USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 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 51 MET CE :methyl 141:sc= 0 (180deg=-1.65) USER MOD Set 1.2: A 109 MET CE :methyl -123:sc= -1.52! (180deg=-1.15) USER MOD Set 1.3: A 110 THR OG1 : rot -170:sc= -0.152 USER MOD Set 2.1: A 62 THR OG1 : rot 97:sc= 0.877 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 53 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.374 K(o=0.37,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 71 MET CE :methyl -122:sc= -0.644 (180deg=-0.765) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.126 (180deg=-0.693) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.38 X(o=-2.4,f=-2.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-2.4!) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.295 0.161 -2.306 1.00 0.00 N ATOM 29 CA LEU A 48 12.966 0.197 -1.712 1.00 0.00 C ATOM 30 C LEU A 48 12.796 1.411 -0.814 1.00 0.00 C ATOM 31 O LEU A 48 11.685 1.907 -0.650 1.00 0.00 O ATOM 32 CB LEU A 48 12.680 -1.087 -0.920 1.00 0.00 C ATOM 33 CG LEU A 48 12.258 -2.304 -1.752 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.043 -1.973 -2.604 1.00 0.00 C ATOM 35 CD2 LEU A 48 13.405 -2.804 -2.621 1.00 0.00 C ATOM 0 HA LEU A 48 12.248 0.269 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.574 -1.349 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.894 -0.876 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 48 11.990 -3.105 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.758 -2.849 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.214 -1.682 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.284 -1.151 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.074 -3.667 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.719 -2.012 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.243 -3.092 -1.987 1.00 0.00 H new ATOM 47 N GLN A 49 13.894 1.890 -0.236 1.00 0.00 N ATOM 48 CA GLN A 49 13.845 3.078 0.609 1.00 0.00 C ATOM 49 C GLN A 49 13.418 4.288 -0.213 1.00 0.00 C ATOM 50 O GLN A 49 12.651 5.133 0.252 1.00 0.00 O ATOM 51 CB GLN A 49 15.197 3.341 1.267 1.00 0.00 C ATOM 52 CG GLN A 49 15.150 4.451 2.305 1.00 0.00 C ATOM 53 CD GLN A 49 16.501 4.737 2.922 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.538 4.586 2.277 1.00 0.00 O ATOM 55 NE2 GLN A 49 16.497 5.141 4.180 1.00 0.00 N ATOM 0 H GLN A 49 14.821 1.477 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 49 13.112 2.904 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.548 2.424 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.924 3.602 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.769 5.360 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.448 4.176 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.613 5.253 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.378 5.341 4.654 1.00 0.00 H new ATOM 64 N ASP A 50 13.911 4.355 -1.442 1.00 0.00 N ATOM 65 CA ASP A 50 13.517 5.405 -2.373 1.00 0.00 C ATOM 66 C ASP A 50 12.016 5.329 -2.643 1.00 0.00 C ATOM 67 O ASP A 50 11.314 6.346 -2.634 1.00 0.00 O ATOM 68 CB ASP A 50 14.305 5.268 -3.676 1.00 0.00 C ATOM 69 CG ASP A 50 14.002 6.373 -4.666 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.395 7.527 -4.415 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.361 6.093 -5.704 1.00 0.00 O ATOM 0 H ASP A 50 14.588 3.692 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 50 13.740 6.377 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.372 5.270 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.077 4.305 -4.133 1.00 0.00 H new ATOM 76 N MET A 51 11.531 4.106 -2.844 1.00 0.00 N ATOM 77 CA MET A 51 10.105 3.854 -3.038 1.00 0.00 C ATOM 78 C MET A 51 9.300 4.347 -1.835 1.00 0.00 C ATOM 79 O MET A 51 8.189 4.853 -1.986 1.00 0.00 O ATOM 80 CB MET A 51 9.869 2.353 -3.244 1.00 0.00 C ATOM 81 CG MET A 51 8.428 1.984 -3.575 1.00 0.00 C ATOM 82 SD MET A 51 7.975 2.385 -5.272 1.00 0.00 S ATOM 83 CE MET A 51 6.270 1.837 -5.305 1.00 0.00 C ATOM 0 H MET A 51 12.110 3.267 -2.877 1.00 0.00 H new ATOM 0 HA MET A 51 9.772 4.399 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.515 2.003 -4.049 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.169 1.823 -2.340 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.284 0.917 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.758 2.507 -2.892 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.673 2.541 -5.885 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.214 0.850 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.884 1.786 -4.287 1.00 0.00 H new ATOM 93 N ILE A 52 9.870 4.195 -0.640 1.00 0.00 N ATOM 94 CA ILE A 52 9.221 4.659 0.582 1.00 0.00 C ATOM 95 C ILE A 52 9.019 6.163 0.513 1.00 0.00 C ATOM 96 O ILE A 52 7.940 6.674 0.792 1.00 0.00 O ATOM 97 CB ILE A 52 10.052 4.345 1.851 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.359 2.850 1.956 