USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 62 THR OG1 : rot 97:sc= 0.843 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.948 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.233 (180deg=-1.06) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.02 F(o=-1.4!,f=-0.02) USER MOD Single : A 60 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.958 USER MOD Single : A 71 MET CE :methyl -168:sc= -0.249 (180deg=-0.801) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= -0.0696 (180deg=-0.124) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.73 F(o=-3.5!,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.895 X(o=-0.9,f=-0.6) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -82:sc= 1.34 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.378 F(o=-1.4,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.955 -0.270 -2.595 1.00 0.00 N ATOM 29 CA LEU A 48 12.742 0.528 -2.752 1.00 0.00 C ATOM 30 C LEU A 48 12.586 1.586 -1.663 1.00 0.00 C ATOM 31 O LEU A 48 11.546 2.236 -1.585 1.00 0.00 O ATOM 32 CB LEU A 48 11.497 -0.356 -2.796 1.00 0.00 C ATOM 33 CG LEU A 48 11.045 -0.764 -4.202 1.00 0.00 C ATOM 34 CD1 LEU A 48 12.052 -1.695 -4.855 1.00 0.00 C ATOM 35 CD2 LEU A 48 9.671 -1.406 -4.149 1.00 0.00 C ATOM 0 HA LEU A 48 12.846 1.047 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.689 -1.258 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.678 0.170 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 48 10.984 0.136 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.703 -1.967 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.016 -1.192 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.160 -2.595 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.363 -1.691 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.708 -2.293 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.953 -0.696 -3.737 1.00 0.00 H new ATOM 47 N GLN A 49 13.586 1.720 -0.796 1.00 0.00 N ATOM 48 CA GLN A 49 13.553 2.729 0.265 1.00 0.00 C ATOM 49 C GLN A 49 13.245 4.119 -0.297 1.00 0.00 C ATOM 50 O GLN A 49 12.532 4.903 0.330 1.00 0.00 O ATOM 51 CB GLN A 49 14.873 2.750 1.040 1.00 0.00 C ATOM 52 CG GLN A 49 14.923 3.823 2.120 1.00 0.00 C ATOM 53 CD GLN A 49 16.140 3.708 3.015 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.201 4.263 2.721 1.00 0.00 O ATOM 55 NE2 GLN A 49 15.993 2.995 4.120 1.00 0.00 N ATOM 0 H GLN A 49 14.429 1.145 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 49 12.751 2.456 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.031 1.774 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.694 2.910 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.918 4.806 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.023 3.758 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.098 2.552 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.775 2.888 4.766 1.00 0.00 H new ATOM 64 N ASP A 50 13.770 4.411 -1.482 1.00 0.00 N ATOM 65 CA ASP A 50 13.468 5.666 -2.166 1.00 0.00 C ATOM 66 C ASP A 50 11.975 5.767 -2.443 1.00 0.00 C ATOM 67 O ASP A 50 11.343 6.786 -2.160 1.00 0.00 O ATOM 68 CB ASP A 50 14.239 5.767 -3.482 1.00 0.00 C ATOM 69 CG ASP A 50 15.731 5.883 -3.279 1.00 0.00 C ATOM 70 OD1 ASP A 50 16.219 7.012 -3.078 1.00 0.00 O ATOM 71 OD2 ASP A 50 16.420 4.842 -3.311 1.00 0.00 O ATOM 0 H ASP A 50 14.407 3.797 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 50 13.773 6.487 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.027 4.888 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.884 6.634 -4.040 1.00 0.00 H new ATOM 76 N MET A 51 11.418 4.693 -2.991 1.00 0.00 N ATOM 77 CA MET A 51 9.985 4.602 -3.242 1.00 0.00 C ATOM 78 C MET A 51 9.203 4.778 -1.941 1.00 0.00 C ATOM 79 O MET A 51 8.141 5.400 -1.925 1.00 0.00 O ATOM 80 CB MET A 51 9.651 3.248 -3.879 1.00 0.00 C ATOM 81 CG MET A 51 8.208 3.116 -4.336 1.00 0.00 C ATOM 82 SD MET A 51 7.800 4.246 -5.681 1.00 0.00 S ATOM 83 CE MET A 51 9.026 3.767 -6.897 1.00 0.00 C ATOM 0 H MET A 51 11.944 3.865 -3.272 1.00 0.00 H new ATOM 0 HA MET A 51 9.699 5.399 -3.929 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.308 3.089 -4.734 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.867 2.457 -3.160 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.026 2.091 -4.659 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.545 3.307 -3.492 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.617 3.901 -7.898 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.915 4.388 -6.782 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.293 2.720 -6.751 1.00 0.00 H new ATOM 93 N ILE A 52 9.750 4.249 -0.848 1.00 0.00 N ATOM 94 CA ILE A 52 9.122 4.375 0.464 1.00 0.00 C ATOM 95 C ILE A 52 9.003 5.846 0.841 1.00 0.00 C ATOM 96 O ILE A 52 7.987 6.282 1.370 1.00 0.00 O ATOM 97 CB ILE A 52 9.924 3.653 1.576 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.184 2.191 1.210 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.179 3.734 2.901 1.00 0.00 C ATOM 100 CD1 ILE A 52 11.026 1.445 2.226 1.00 0.00 C ATOM 0 H ILE A 52 10.627 3.729 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 52 8.140 3.908 0.389 1.00 0.00 H new ATOM 0 HB ILE A 52 10.886 4.155 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.228 1.679 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.682 2.152 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.754 3.223 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.045 4.779 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.204 3.258 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.167 0.416 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.997 1.931 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.521 1.451 3.192 1.00 0.00 H new ATOM 112 N ASN A 53 10.043 6.609 0.528 1.00 0.00 N ATOM 113 CA ASN A 53 10.099 8.021 0.892 1.00 0.00 C ATOM 114 C ASN A 53 9.213 8.858 -0.018 1.00 0.00 C ATOM 115 O ASN A 53 8.764 9.939 0.362 1.00 0.00 O ATOM 116 CB ASN A 53 11.535 8.549 0.826 1.00 0.00 C ATOM 117 CG ASN A 53 12.441 7.957 1.889 1.00 0.00 C ATOM 118 OD1 ASN A 53 11.871 7.598 3.029 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.652 7.833 1.687 1.00 0.00 N flip ATOM 0 H ASN A 53 10.862 6.273 0.021 1.00 0.00 H new ATOM 0 HA ASN A 53 9.735 8.104 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.950 8.331 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.521 9.634 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.052 8.122 0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.253 7.442 2.413 1.00 0.00 H new ATOM 126 N GLU A 54 8.965 8.356 -1.222 1.00 0.00 N ATOM 127 CA GLU A 54 8.176 9.083 -2.208 1.00 0.00 C ATOM 128 C GLU A 54 6.684 8.862 -1.966 1.00 0.00 C ATOM 129 O GLU A 54 5.898 9.808 -1.942 1.00 0.00 O ATOM 130 CB GLU A 54 8.562 8.607 -3.616 1.00 0.00 C ATOM 131 CG GLU A 54 8.414 9.660 -4.705 1.00 0.00 C ATOM 132 CD GLU A 54 6.976 10.026 -5.011 1.00 0.00 C ATOM 133 OE1 GLU A 54 6.311 9.278 -5.754 1.00 0.00 O ATOM 134 OE2 GLU A 54 6.514 11.081 -4.530 1.00 0.00 O ATOM 0 H GLU A 54 9.300 7.446 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 54 8.382 10.150 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.597 8.265 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.946 7.746 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.952 10.559 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.888 9.296 -5.616 1.00 0.00 H new ATOM 141 N VAL A 55 6.310 7.611 -1.754 1.00 0.00 N ATOM 142 CA VAL A 55 4.903 7.255 -1.622 1.00 0.00 C ATOM 143 C VAL A 55 4.381 7.590 -0.225 1.00 0.00 C ATOM 144 O VAL A 55 3.208 7.927 -0.054 1.00 0.00 O ATOM 145 CB VAL A 55 4.672 5.756 -1.927 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.196 5.405 -1.862 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.242 5.397 -3.291 1.00 0.00 C ATOM 0 H VAL A 55 6.956 6.826 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 55 4.349 7.845 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 55 5.191 5.174 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.064 4.345 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.815 5.620 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.648 5.998 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.071 4.339 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.751 5.995 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.313 5.600 -3.303 1.00 0.00 H new ATOM 157 N ASP A 56 5.261 7.505 0.767 1.00 0.00 N ATOM 158 CA ASP A 56 4.906 7.883 2.134 1.00 0.00 C ATOM 159 C ASP A 56 4.531 9.351 2.201 1.00 0.00 C ATOM 160 O ASP A 56 5.281 10.223 1.757 1.00 0.00 O ATOM 161 CB ASP A 56 6.047 7.596 3.095 1.00 0.00 C ATOM 162 CG ASP A 56 5.563 7.320 4.502 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.331 7.351 4.747 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.405 7.058 5.371 1.00 0.00 O ATOM 0 H ASP A 56 6.221 7.180 0.653 1.00 0.00 H new ATOM 0 HA ASP A 56 4.046 7.283 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.615 6.738 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.729 8.446 3.109 1.00 0.00 H new ATOM 169 N ALA A 57 3.366 9.607 2.762 1.00 0.00 N ATOM 170 CA ALA A 57 2.816 10.956 2.804 1.00 0.00 C ATOM 171 C ALA A 57 3.085 11.597 4.155 1.00 0.00 C ATOM 172 O ALA A 57 3.229 12.816 4.275 1.00 0.00 O ATOM 173 CB ALA A 57 1.324 10.931 2.515 1.00 0.00 C ATOM 0 H ALA A 57 2.776 8.898 3.198 1.00 0.00 H new ATOM 0 HA ALA A 57 3.306 11.553 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.929 11.946 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.152 10.509 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.819 10.319 3.262 1.00 0.00 H new ATOM 179 N ASP A 58 3.143 10.749 5.167 1.00 0.00 N ATOM 180 CA ASP A 58 3.310 11.190 6.545 1.00 0.00 C ATOM 181 C ASP A 58 4.714 10.896 7.075 1.00 0.00 C ATOM 182 O ASP A 58 5.125 11.456 8.090 1.00 0.00 O ATOM 183 CB ASP A 58 2.274 10.500 7.441 1.00 0.00 C ATOM 184 CG ASP A 58 2.311 8.989 7.308 1.00 0.00 C ATOM 185 OD1 ASP A 58 3.287 8.442 6.791 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.375 8.318 7.762 1.00 0.00 O ATOM 0 H ASP A 58 3.076 9.737 5.059 1.00 0.00 H new ATOM 0 HA ASP A 58 3.164 12.270 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.455 10.775 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.278 10.861 7.185 1.00 0.00 H new ATOM 191 N GLY A 59 5.454 10.028 6.385 1.00 0.00 N ATOM 192 CA GLY A 59 6.775 9.649 6.860 1.00 0.00 C ATOM 193 C GLY A 59 6.748 8.620 7.986 1.00 0.00 C ATOM 194 O GLY A 59 7.723 8.485 8.725 1.00 0.00 O ATOM 0 H GLY A 59 5.165 9.584 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.350 9.247 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.297 10.541 7.207 1.00 0.00 H new ATOM 198 N ASN A 60 5.639 7.891 8.124 1.00 0.00 N ATOM 199 CA ASN A 60 5.531 6.847 9.150 1.00 0.00 C ATOM 200 C ASN A 60 6.236 5.562 8.710 1.00 0.00 C ATOM 201 O ASN A 60 6.294 4.586 9.459 1.00 0.00 O ATOM 202 CB ASN A 60 4.056 6.560 9.505 1.00 0.00 C ATOM 203 CG ASN A 60 3.263 5.890 8.390 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.615 5.978 7.214 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.154 5.254 8.741 1.00 0.00 N ATOM 0 H ASN A 60 4.807 8.001 7.544 1.00 0.00 H new ATOM 0 HA ASN A 60 6.029 7.219 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.024 5.925 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.568 7.499 9.769 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.567 4.821 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.888 5.197 9.724 1.00 0.00 H new ATOM 212 N GLY A 61 6.760 5.567 7.490 1.00 0.00 N ATOM 213 CA GLY A 61 7.542 4.447 7.002 1.00 0.00 C ATOM 214 C GLY A 61 6.729 3.496 6.150 1.00 0.00 C ATOM 215 O GLY A 61 7.229 2.457 5.717 1.00 0.00 O ATOM 0 H GLY A 61 6.656 6.334 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.383 4.823 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.959 3.903 7.850 1.00 0.00 H new ATOM 219 N THR A 62 5.471 3.837 5.915 1.00 0.00 N ATOM 220 CA THR A 62 4.583 2.962 5.171 1.00 0.00 C ATOM 221 C THR A 62 3.394 3.746 4.638 1.00 0.00 C ATOM 222 O THR A 62 3.261 4.945 4.889 1.00 0.00 O ATOM 223 CB THR A 62 4.080 1.796 6.064 1.00 0.00 C ATOM 224 OG1 THR A 62 3.382 0.822 5.275 1.00 0.00 O ATOM 225 CG2 THR A 62 3.160 2.308 7.167 1.00 0.00 C ATOM 0 H THR A 62 5.045 4.709 6.228 1.00 0.00 H new ATOM 0 HA THR A 62 5.144 2.545 4.334 1.00 0.00 H new ATOM 0 HB THR A 62 4.953 1.331 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.994 0.094 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.822 1.470 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.702 3.018 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.297 2.803 6.721 1.00 0.00 H new ATOM 233 N ILE A 63 2.538 3.075 3.899 1.00 0.00 N ATOM 234 CA ILE A 63 1.250 3.626 3.561 1.00 0.00 C ATOM 235 C ILE A 63 0.236 3.149 4.595 1.00 0.00 C ATOM 236 O ILE A 63 0.275 1.993 5.025 1.00 0.00 O ATOM 237 CB ILE A 63 0.817 3.232 2.127 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.844 4.459 1.212 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.559 2.582 2.114 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.394 4.172 -0.204 1.00 0.00 C ATOM 0 H ILE A 63 2.714 2.144 3.521 1.00 0.00 H new ATOM 0 HA ILE A 63 1.308 4.714 3.576 1.00 0.00 H new ATOM 0 HB ILE A 63 1.528 2.495 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.205 5.232 