -5.152 -2.858 1.00 0.00 N ATOM 487 CA ALA A 34 -0.483 -5.686 -3.709 1.00 0.00 C ATOM 488 C ALA A 34 0.626 -4.635 -3.837 1.00 0.00 C ATOM 489 O ALA A 34 0.525 -3.703 -4.636 1.00 0.00 O ATOM 490 CB ALA A 34 -1.050 -6.075 -5.077 1.00 0.00 C ATOM 0 H ALA A 34 -2.338 -4.780 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.064 -6.589 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.251 -6.473 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.822 -6.834 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.482 -5.196 -5.555 1.00 0.00 H new ATOM 496 N LEU A 35 1.672 -4.793 -3.016 1.00 0.00 N ATOM 497 CA LEU A 35 2.868 -3.950 -3.083 1.00 0.00 C ATOM 498 C LEU A 35 3.881 -4.623 -4.004 1.00 0.00 C ATOM 499 O LEU A 35 4.291 -5.765 -3.754 1.00 0.00 O ATOM 500 CB LEU A 35 3.474 -3.694 -1.681 1.00 0.00 C ATOM 501 CG LEU A 35 4.795 -2.860 -1.670 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.610 -1.508 -2.377 1.00 0.00 C ATOM 503 CD2 LEU A 35 5.328 -2.662 -0.244 1.00 0.00 C ATOM 0 H LEU A 35 1.711 -5.507 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 35 2.594 -2.973 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.732 -3.178 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.666 -4.655 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 35 5.539 -3.431 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.548 -0.953 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.316 -1.676 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.835 -0.935 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.247 -2.078 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.584 -2.134 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.532 -3.633 0.206 1.00 0.00 H new ATOM 515 N ASN A 36 4.252 -3.898 -5.080 1.00 0.00 N ATOM 516 CA ASN A 36 5.112 -4.395 -6.172 1.00 0.00 C ATOM 517 C ASN A 36 4.413 -5.563 -6.909 1.00 0.00 C ATOM 518 O ASN A 36 5.073 -6.391 -7.543 1.00 0.00 O ATOM 519 CB ASN A 36 6.532 -4.790 -5.644 1.00 0.00 C ATOM 520 CG ASN A 36 7.204 -3.716 -4.760 1.00 0.00 C ATOM 521 OD1 ASN A 36 7.985 -4.033 -3.868 1.00 0.00 O ATOM 522 ND2 ASN A 36 6.912 -2.440 -4.996 1.00 0.00 N ATOM 0 H ASN A 36 3.956 -2.931 -5.216 1.00 0.00 H new ATOM 0 HA ASN A 36 5.265 -3.591 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.450 -5.715 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.179 -4.999 -6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.340 -1.706 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.261 -2.195 -5.742 1.00 0.00 H new ATOM 529 N TYR A 37 3.050 -5.552 -6.835 1.00 0.00 N ATOM 530 CA TYR A 37 2.130 -6.593 -7.373 1.00 0.00 C ATOM 531 C TYR A 37 2.122 -7.883 -6.515 1.00 0.00 C ATOM 532 O TYR A 37 1.486 -8.874 -6.887 1.00 0.00 O ATOM 533 CB TYR A 37 2.386 -6.907 -8.884 1.00 0.00 C ATOM 534 CG TYR A 37 2.293 -5.681 -9.807 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.071 -5.049 -10.035 1.00 0.00 C ATOM 536 CD2 TYR A 37 3.424 -5.140 -10.422 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.977 -3.938 -10.844 1.00 0.00 C ATOM 538 CE2 TYR A 37 3.335 -4.027 -11.231 1.00 0.00 C ATOM 539 CZ TYR A 37 2.110 -3.430 -11.439 1.00 0.00 C ATOM 540 OH TYR A 37 2.028 -2.318 -12.244 1.00 0.00 O ATOM 0 H TYR A 37 2.546 -4.789 -6.382 1.00 0.00 H new ATOM 0 HA TYR A 37 1.131 -6.162 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.375 -7.352 -8.988 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.664 -7.653 -9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.179 -5.439 -9.567 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.387 -5.602 -10.261 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.019 -3.468 -11.011 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.221 -3.625 -11.700 1.00 0.00 H new ATOM 0 HH TYR A 37 2.286 -1.523 -11.732 1.00 0.00 H new ATOM 550 N ASP A 38 2.782 -7.842 -5.340 1.00 0.00 N ATOM 551 CA ASP A 38 2.822 -8.972 -4.387 1.00 0.00 C ATOM 552 C ASP A 38 1.911 -8.645 -3.183 1.00 0.00 C ATOM 553 O ASP A 38 2.077 -7.594 -2.559 1.00 0.00 O ATOM 554 CB ASP A 38 4.283 -9.219 -3.925 1.00 0.00 C ATOM 555 CG ASP A 38 4.421 -10.369 -2.910 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.433 -11.548 -3.323 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.500 -10.100 -1.688 1.00 0.00 O ATOM 0 H ASP A 38 3.303 -7.024 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 38 2.461 -9.881 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.899 -9.439 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.675 -8.304 -3.481 1.00 0.00 H new ATOM 562 N VAL A 39 0.973 -9.557 -2.858 1.00 0.00 N ATOM 563 CA VAL A 39 -0.089 -9.316 -1.861 1.00 0.00 C ATOM 564 C VAL A 39 0.479 -9.340 -0.429 1.00 0.00 C ATOM 565 O VAL A 39 1.091 -10.329 -0.009 1.00 0.00 O ATOM 566 CB VAL A 39 -1.248 -10.373 -1.987 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.433 -10.021 -1.059 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.716 -10.506 -3.451 1.00 0.00 C ATOM 0 H VAL A 39 0.931 -10.484 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.498 -8.326 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.852 -11.337 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.217 -10.770 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.092 -10.003 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.827 -9.041 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.517 -11.242 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.082 -9.542 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.880 -10.828 -4.072 1.00 0.00 H new ATOM 578 N VAL A 40 0.247 -8.245 0.303 1.00 0.00 N ATOM 579 CA VAL A 40 0.722 -8.047 1.681 1.00 0.00 C ATOM 580 C VAL A 40 -0.480 -8.157 2.651 1.00 0.00 C ATOM 581 O VAL A 40 -1.424 -7.361 2.538 1.00 0.00 O ATOM 582 CB VAL A 40 1.406 -6.631 1.861 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.088 -6.499 3.242 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.406 -6.346 0.727 1.00 0.00 C ATOM 0 H VAL A 40 -0.288 -7.453 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 40 1.465 -8.814 1.900 1.00 0.00 H new ATOM 0 HB VAL A 40 0.615 -5.882 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.546 -5.514 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.344 -6.623 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.855 -7.266 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.859 -5.366 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.184 -7.109 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.885 -6.360 -0.230 1.00 0.00 H new ATOM 594 N PRO A 41 -0.494 -9.172 3.579 1.00 0.00 N ATOM 595 CA PRO A 41 -1.527 -9.278 4.643 1.00 0.00 C ATOM 596 C PRO A 41 -1.373 -8.175 5.717 1.00 0.00 C ATOM 597 O PRO A 41 -0.308 -7.542 5.823 1.00 0.00 O ATOM 598 CB PRO A 41 -1.287 -10.697 5.228 1.00 0.00 C ATOM 599 CG PRO A 41 0.151 -10.981 4.958 1.00 0.00 C ATOM 600 CD PRO A 41 0.466 -10.305 3.638 1.00 0.00 C ATOM 0 HA PRO A 41 -2.540 -9.140 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.502 -10.726 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.932 -11.435 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.783 -10.592 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.333 -12.054 4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.498 -9.956 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.332 -10.987 2.798 1.00 0.00 H new ATOM 608 N ARG A 42 -2.446 -7.992 6.525 1.00 0.00 N ATOM 609 CA ARG A 42 -2.566 -6.892 7.508 1.00 0.00 C ATOM 610 C ARG A 42 -1.403 -6.868 8.516 1.00 0.00 C ATOM 611 O ARG A 42 -0.831 -5.807 8.784 1.00 0.00 O ATOM 612 CB ARG A 42 -3.920 -6.979 8.255 1.00 0.00 C ATOM 613 CG ARG A 42 -4.155 -5.841 9.269 1.00 0.00 C ATOM 614 CD ARG A 42 -5.522 -5.931 9.956 1.00 0.00 C ATOM 615 NE ARG A 42 -6.646 -5.684 9.029 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.635 -4.798 9.233 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.663 -4.040 10.325 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.583 -4.656 8.325 1.00 0.00 N ATOM 0 H ARG A 42 -3.258 -8.610 6.511 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.521 -5.960 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.728 -6.971 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.973 -7.934 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.371 -5.867 10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.073 -4.882 8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.635 -6.919 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.563 -5.207 10.770 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.673 -6.229 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.926 -4.126 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.422 -3.373 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.562 -5.218 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.336 -3.985 8.475 1.00 0.00 H new ATOM 632 N GLY A 43 -1.037 -8.060 9.013 1.00 0.00 N ATOM 633 CA GLY A 43 0.034 -8.203 10.002 1.00 0.00 C ATOM 634 C GLY A 43 1.396 -7.732 9.491 1.00 0.00 C ATOM 635 O GLY A 43 2.220 -7.241 10.271 1.00 0.00 O ATOM 0 H GLY A 43 -1.472 -8.942 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.227 -7.635 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.107 -9.249 10.299 1.00 0.00 H new ATOM 639 N LYS A 44 1.611 -7.859 8.164 1.00 0.00 N ATOM 640 CA LYS A 44 2.876 -7.479 7.518 1.00 0.00 C ATOM 641 C LYS A 44 2.931 -5.971 7.243 1.00 0.00 C ATOM 642 O LYS A 44 4.025 -5.426 7.199 1.00 0.00 O ATOM 643 CB LYS A 44 3.104 -8.261 6.203 1.00 0.00 C ATOM 644 CG LYS A 44 3.540 -9.725 6.407 1.00 0.00 C ATOM 645 CD LYS A 44 3.893 -10.431 5.082 1.00 0.00 C ATOM 646 CE LYS A 44 5.059 -9.770 4.323 1.00 0.00 C ATOM 647 NZ LYS A 44 6.341 -9.841 5.076 1.00 0.00 N ATOM 0 H LYS A 44 0.913 -8.227 7.517 1.00 0.00 H new ATOM 0 HA LYS A 44 3.674 -7.737 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.183 -8.246 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.863 -7.746 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.404 -9.753 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.739 -10.273 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.149 -11.470 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.012 -10.442 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.182 -10.257 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.815 -8.726 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.097 -9.398 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.240 -9.339 5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.582 -10.836 5.258 1.00 0.00 H new ATOM 661 N TRP A 45 1.745 -5.308 7.091 1.00 0.00 N ATOM 662 CA TRP A 45 1.642 -3.851 6.735 1.00 0.00 C ATOM 663 C TRP A 45 2.549 -2.979 7.633 1.00 0.00 C ATOM 664 O TRP A 45 3.134 -1.987 7.176 1.00 0.00 O ATOM 665 CB TRP A 45 0.176 -3.324 6.849 1.00 0.00 C ATOM 666 CG TRP A 45 -0.815 -3.857 5.837 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.552 -4.569 4.712 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.243 -3.679 5.861 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.718 -4.868 4.054 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.768 -4.324 4.733 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.128 -3.041 6.736 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.131 -4.353 4.449 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.482 -3.075 6.457 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.973 -3.722 5.321 1.00 0.00 C ATOM 0 H TRP A 45 0.839 -5.761 7.210 1.00 0.00 H new ATOM 0 HA TRP A 45 1.971 -3.772 5.699 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.195 -3.560 7.846 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.197 -2.237 6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.435 -4.859 4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.788 -5.411 3.193 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.760 -2.531 7.