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.857 4.861 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.828 2.320 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.541 1.681 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.295 3.279 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.440 5.088 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.048 3.422 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.630 3.799 -0.192 1.00 0.00 H new ATOM 252 N ASP A 64 -0.642 4.043 5.008 1.00 0.00 N ATOM 253 CA ASP A 64 -1.664 3.724 5.988 1.00 0.00 C ATOM 254 C ASP A 64 -2.992 3.749 5.247 1.00 0.00 C ATOM 255 O ASP A 64 -3.009 4.080 4.061 1.00 0.00 O ATOM 256 CB ASP A 64 -1.650 4.755 7.129 1.00 0.00 C ATOM 257 CG ASP A 64 -2.250 4.245 8.431 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.322 3.611 8.400 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.654 4.507 9.502 1.00 0.00 O ATOM 0 H ASP A 64 -0.668 5.007 4.676 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.492 2.748 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.621 5.065 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.199 5.641 6.811 1.00 0.00 H new ATOM 264 N PHE A 65 -4.088 3.411 5.902 1.00 0.00 N ATOM 265 CA PHE A 65 -5.399 3.481 5.261 1.00 0.00 C ATOM 266 C PHE A 65 -5.656 4.870 4.653 1.00 0.00 C ATOM 267 O PHE A 65 -5.989 4.966 3.469 1.00 0.00 O ATOM 268 CB PHE A 65 -6.510 3.094 6.241 1.00 0.00 C ATOM 269 CG PHE A 65 -6.545 1.625 6.543 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.771 1.090 7.559 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.348 0.777 5.800 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.800 -0.264 7.830 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.382 -0.577 6.065 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.606 -1.099 7.082 1.00 0.00 C ATOM 0 H PHE A 65 -4.103 3.087 6.869 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.405 2.760 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.374 3.647 7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.472 3.397 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.138 1.739 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.955 1.180 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.193 -0.669 8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.014 -1.227 5.478 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.630 -2.158 7.291 1.00 0.00 H new ATOM 284 N PRO A 66 -5.485 5.970 5.428 1.00 0.00 N ATOM 285 CA PRO A 66 -5.623 7.331 4.894 1.00 0.00 C ATOM 286 C PRO A 66 -4.689 7.590 3.713 1.00 0.00 C ATOM 287 O PRO A 66 -5.118 8.094 2.672 1.00 0.00 O ATOM 288 CB PRO A 66 -5.253 8.237 6.077 1.00 0.00 C ATOM 289 CG PRO A 66 -4.559 7.346 7.049 1.00 0.00 C ATOM 290 CD PRO A 66 -5.174 5.993 6.866 1.00 0.00 C ATOM 0 HA PRO A 66 -6.628 7.508 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.605 9.054 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.141 8.688 6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.486 7.318 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.692 7.702 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.486 5.195 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.069 5.869 7.476 1.00 0.00 H new ATOM 298 N GLU A 67 -3.415 7.226 3.871 1.00 0.00 N ATOM 299 CA GLU A 67 -2.424 7.453 2.823 1.00 0.00 C ATOM 300 C GLU A 67 -2.784 6.701 1.547 1.00 0.00 C ATOM 301 O GLU A 67 -2.791 7.282 0.462 1.00 0.00 O ATOM 302 CB GLU A 67 -1.031 7.023 3.283 1.00 0.00 C ATOM 303 CG GLU A 67 -0.538 7.751 4.517 1.00 0.00 C ATOM 304 CD GLU A 67 0.887 7.383 4.874 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.107 6.389 5.580 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.829 8.063 4.441 1.00 0.00 O ATOM 0 H GLU A 67 -3.049 6.776 4.710 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.420 8.523 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.041 5.952 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.324 7.188 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.602 8.826 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.192 7.519 5.358 1.00 0.00 H new ATOM 313 N PHE A 68 -3.092 5.414 1.685 1.00 0.00 N ATOM 314 CA PHE A 68 -3.352 4.561 0.532 1.00 0.00 C ATOM 315 C PHE A 68 -4.509 5.097 -0.288 1.00 0.00 C ATOM 316 O PHE A 68 -4.386 5.268 -1.492 1.00 0.00 O ATOM 317 CB PHE A 68 -3.657 3.124 0.959 1.00 0.00 C ATOM 318 CG PHE A 68 -3.706 2.156 -0.194 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.541 1.771 -0.842 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.914 1.637 -0.632 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.579 0.885 -1.903 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.960 0.752 -1.694 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.791 0.376 -2.329 1.00 0.00 C ATOM 0 H PHE A 68 -3.167 4.940 2.585 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.449 4.562 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.898 2.795 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.613 3.103 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.592 2.169 -0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.830 1.927 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.664 0.592 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.908 0.355 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.825 -0.315 -3.158 1.00 0.00 H new ATOM 333 N LEU A 69 -5.625 5.372 0.371 1.00 0.00 N ATOM 334 CA LEU A 69 -6.814 5.825 -0.318 1.00 0.00 C ATOM 335 C LEU A 69 -6.603 7.155 -1.016 1.00 0.00 C ATOM 336 O LEU A 69 -7.016 7.328 -2.161 1.00 0.00 O ATOM 337 CB LEU A 69 -7.980 5.911 0.655 1.00 0.00 C ATOM 338 CG LEU A 69 -8.775 4.621 0.782 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.302 4.223 -0.586 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.923 3.508 1.370 1.00 0.00 C ATOM 0 H LEU A 69 -5.727 5.288 1.382 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.043 5.093 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.600 6.190 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.650 6.709 0.334 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.612 4.787 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.873 3.298 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.946 5.013 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.465 4.071 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.518 2.598 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.065 3.326 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.575 3.801 2.360 1.00 0.00 H new ATOM 352 N THR A 70 -5.954 8.087 -0.341 1.00 0.00 N ATOM 353 CA THR A 70 -5.732 9.398 -0.919 1.00 0.00 C ATOM 354 C THR A 70 -4.745 9.314 -2.087 1.00 0.00 C ATOM 355 O THR A 70 -4.946 9.933 -3.130 1.00 0.00 O ATOM 356 CB THR A 70 -5.209 10.395 0.136 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.057 10.375 1.295 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.151 11.808 -0.427 1.00 0.00 C ATOM 0 H THR A 70 -5.575 7.962 0.598 1.00 0.00 H new ATOM 0 HA THR A 70 -6.692 9.760 -1.289 1.00 0.00 H new ATOM 0 HB THR A 70 -4.200 10.091 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.821 9.610 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.779 12.489 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.483 11.829 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.150 12.118 -0.735 1.00 0.00 H new ATOM 366 N MET A 71 -3.678 8.546 -1.895 1.00 0.00 N ATOM 367 CA MET A 71 -2.668 8.330 -2.931 1.00 0.00 C ATOM 368 C MET A 71 -3.198 7.472 -4.074 1.00 0.00 C ATOM 369 O MET A 71 -2.738 7.598 -5.208 1.00 0.00 O ATOM 370 CB MET A 71 -1.414 7.682 -2.334 1.00 0.00 C ATOM 371 CG MET A 71 -0.583 8.627 -1.476 1.00 0.00 C ATOM 372 SD MET A 71 0.318 9.847 -2.453 1.00 0.00 S ATOM 373 CE MET A 71 1.531 8.800 -3.257 1.00 0.00 C ATOM 0 H MET A 71 -3.487 8.056 -1.021 1.00 0.00 H new ATOM 0 HA MET A 71 -2.411 9.308 -3.337 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.712 6.825 -1.730 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.793 7.301 -3.144 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.237 9.142 -0.773 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.125 8.046 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.294 9.421 -3.726 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.997 8.149 -2.517 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.040 8.192 -4.017 1.00 0.00 H new ATOM 383 N MET A 72 -4.146 6.591 -3.785 1.00 0.00 N ATOM 384 CA MET A 72 -4.743 5.766 -4.827 1.00 0.00 C ATOM 385 C MET A 72 -5.689 6.611 -5.666 1.00 0.00 C ATOM 386 O MET A 72 -5.403 6.898 -6.825 1.00 0.00 O ATOM 387 CB MET A 72 -5.497 4.580 -4.219 1.00 0.00 C ATOM 388 CG MET A 72 -5.934 3.540 -5.237 1.00 0.00 C ATOM 389 SD MET A 72 -4.536 2.718 -6.023 1.00 0.00 S ATOM 390 CE MET A 72 -5.378 1.554 -7.089 1.00 0.00 C ATOM 0 H MET A 72 -4.515 6.430 -2.848 1.00 0.00 H new ATOM 0 HA MET A 72 -3.947 5.374 -5.460 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.861 4.101 -3.475 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.377 4.952 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.560 2.795 -4.746 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.547 4.018 -6.001 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.643 0.970 -7.643 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.992 0.886 -6.485 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.013 2.096 -7.790 1.00 0.00 H new ATOM 400 N ALA A 73 -6.807 7.024 -5.061 1.00 0.00 N ATOM 401 CA ALA A 73 -7.769 7.936 -5.684 1.00 0.00 C ATOM 402 C ALA A 73 -7.125 9.211 -6.205 1.00 0.00 C ATOM 403 O ALA A 73 -7.760 9.970 -6.940 1.00 0.00 O ATOM 404 CB ALA A 73 -8.864 8.274 -4.687 1.00 0.00 C ATOM 0 H ALA A 73 -7.071 6.733 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.190 7.423 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.580 8.953 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.374 7.360 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.424 8.752 -3.812 1.00 0.00 H new ATOM 410 N ARG A 74 -5.894 9.464 -5.776 1.00 0.00 N ATOM 411 CA ARG A 74 -5.114 10.585 -6.268 1.00 0.00 C ATOM 412 C ARG A 74 -5.236 10.690 -7.789 1.00 0.00 C ATOM 413 O ARG A 74 -5.550 11.749 -8.332 1.00 0.00 O ATOM 414 CB ARG A 74 -3.648 10.408 -5.876 1.00 0.00 C ATOM 415 CG ARG A 74 -2.776 11.618 -6.146 1.00 0.00 C ATOM 416 CD ARG A 74 -1.341 11.360 -5.718 1.00 0.00 C ATOM 417 NE ARG A 74 -0.512 12.560 -5.797 1.00 0.00 N ATOM 418 CZ ARG A 74 0.806 12.568 -5.598 1.00 0.00 C ATOM 419 NH1 ARG A 74 1.449 11.437 -5.336 1.00 0.00 N ATOM 420 NH2 ARG A 74 1.481 13.706 -5.662 1.00 0.00 N ATOM 0 H ARG A 74 -5.412 8.897 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.497 11.502 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.595 10.167 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.241 9.554 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.804 11.862 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.170 12.482 -5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.332 10.982 -4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.911 10.582 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.969 13.445 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.935 10.558 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.458 11.447 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.992 14.578 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.490 13.710 -5.509 1.00 0.00 H new ATOM 544 N GLU A 82 -13.756 -0.304 2.980 1.00 0.00 N ATOM 545 CA GLU A 82 -12.680 -0.632 3.900 1.00 0.00 C ATOM 546 C GLU A 82 -12.343 -2.117 3.897 1.00 0.00 C ATOM 547 O GLU A 82 -11.175 -2.468 3.986 1.00 0.00 O ATOM 548 CB GLU A 82 -13.008 -0.162 5.308 1.00 0.00 C ATOM 549 CG GLU A 82 -11.805 -0.168 6.240 1.00 0.00 C ATOM 550 CD GLU A 82 -12.133 0.383 7.605 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.965 -0.224 8.310 1.00 0.00 O ATOM 552 OE2 GLU A 82 -11.560 1.422 7.988 1.00 0.00 O ATOM 0 HA GLU A 82 -11.795 -0.102 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.417 0.847 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.785 -0.802 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.433 -1.187 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.002 0.421 5.797 1.00 0.00 H new ATOM 559 N GLU A 83 -13.338 -2.983 3.765 1.00 0.00 N ATOM 560 CA GLU A 83 -13.088 -4.421 3.747 1.00 0.00 C ATOM 561 C GLU A 83 -12.273 -4.822 2.522 1.00 0.00 C ATOM 562 O GLU A 83 -11.333 -5.613 2.625 1.00 0.00 O ATOM 563 CB GLU A 83 -14.400 -5.197 3.777 1.00 0.00 C ATOM 564 CG GLU A 83 -15.180 -4.996 5.062 1.00 0.00 C ATOM 565 CD GLU A 83 -16.484 -5.754 5.077 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.452 -7.000 5.081 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.550 -5.106 5.082 1.00 0.00 O ATOM 0 H GLU A 83 -14.319 -2.720 3.669 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.513 -4.668 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.017 -4.889 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.190 -6.259 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.569 -5.315 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.381 -3.933 5.198 1.00 0.00 H new ATOM 574 N GLU A 84 -12.616 -4.259 1.371 1.00 0.00 N ATOM 575 CA GLU A 84 -11.898 -4.551 0.139 1.00 0.00 C ATOM 576 C GLU A 84 -10.507 -3.946 0.213 1.00 0.00 C ATOM 577 O