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.509 -4.856 3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.174 -2.592 7.131 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.036 -3.724 5.128 1.00 0.00 H new ATOM 685 N ASP A 46 2.639 -3.386 8.903 1.00 0.00 N ATOM 686 CA ASP A 46 3.475 -2.739 9.919 1.00 0.00 C ATOM 687 C ASP A 46 4.969 -2.842 9.553 1.00 0.00 C ATOM 688 O ASP A 46 5.678 -1.833 9.472 1.00 0.00 O ATOM 689 CB ASP A 46 3.228 -3.418 11.294 1.00 0.00 C ATOM 690 CG ASP A 46 1.763 -3.358 11.760 1.00 0.00 C ATOM 691 OD1 ASP A 46 0.908 -4.060 11.172 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.454 -2.607 12.715 1.00 0.00 O ATOM 0 H ASP A 46 2.123 -4.190 9.260 1.00 0.00 H new ATOM 0 HA ASP A 46 3.207 -1.684 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.539 -4.461 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.858 -2.940 12.044 1.00 0.00 H new ATOM 697 N GLU A 47 5.414 -4.082 9.318 1.00 0.00 N ATOM 698 CA GLU A 47 6.827 -4.411 9.051 1.00 0.00 C ATOM 699 C GLU A 47 7.187 -4.259 7.554 1.00 0.00 C ATOM 700 O GLU A 47 8.315 -4.548 7.148 1.00 0.00 O ATOM 701 CB GLU A 47 7.122 -5.853 9.560 1.00 0.00 C ATOM 702 CG GLU A 47 6.716 -6.102 11.036 1.00 0.00 C ATOM 703 CD GLU A 47 7.154 -7.479 11.575 1.00 0.00 C ATOM 704 OE1 GLU A 47 6.755 -8.506 11.001 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.918 -7.544 12.558 1.00 0.00 O ATOM 0 H GLU A 47 4.800 -4.897 9.307 1.00 0.00 H new ATOM 0 HA GLU A 47 7.455 -3.702 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.595 -6.565 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.187 -6.054 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.152 -5.322 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.633 -6.014 11.126 1.00 0.00 H new ATOM 712 N THR A 48 6.216 -3.808 6.744 1.00 0.00 N ATOM 713 CA THR A 48 6.411 -3.514 5.321 1.00 0.00 C ATOM 714 C THR A 48 6.376 -1.980 5.129 1.00 0.00 C ATOM 715 O THR A 48 5.352 -1.363 5.427 1.00 0.00 O ATOM 716 CB THR A 48 5.312 -4.209 4.448 1.00 0.00 C ATOM 717 OG1 THR A 48 5.263 -5.606 4.771 1.00 0.00 O ATOM 718 CG2 THR A 48 5.587 -4.059 2.945 1.00 0.00 C ATOM 0 H THR A 48 5.263 -3.636 7.066 1.00 0.00 H new ATOM 0 HA THR A 48 7.375 -3.905 4.996 1.00 0.00 H new ATOM 0 HB THR A 48 4.361 -3.724 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.953 -5.718 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.799 -4.556 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.609 -3.001 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.548 -4.513 2.704 1.00 0.00 H new ATOM 726 N PRO A 49 7.509 -1.330 4.712 1.00 0.00 N ATOM 727 CA PRO A 49 7.533 0.121 4.417 1.00 0.00 C ATOM 728 C PRO A 49 7.058 0.463 2.979 1.00 0.00 C ATOM 729 O PRO A 49 6.928 -0.418 2.130 1.00 0.00 O ATOM 730 CB PRO A 49 9.026 0.469 4.622 1.00 0.00 C ATOM 731 CG PRO A 49 9.776 -0.774 4.239 1.00 0.00 C ATOM 732 CD PRO A 49 8.859 -1.949 4.548 1.00 0.00 C ATOM 0 HA PRO A 49 6.850 0.689 5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.322 1.315 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.227 0.747 5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.040 -0.757 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.708 -0.852 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.865 -2.682 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.171 -2.470 5.454 1.00 0.00 H new ATOM 740 N VAL A 50 6.778 1.757 2.734 1.00 0.00 N ATOM 741 CA VAL A 50 6.466 2.293 1.392 1.00 0.00 C ATOM 742 C VAL A 50 7.761 2.858 0.767 1.00 0.00 C ATOM 743 O VAL A 50 8.629 3.365 1.486 1.00 0.00 O ATOM 744 CB VAL A 50 5.361 3.413 1.476 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.977 3.941 0.085 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.110 2.911 2.228 1.00 0.00 C ATOM 0 H VAL A 50 6.761 2.467 3.466 1.00 0.00 H new ATOM 0 HA VAL A 50 6.075 1.491 0.767 1.00 0.00 H new ATOM 0 HB VAL A 50 5.790 4.241 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.213 4.711 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.857 4.364 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.589 3.122 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.366 3.707 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.692 2.051 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.387 2.621 3.241 1.00 0.00 H new ATOM 756 N THR A 51 7.883 2.772 -0.567 1.00 0.00 N ATOM 757 CA THR A 51 9.103 3.153 -1.308 1.00 0.00 C ATOM 758 C THR A 51 8.768 4.212 -2.368 1.00 0.00 C ATOM 759 O THR A 51 7.660 4.225 -2.894 1.00 0.00 O ATOM 760 CB THR A 51 9.711 1.887 -2.009 1.00 0.00 C ATOM 761 OG1 THR A 51 9.553 0.742 -1.159 1.00 0.00 O ATOM 762 CG2 THR A 51 11.204 2.060 -2.353 1.00 0.00 C ATOM 0 H THR A 51 7.133 2.434 -1.170 1.00 0.00 H new ATOM 0 HA THR A 51 9.828 3.567 -0.607 1.00 0.00 H new ATOM 0 HB THR A 51 9.171 1.748 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.932 -0.047 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.573 1.155 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.326 2.907 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.770 2.240 -1.439 1.00 0.00 H new ATOM 770 N ALA A 52 9.722 5.106 -2.679 1.00 0.00 N ATOM 771 CA ALA A 52 9.562 6.086 -3.764 1.00 0.00 C ATOM 772 C ALA A 52 9.450 5.388 -5.136 1.00 0.00 C ATOM 773 O ALA A 52 10.406 4.753 -5.600 1.00 0.00 O ATOM 774 CB ALA A 52 10.740 7.077 -3.745 1.00 0.00 C ATOM 0 H ALA A 52 10.616 5.169 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 52 8.635 6.636 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.619 7.802 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.762 7.598 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.675 6.534 -3.884 1.00 0.00 H new ATOM 780 N GLY A 53 8.266 5.507 -5.755 1.00 0.00 N ATOM 781 CA GLY A 53 8.021 4.993 -7.102 1.00 0.00 C ATOM 782 C GLY A 53 7.801 3.489 -7.145 1.00 0.00 C ATOM 783 O GLY A 53 8.275 2.812 -8.063 1.00 0.00 O ATOM 0 H GLY A 53 7.456 5.962 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.147 5.492 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.868 5.247 -7.739 1.00 0.00 H new ATOM 787 N ASP A 54 7.080 2.957 -6.148 1.00 0.00 N ATOM 788 CA ASP A 54 6.660 1.530 -6.129 1.00 0.00 C ATOM 789 C ASP A 54 5.238 1.352 -6.716 1.00 0.00 C ATOM 790 O ASP A 54 4.493 2.330 -6.886 1.00 0.00 O ATOM 791 CB ASP A 54 6.745 0.958 -4.678 1.00 0.00 C ATOM 792 CG ASP A 54 5.961 1.732 -3.602 1.00 0.00 C ATOM 793 OD1 ASP A 54 5.263 2.710 -3.920 1.00 0.00 O ATOM 794 OD2 ASP A 54 6.073 1.369 -2.421 1.00 0.00 O ATOM 0 H ASP A 54 6.769 3.489 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 54 7.345 0.966 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.385 -0.071 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.794 0.925 -4.382 1.00 0.00 H new ATOM 799 N GLU A 55 4.883 0.098 -7.039 1.00 0.00 N ATOM 800 CA GLU A 55 3.570 -0.246 -7.607 1.00 0.00 C ATOM 801 C GLU A 55 2.658 -0.828 -6.519 1.00 0.00 C ATOM 802 O GLU A 55 2.603 -2.039 -6.304 1.00 0.00 O ATOM 803 CB GLU A 55 3.746 -1.225 -8.795 1.00 0.00 C ATOM 804 CG GLU A 55 4.487 -0.619 -10.003 1.00 0.00 C ATOM 805 CD GLU A 55 3.760 0.570 -10.643 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.659 0.374 -11.196 1.00 0.00 O ATOM 807 OE2 GLU A 55 4.284 1.703 -10.606 1.00 0.00 O ATOM 0 H GLU A 55 5.498 -0.706 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 55 3.092 0.656 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.292 -2.103 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.763 -1.567 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.479 -0.298 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.629 -1.394 -10.756 1.00 0.00 H new ATOM 814 N ILE A 56 1.978 0.078 -5.832 1.00 0.00 N ATOM 815 CA ILE A 56 0.993 -0.233 -4.790 1.00 0.00 C ATOM 816 C ILE A 56 -0.368 -0.458 -5.473 1.00 0.00 C ATOM 817 O ILE A 56 -0.666 0.190 -6.480 1.00 0.00 O ATOM 818 CB ILE A 56 0.913 0.975 -3.775 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.306 1.201 -3.125 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.185 0.783 -2.701 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.398 2.413 -2.234 1.00 0.00 C ATOM 0 H ILE A 56 2.095 1.080 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 56 1.277 -1.129 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 56 0.628 1.864 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.567 0.318 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.050 1.292 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.194 1.643 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.157 0.691 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.021 -0.121 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.406 2.489 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.173 3.308 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.682 2.320 -1.418 1.00 0.00 H new ATOM 833 N GLU A 57 -1.172 -1.388 -4.960 1.00 0.00 N ATOM 834 CA GLU A 57 -2.531 -1.627 -5.469 1.00 0.00 C ATOM 835 C GLU A 57 -3.420 -2.067 -4.321 1.00 0.00 C ATOM 836 O GLU A 57 -3.013 -2.888 -3.515 1.00 0.00 O ATOM 837 CB GLU A 57 -2.540 -2.700 -6.591 1.00 0.00 C ATOM 838 CG GLU A 57 -3.930 -2.926 -7.235 1.00 0.00 C ATOM 839 CD GLU A 57 -3.948 -4.069 -8.258 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.543 -3.854 -9.418 1.00 0.00 O ATOM 841 OE2 GLU A 57 -4.358 -5.194 -7.900 1.00 0.00 O ATOM 0 H GLU A 57 -0.907 -1.996 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.908 -0.699 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.835 -2.405 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.184 -3.644 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.656 -3.139 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.250 -2.006 -7.724 1.00 0.00 H new ATOM 848 N ILE A 58 -4.634 -1.519 -4.253 1.00 0.00 N ATOM 849 CA ILE A 58 -5.604 -1.895 -3.229 1.00 0.00 C ATOM 850 C ILE A 58 -6.337 -3.158 -3.673 1.00 0.00 C ATOM 851 O ILE A 58 -6.747 -3.284 -4.832 1.00 0.00 O ATOM 852 CB ILE A 58 -6.616 -0.728 -2.961 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.838 0.549 -2.522 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.694 -1.119 -1.909 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.039 0.400 -1.231 1.00 0.00 C ATOM 0 H ILE A 58 -4.969 -0.807 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.079 -2.093 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.149 -0.520 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.157 0.836 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.549 1.366 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.373 -0.280 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.257 -1.981 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.208 -1.370 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.532 1.339 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.713 0.147 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.300 -0.392 -1.350 1.00 0.00 H new ATOM 867 N LEU A 59 -6.471 -4.091 -2.744 1.00 0.00 N ATOM 868 CA LEU A 59 -7.174 -5.353 -2.950 1.00 0.00 C ATOM 869 C LEU A 59 -8.249 -5.519 -1.880 1.00 0.00 C ATOM 870 O LEU A 59 -8.130 -5.003 -0.766 1.00 0.00 O ATOM 871 CB LEU A 59 -6.168 -6.542 -2.927 1.00 0.00 C ATOM 872 CG LEU A 59 -5.361 -6.758 -4.246 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.191 -7.737 -4.031 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.296 -7.246 -5.377 1.00 0.00 C ATOM 0 H LEU A 59 -6.087 -3.993 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.656 -5.345 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.463 -6.384 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.717 -7.457 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.934 -5.800 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.648 -7.867 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.517 -7.338 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.579 -8.700 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.718 -7.392 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.758 -8.189 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.072 -6.501 -5.554 1.00 0.00 H new