GLU A 84 -9.521 -4.540 -0.222 1.00 0.00 O ATOM 578 CB GLU A 84 -12.658 -3.986 -1.062 1.00 0.00 C ATOM 579 CG GLU A 84 -14.042 -4.584 -1.242 1.00 0.00 C ATOM 580 CD GLU A 84 -14.002 -6.048 -1.619 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.964 -6.903 -0.713 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.015 -6.347 -2.830 1.00 0.00 O ATOM 0 H GLU A 84 -13.386 -3.598 1.265 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.815 -5.631 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.750 -2.906 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.075 -4.162 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.607 -4.467 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.575 -4.029 -2.014 1.00 0.00 H new ATOM 589 N ILE A 85 -10.445 -2.756 0.793 1.00 0.00 N ATOM 590 CA ILE A 85 -9.184 -2.078 1.005 1.00 0.00 C ATOM 591 C ILE A 85 -8.296 -2.893 1.953 1.00 0.00 C ATOM 592 O ILE A 85 -7.103 -3.059 1.712 1.00 0.00 O ATOM 593 CB ILE A 85 -9.383 -0.653 1.568 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.193 0.206 0.589 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.038 -0.002 1.856 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.560 0.330 -0.782 1.00 0.00 C ATOM 0 H ILE A 85 -11.261 -2.242 1.125 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.696 -1.988 0.035 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.939 -0.728 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.189 -0.223 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.319 1.202 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.197 1.001 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.494 -0.599 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.459 0.059 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.190 0.951 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.575 0.788 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.459 -0.660 -1.227 1.00 0.00 H new ATOM 608 N ARG A 86 -8.901 -3.425 3.017 1.00 0.00 N ATOM 609 CA ARG A 86 -8.184 -4.256 3.985 1.00 0.00 C ATOM 610 C ARG A 86 -7.678 -5.531 3.330 1.00 0.00 C ATOM 611 O ARG A 86 -6.593 -6.017 3.657 1.00 0.00 O ATOM 612 CB ARG A 86 -9.080 -4.624 5.168 1.00 0.00 C ATOM 613 CG ARG A 86 -9.371 -3.474 6.119 1.00 0.00 C ATOM 614 CD ARG A 86 -10.316 -3.908 7.227 1.00 0.00 C ATOM 615 NE ARG A 86 -9.787 -5.046 7.975 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.439 -6.194 8.152 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.673 -6.346 7.681 1.00 0.00 N ATOM 618 NH2 ARG A 86 -9.863 -7.182 8.823 1.00 0.00 N ATOM 0 H ARG A 86 -9.890 -3.294 3.230 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.337 -3.673 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.025 -5.011 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.608 -5.431 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.439 -3.112 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.810 -2.643 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.487 -3.073 7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.282 -4.172 6.798 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.859 -4.956 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.126 -5.581 7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.167 -7.228 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.924 -7.062 9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.359 -8.062 8.960 1.00 0.00 H new ATOM 632 N GLU A 87 -8.474 -6.061 2.408 1.00 0.00 N ATOM 633 CA GLU A 87 -8.097 -7.245 1.655 1.00 0.00 C ATOM 634 C GLU A 87 -6.856 -6.940 0.830 1.00 0.00 C ATOM 635 O GLU A 87 -5.918 -7.740 0.762 1.00 0.00 O ATOM 636 CB GLU A 87 -9.242 -7.681 0.738 1.00 0.00 C ATOM 637 CG GLU A 87 -8.916 -8.900 -0.111 1.00 0.00 C ATOM 638 CD GLU A 87 -10.006 -9.220 -1.108 1.00 0.00 C ATOM 639 OE1 GLU A 87 -9.957 -8.694 -2.237 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.922 -9.997 -0.768 1.00 0.00 O ATOM 0 H GLU A 87 -9.390 -5.684 2.165 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.884 -8.058 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.120 -7.897 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.505 -6.852 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.980 -8.728 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.759 -9.760 0.540 1.00 0.00 H new ATOM 647 N ALA A 88 -6.843 -5.756 0.236 1.00 0.00 N ATOM 648 CA ALA A 88 -5.718 -5.320 -0.557 1.00 0.00 C ATOM 649 C ALA A 88 -4.512 -5.067 0.337 1.00 0.00 C ATOM 650 O ALA A 88 -3.410 -5.452 0.001 1.00 0.00 O ATOM 651 CB ALA A 88 -6.076 -4.072 -1.350 1.00 0.00 C ATOM 0 H ALA A 88 -7.606 -5.081 0.293 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.462 -6.108 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.216 -3.758 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.913 -4.290 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.356 -3.273 -0.664 1.00 0.00 H new ATOM 657 N PHE A 89 -4.732 -4.431 1.484 1.00 0.00 N ATOM 658 CA PHE A 89 -3.664 -4.217 2.468 1.00 0.00 C ATOM 659 C PHE A 89 -2.981 -5.526 2.849 1.00 0.00 C ATOM 660 O PHE A 89 -1.787 -5.550 3.139 1.00 0.00 O ATOM 661 CB PHE A 89 -4.214 -3.538 3.725 1.00 0.00 C ATOM 662 CG PHE A 89 -4.108 -2.039 3.699 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.976 -1.276 2.941 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.134 -1.396 4.438 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.872 0.101 2.920 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.025 -0.021 4.423 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.895 0.729 3.663 1.00 0.00 C ATOM 0 H PHE A 89 -5.639 -4.053 1.759 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.923 -3.567 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.260 -3.817 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.678 -3.916 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.744 -1.762 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.448 -1.978 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.555 0.685 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.258 0.467 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.812 1.806 3.649 1.00 0.00 H new ATOM 677 N ARG A 90 -3.743 -6.609 2.857 1.00 0.00 N ATOM 678 CA ARG A 90 -3.194 -7.924 3.165 1.00 0.00 C ATOM 679 C ARG A 90 -2.434 -8.504 1.975 1.00 0.00 C ATOM 680 O ARG A 90 -1.406 -9.161 2.148 1.00 0.00 O ATOM 681 CB ARG A 90 -4.303 -8.888 3.596 1.00 0.00 C ATOM 682 CG ARG A 90 -4.903 -8.559 4.952 1.00 0.00 C ATOM 683 CD ARG A 90 -6.006 -9.536 5.327 1.00 0.00 C ATOM 684 NE ARG A 90 -6.531 -9.283 6.669 1.00 0.00 N ATOM 685 CZ ARG A 90 -7.625 -9.861 7.164 1.00 0.00 C ATOM 686 NH1 ARG A 90 -8.337 -10.696 6.418 1.00 0.00 N ATOM 687 NH2 ARG A 90 -8.013 -9.590 8.404 1.00 0.00 N ATOM 0 H ARG A 90 -4.743 -6.605 2.654 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.493 -7.799 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.094 -8.877 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.902 -9.901 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.122 -8.582 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.303 -7.545 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.816 -9.464 4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.621 -10.554 5.275 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.028 -8.623 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.048 -10.898 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.174 -11.136 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.474 -8.940 8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.850 -10.031 8.784 1.00 0.00 H new ATOM 701 N VAL A 91 -2.928 -8.257 0.768 1.00 0.00 N ATOM 702 CA VAL A 91 -2.350 -8.869 -0.423 1.00 0.00 C ATOM 703 C VAL A 91 -1.206 -8.014 -0.987 1.00 0.00 C ATOM 704 O VAL A 91 -0.257 -8.531 -1.574 1.00 0.00 O ATOM 705 CB VAL A 91 -3.429 -9.126 -1.508 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.652 -7.915 -2.393 1.00 0.00 C ATOM 707 CG2 VAL A 91 -3.075 -10.349 -2.340 1.00 0.00 C ATOM 0 H VAL A 91 -3.722 -7.642 0.588 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.938 -9.833 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.368 -9.319 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.416 -8.143 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.980 -7.074 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.721 -7.656 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.845 -10.511 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.114 -10.190 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.012 -11.224 -1.693 1.00 0.00 H new ATOM 717 N PHE A 92 -1.305 -6.705 -0.777 1.00 0.00 N ATOM 718 CA PHE A 92 -0.323 -5.745 -1.272 1.00 0.00 C ATOM 719 C PHE A 92 0.844 -5.605 -0.309 1.00 0.00 C ATOM 720 O PHE A 92 1.641 -4.682 -0.427 1.00 0.00 O ATOM 721 CB PHE A 92 -0.963 -4.368 -1.500 1.00 0.00 C ATOM 722 CG PHE A 92 -1.667 -4.213 -2.823 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.924 -4.759 -3.016 1.00 0.00 C ATOM 724 CD2 PHE A 92 -1.071 -3.536 -3.872 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.576 -4.630 -4.228 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.715 -3.403 -5.087 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.963 -3.902 -5.264 1.00 0.00 C ATOM 0 H PHE A 92 -2.071 -6.278 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 92 0.048 -6.127 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.677 -4.177 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.188 -3.605 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.402 -5.293 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.089 -3.106 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.545 -5.083 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.220 -2.897 -5.903 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.484 -3.741 -6.196 1.00 0.00 H new ATOM 737 N ASP A 93 0.939 -6.522 0.638 1.00 0.00 N ATOM 738 CA ASP A 93 1.988 -6.476 1.641 1.00 0.00 C ATOM 739 C ASP A 93 2.601 -7.863 1.796 1.00 0.00 C ATOM 740 O ASP A 93 1.938 -8.873 1.559 1.00 0.00 O ATOM 741 CB ASP A 93 1.428 -5.977 2.980 1.00 0.00 C ATOM 742 CG ASP A 93 2.508 -5.749 4.021 1.00 0.00 C ATOM 743 OD1 ASP A 93 2.869 -6.677 4.742 1.00 0.00 O ATOM 744 OD2 ASP A 93 3.053 -4.642 4.128 1.00 0.00 O ATOM 0 H ASP A 93 0.299 -7.311 0.733 1.00 0.00 H new ATOM 0 HA ASP A 93 2.763 -5.779 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.885 -5.046 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.710 -6.703 3.361 1.00 0.00 H new ATOM 749 N LYS A 94 3.872 -7.911 2.172 1.00 0.00 N ATOM 750 CA LYS A 94 4.568 -9.183 2.358 1.00 0.00 C ATOM 751 C LYS A 94 4.085 -9.867 3.631 1.00 0.00 C ATOM 752 O LYS A 94 3.866 -11.077 3.668 1.00 0.00 O ATOM 753 CB LYS A 94 6.080 -8.974 2.470 1.00 0.00 C ATOM 754 CG LYS A 94 6.736 -8.394 1.234 1.00 0.00 C ATOM 755 CD LYS A 94 8.209 -8.127 1.492 1.00 0.00 C ATOM 756 CE LYS A 94 8.868 -7.410 0.332 1.00 0.00 C ATOM 757 NZ LYS A 94 10.212 -6.904 0.709 1.00 0.00 N ATOM 0 H LYS A 94 4.444 -7.086 2.355 1.00 0.00 H new ATOM 0 HA LYS A 94 4.351 -9.804 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.279 -8.313 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.549 -9.931 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.626 -9.085 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.236 -7.468 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.316 -7.528 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.722 -9.071 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.957 -8.089 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.240 -6.579 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.675 -6.492 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.115 -6.176 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.789 -7.689 1.073 1.00 0.00 H new ATOM 771 N ASP A 95 3.923 -9.066 4.669 1.00 0.00 N ATOM 772 CA ASP A 95 3.608 -9.558 6.001 1.00 0.00 C ATOM 773 C ASP A 95 2.109 -9.498 6.263 1.00 0.00 C ATOM 774 O ASP A 95 1.637 -9.954 7.309 1.00 0.00 O ATOM 775 CB ASP A 95 4.327 -8.720 7.072 1.00 0.00 C ATOM 776 CG ASP A 95 5.469 -7.882 6.523 1.00 0.00 C ATOM 777 OD1 ASP A 95 5.207 -6.758 6.024 1.00 0.00 O ATOM 778 OD2 ASP A 95 6.632 -8.325 6.597 1.00 0.00 O ATOM 0 H ASP A 95 4.006 -8.051 4.613 1.00 0.00 H new ATOM 0 HA ASP A 95 3.945 -10.593 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.603 -8.062 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.714 -9.386 7.843 1.00 0.00 H new ATOM 783 N GLY A 96 1.362 -8.960 5.294 1.00 0.00 N ATOM 784 CA GLY A 96 -0.052 -8.669 5.482 1.00 0.00 C ATOM 785 C GLY A 96 -0.352 -7.930 6.771 1.00 0.00 C ATOM 786 O GLY A 96 -1.431 -8.089 7.335 1.00 0.00 O ATOM 0 H GLY A 96 1.720 -8.718 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.407 -8.074 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.612 -9.604 5.470 1.00 0.00 H new ATOM 790 N ASN A 97 0.585 -7.107 7.235 1.00 0.00 N ATOM 791 CA ASN A 97 0.480 -6.482 8.554 1.00 0.00 C ATOM 792 C ASN A 97 -0.503 -5.307 8.598 1.00 0.00 C ATOM 793 O ASN A 97 -0.397 -4.444 9.471 1.00 0.00 O ATOM 794 CB ASN A 97 1.868 -6.018 9.018 1.00 0.00 C ATOM 795 CG ASN A 97 2.481 -4.965 8.110 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.254 -3.706 8.435 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.157 -5.283 7.127 1.00 0.00 N flip ATOM 0 H ASN A 97 1.427 -6.856 6.717 1.00 0.00 H new ATOM 0 HA ASN A 97 0.084 -7.241 9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.791 -5.617 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.534 -6.879 9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.309 -6.268 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.563 -4.561 6.532 1.00 0.00 H new ATOM 804 N GLY A 98 -1.453 -5.273 7.672 1.00 0.00 N ATOM 805 CA GLY A 98 -2.468 -4.232 7.689 1.00 0.00 C ATOM 806 C GLY A 98 -1.937 -2.879 7.257 1.00 0.00 C ATOM 807 O GLY A 98 -2.529 -1.844 7.571 1.00 0.00 O ATOM 0 H GLY A 98 -1.541 -5.945 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.288 -4.521 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.880 -4.150 8.695 1.00 0.00 H new ATOM 811 N TYR A 99 -0.828 -2.895 6.533 1.00 0.00 N ATOM 812 CA TYR A 99 -0.217 -1.683 6.000 1.00 0.00 C ATOM 813 C TYR A 99 0.449 -2.021 4.689 1.00 0.00 C ATOM 814 O TYR A 99 0.905 -3.139 4.509 1.00 0.00 O ATOM 815 CB TYR A 99 0.813 -1.078 6.964 1.00 0.00 C ATOM 816 CG TYR A 99 0.209 -0.551 8.238 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.621 0.558 8.223 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.497 -1.143 9.458 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.148 1.066 9.390 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.031 -0.647 10.630 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.957 0.378 10.576 1.00 0.00 C ATOM 822 OH TYR A 99 -1.365 0.973 11.760 1.00 0.00 O ATOM 0 H TYR A 99 -0.324 -3.750 6.297 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.999 -0.937 5.859 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.556 -1.836 7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.339 -0.268 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.859 1.032 7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.145 -2.006 9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.704 1.992 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.276 -1.055 11.582 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.169 0.375 12.511 1.00 0.00 H new ATOM 832 N ILE A 100 0.474 -1.077 3.773 1.00 0.00 N ATOM 833 CA ILE A 100 1.075 -1.306 2.473 1.00 0.00 C ATOM 834 C ILE A 100 2.342 -0.468 2.318 1.00 0.00 C ATOM 835 O ILE A 100 2.284 0.741 2.115 1.00 0.00 O ATOM 836 CB ILE A 100 0.064 -0.989 1.348 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.182 -1.869 1.511 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.686 -1.197 -0.026 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.277 -1.589 0.502 1.00 0.00 C ATOM 0 H ILE A 100 0.086 -0.143 3.903 1.00 0.00 H new ATOM 0 HA ILE A 100 1.350 -2.358 2.396 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.223 0.060 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.887 -2.915 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.584 -1.728 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.049 -0.966 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.548 -0.540 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.005 -2.234 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.121 -2.253 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.603 -0.553 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.896 -1.759 -0.505 1.00 0.00 H new ATOM 851 N SER A 101 3.486 -1.116 2.446 1.00 0.00 N ATOM 852 CA SER A 101 4.767 -0.435 2.343 1.00 0.00 C ATOM 853 C SER A 101 5.311 -0.547 0.917 1.00 0.00 C ATOM 854 O SER A 101 4.841 -1.376 0.144 1.00 0.00 O ATOM 855 CB SER A 101 5.754 -1.038 3.345 1.00 0.00 C ATOM 856 OG SER A 101 5.133 -1.253 4.604 1.00 0.00 O ATOM 0 H SER A 101 3.555 -2.118 2.622 1.00 0.00 H new ATOM 0 HA SER A 101 4.632 0.621 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.138 -1.982 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.608 -0.372 3.466 1.00 0.00 H new ATOM 0 HG SER A 101 5.783 -1.640 5.227 1.00 0.00 H new ATOM 862 N ALA A 102 6.293 0.276 0.569 1.00 0.00 N ATOM 863 CA ALA A 102 6.780 0.335 -0.811 1.00 0.00 C ATOM 864 C ALA A 102 7.288 -1.017 -1.310 1.00 0.00 C ATOM 865 O ALA A 102 6.862 -1.491 -2.362 1.00 0.00 O ATOM 866 CB ALA A 102 7.863 1.383 -0.952 1.00 0.00 C ATOM 0 H ALA A 102 6.767 0.908 1.214 1.00 0.00 H new ATOM 0 HA ALA A 102 5.929 0.612 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.211 1.410 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.463 2.359 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.697 1.135 -0.295 1.00 0.00 H new ATOM 872 N ALA A 103 8.221 -1.621 -0.574 1.00 0.00 N ATOM 873 CA ALA A 103 8.736 -2.951 -0.914 1.00 0.00 C ATOM 874 C ALA A 103 7.617 -3.977 -1.080 1.00 0.00 C ATOM 875 O ALA A 103 7.765 -4.966 -1.802 1.00 0.00 O ATOM 876 CB ALA A 103 9.723 -3.417 0.144 1.00 0.00 C ATOM 0 H ALA A 103 8.637 -1.211 0.262 1.00 0.00 H new ATOM 0 HA ALA A 103 9.245 -2.867 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.099 -4.406 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.555 -2.715 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.224 -3.464 1.112 1.00 0.00 H new ATOM 882 N GLU A 104 6.497 -3.732 -0.420 1.00 0.00 N ATOM 883 CA GLU A 104 5.352 -4.623 -0.495 1.00 0.00 C ATOM 884 C GLU A 104 4.663 -4.464 -1.839 1.00 0.00 C ATOM 885 O GLU A 104 4.154 -5.435 -2.400 1.00 0.00 O ATOM 886 CB GLU A 104 4.355 -4.305 0.599 1.00 0.00 C ATOM 887 CG GLU A 104 4.993 -3.968 1.939 1.00 0.00 C ATOM 888 CD GLU A 104 5.808 -5.097 2.534 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.933 -5.330 2.062 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.322 -5.746 3.493 1.00 0.00 O ATOM 0 H GLU A 104 6.357 -2.917 0.178 1.00 0.00 H new ATOM 0 HA GLU A 104 5.709 -5.646 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.737 -3.465 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.690 -5.158 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.635 -3.096 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.209 -3.689 2.643 1.00 0.00 H new ATOM 897 N LEU A 105 4.654 -3.227 -2.349 1.00 0.00 N ATOM 898 CA LEU A 105 4.092 -2.946 -3.661 1.00 0.00 C ATOM 899 C LEU A 105 4.772 -3.823 -4.691 1.00 0.00 C ATOM 900 O LEU A 105 4.124 -4.417 -5.530 1.00 0.00 O ATOM 901 CB LEU A 105 4.271 -1.472 -4.063 1.00 0.00 C ATOM 902 CG LEU A 105 3.183 -0.495 -3.596 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.796 -1.069 -3.841 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.365 -0.119 -2.136 1.00 0.00 C ATOM 0 H LEU A 105 5.031 -2.410 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 105 3.023 -3.155 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.229 -1.127 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.331 -1.420 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 105 3.282 0.416 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.043 -0.358 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.663 -1.257 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.687 -2.004 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.578 0.574 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.311 -1.016 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.337 0.356 -2.001 1.00 0.00 H new ATOM 916 N ARG A 106 6.081 -3.947 -4.577 1.00 0.00 N ATOM 917 CA ARG A 106 6.837 -4.702 -5.557 1.00 0.00 C ATOM 918 C ARG A 106 6.575 -6.195 -5.376 1.00 0.00 C ATOM 919 O ARG A 106 6.480 -6.937 -6.345 1.00 0.00 O ATOM 920 CB ARG A 106 8.327 -4.356 -5.488 1.00 0.00 C ATOM 921 CG ARG A 106 9.197 -5.389 -4.805 1.00 0.00 C ATOM 922 CD ARG A 106 10.665 -5.024 -4.950 1.00 0.00 C ATOM 923 NE ARG A 106 11.566 -6.007 -4.352 1.00 0.00 N ATOM 924 CZ ARG A 106 12.877 -6.049 -4.606 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.412 -5.200 -5.482 1.00 0.00 N ATOM 926 NH2 ARG A 106 13.654 -6.934 -3.990 1.00 0.00 N ATOM 0 H ARG A 106 6.637 -3.540 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 106 6.503 -4.426 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.696 -4.207 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.439 -3.406 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.934 -5.454 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.015 -6.372 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.904 -4.919 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.838 -4.053 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 106 11.175 -6.695 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.821 -4.519 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.413 -5.231 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.250 -7.587 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.654 -6.960 -4.189 1.00 0.00 H new ATOM 940 N HIS A 107 6.437 -6.608 -4.124 1.00 0.00 N ATOM 941 CA HIS A 107 6.046 -7.975 -3.784 1.00 0.00 C ATOM 942 C HIS A 107 4.745 -8.383 -4.489 1.00 0.00 C ATOM 943 O HIS A 107 4.662 -9.449 -5.093 1.00 0.00 O ATOM 944 CB HIS A 107 5.887 -8.092 -2.262 1.00 0.00 C ATOM 945 CG HIS A 107 5.214 -9.349 -1.794 1.00 0.00 C ATOM 946 ND1 HIS A 107 3.899 -9.385 -1.384 1.00 0.00 N ATOM 947 CD2 HIS A 107 5.681 -10.613 -1.662 1.00 0.00 C ATOM 948 CE1 HIS A 107 3.589 -10.612 -1.016 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.650 -11.380 -1.176 1.00 0.00 N ATOM 0 H HIS A 107 6.592 -6.008 -3.314 1.00 0.00 H new ATOM 0 HA HIS A 107 6.828 -8.653 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.873 -8.032 -1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.316 -7.236 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.679 -10.955 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.627 -10.935 -0.645 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.697 -12.378 -0.972 1.00 0.00 H new ATOM 958 N VAL A 108 3.734 -7.540 -4.389 1.00 0.00 N ATOM 959 CA VAL A 108 2.419 -7.867 -4.933 1.00 0.00 C ATOM 960 C VAL A 108 2.297 -7.506 -6.419 1.00 0.00 C ATOM 961 O VAL A 108 1.902 -8.331 -7.244 1.00 0.00 O ATOM 962 CB VAL A 108 1.282 -7.187 -4.130 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.488 -5.684 -4.051 1.00 0.00 C ATOM 964 CG2 VAL A 108 -0.081 -7.515 -4.733 1.00 0.00 C ATOM 0 H VAL A 108 3.792 -6.626 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 108 2.314 -8.948 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 108 1.310 -7.582 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.674 -5.235 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.437 -5.472 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.501 -5.265 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.863 -7.026 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.118 -7.160 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.236 -8.594 -4.716 1.00 0.00 H new ATOM 974 N MET A 109 2.663 -6.273 -6.734 1.00 0.00 N ATOM 975 CA MET A 109 2.296 -5.632 -7.989 1.00 0.00 C ATOM 976 C MET A 109 2.976 -6.273 -9.206 1.00 0.00 C ATOM 977 O MET A 109 2.317 -6.970 -9.980 1.00 0.00 O ATOM 978 CB MET A 109 2.620 -4.134 -7.869 1.00 0.00 C ATOM 979 CG MET A 109 1.882 -3.230 -8.848 1.00 0.00 C ATOM 980 SD MET A 109 2.624 -3.202 -10.489 1.00 0.00 S ATOM 981 CE MET A 109 1.642 -1.930 -11.282 1.00 0.00 C ATOM 0 H MET A 109 3.227 -5.684 -6.122 1.00 0.00 H new ATOM 0 HA MET A 109 1.229 -5.769 -8.162 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.389 -3.809 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.692 -3.998 -8.011 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.847 -3.563 -8.930 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.860 -2.216 -8.449 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.982 -1.795 -12.309 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.593 -2.227 -11.283 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.753 -0.992 -10.737 1.00 0.00 H new ATOM 991 N THR A 110 4.276 -6.054 -9.379 1.00 0.00 N ATOM 992 CA THR A 110 4.973 -6.591 -10.549 1.00 0.00 C ATOM 993 C THR A 110 6.277 -7.312 -10.196 1.00 0.00 C ATOM 994 O THR A 110 6.579 -8.366 -10.757 1.00 0.00 O ATOM 995 CB THR A 110 5.262 -5.490 -11.592 1.00 0.00 C ATOM 996 OG1 THR A 110 5.431 -4.221 -10.942 1.00 0.00 O ATOM 997 CG2 THR A 110 4.139 -5.397 -12.614 1.00 0.00 C ATOM 0 H THR A 110 4.862 -5.519 -8.738 1.00 0.00 H new ATOM 0 HA THR A 110 4.293 -7.327 -10.977 1.00 0.00 H new ATOM 0 HB THR A 110 6.183 -5.754 -12.112 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.552 -3.826 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.368 -4.614 -13.336 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.039 -6.351 -13.132 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.204 -5.160 -12.107 1.00 0.00 H new ATOM 1005 N ASN A 111 7.034 -6.751 -9.264 1.00 0.00 N ATOM 1006 CA ASN A 111 8.367 -7.262 -8.934 1.00 0.00 C ATOM 1007 C ASN A 111 8.315 -8.549 -8.113 1.00 0.00 C ATOM 1008 O ASN A 111 7.267 -9.191 -8.008 1.00 0.00 O ATOM 1009 CB ASN A 111 9.185 -6.207 -8.191 1.00 0.00 C ATOM 1010 CG ASN A 111 9.743 -5.121 -9.096 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.076 -4.849 -10.208 1.00 0.00 O flip ATOM 1012 ND2 ASN A 111 10.772 -4.525 -8.788 1.00 0.00 N flip ATOM 0 H ASN A 111 6.751 -5.938 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 111 8.852 -7.495 -9.882 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.559 -5.746 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.010 -6.697 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.259 -4.761 -7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.139 -3.794 -9.397 1.00 0.00 H new