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.313 4.814 3.096 1.00 0.00 C ATOM 100 CD1 ILE A 52 11.223 2.485 3.142 1.00 0.00 C ATOM 0 H ILE A 52 10.778 3.755 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 52 8.269 4.132 0.653 1.00 0.00 H new ATOM 0 HB ILE A 52 10.997 4.882 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.420 2.300 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.857 2.526 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.909 4.587 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.147 5.890 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.353 4.302 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.397 1.409 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 52 12.178 3.006 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.718 2.776 4.063 1.00 0.00 H new ATOM 112 N ASN A 53 10.067 6.858 0.105 1.00 0.00 N ATOM 113 CA ASN A 53 10.056 8.314 0.050 1.00 0.00 C ATOM 114 C ASN A 53 9.116 8.827 -1.036 1.00 0.00 C ATOM 115 O ASN A 53 8.668 9.969 -0.982 1.00 0.00 O ATOM 116 CB ASN A 53 11.473 8.846 -0.170 1.00 0.00 C ATOM 117 CG ASN A 53 12.290 8.843 1.108 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.401 9.861 1.792 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.855 7.698 1.454 1.00 0.00 N ATOM 0 H ASN A 53 10.945 6.435 -0.196 1.00 0.00 H new ATOM 0 HA ASN A 53 9.685 8.682 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.975 8.237 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.421 9.861 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.404 7.639 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.742 6.874 0.863 1.00 0.00 H new ATOM 126 N GLU A 54 8.813 7.988 -2.020 1.00 0.00 N ATOM 127 CA GLU A 54 7.862 8.363 -3.057 1.00 0.00 C ATOM 128 C GLU A 54 6.423 8.210 -2.569 1.00 0.00 C ATOM 129 O GLU A 54 5.587 9.088 -2.789 1.00 0.00 O ATOM 130 CB GLU A 54 8.048 7.504 -4.310 1.00 0.00 C ATOM 131 CG GLU A 54 9.400 7.651 -4.985 1.00 0.00 C ATOM 132 CD GLU A 54 9.464 6.893 -6.293 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.432 5.646 -6.272 1.00 0.00 O ATOM 134 OE2 GLU A 54 9.521 7.540 -7.360 1.00 0.00 O ATOM 0 H GLU A 54 9.208 7.053 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 54 8.053 9.408 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.903 6.458 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.269 7.760 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.602 8.707 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.181 7.288 -4.317 1.00 0.00 H new ATOM 141 N VAL A 55 6.143 7.104 -1.893 1.00 0.00 N ATOM 142 CA VAL A 55 4.761 6.725 -1.608 1.00 0.00 C ATOM 143 C VAL A 55 4.313 7.151 -0.206 1.00 0.00 C ATOM 144 O VAL A 55 3.139 7.446 0.012 1.00 0.00 O ATOM 145 CB VAL A 55 4.578 5.199 -1.767 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.122 4.806 -1.611 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.108 4.731 -3.114 1.00 0.00 C ATOM 0 H VAL A 55 6.845 6.457 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 55 4.136 7.251 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 55 5.151 4.711 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.022 3.727 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.770 5.098 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.526 5.310 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.969 3.654 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.566 5.236 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.169 4.968 -3.190 1.00 0.00 H new ATOM 157 N ASP A 56 5.242 7.185 0.738 1.00 0.00 N ATOM 158 CA ASP A 56 4.923 7.613 2.098 1.00 0.00 C ATOM 159 C ASP A 56 4.563 9.087 2.115 1.00 0.00 C ATOM 160 O ASP A 56 5.348 9.942 1.700 1.00 0.00 O ATOM 161 CB ASP A 56 6.082 7.338 3.043 1.00 0.00 C ATOM 162 CG ASP A 56 5.643 7.239 4.487 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.425 7.370 4.783 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.511 7.014 5.339 1.00 0.00 O ATOM 0 H ASP A 56 6.217 6.924 0.592 1.00 0.00 H new ATOM 0 HA ASP A 56 4.064 7.038 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.571 6.409 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.822 8.132 2.946 1.00 0.00 H new ATOM 169 N ALA A 57 3.378 9.367 2.619 1.00 0.00 N ATOM 170 CA ALA A 57 2.823 10.709 2.568 1.00 0.00 C ATOM 171 C ALA A 57 3.065 11.436 3.877 1.00 0.00 C ATOM 172 O ALA A 57 3.111 12.664 3.931 1.00 0.00 O ATOM 173 CB ALA A 57 1.334 10.654 2.254 1.00 0.00 C ATOM 0 H ALA A 57 2.776 8.680 3.072 1.00 0.00 H new ATOM 0 HA ALA A 57 3.324 11.261 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.932 11.667 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.183 10.170 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.819 10.086 3.029 1.00 0.00 H new ATOM 179 N ASP A 58 3.225 10.661 4.936 1.00 0.00 N ATOM 180 CA ASP A 58 3.391 11.220 6.267 1.00 0.00 C ATOM 181 C ASP A 58 4.737 10.836 6.870 1.00 0.00 C ATOM 182 O ASP A 58 5.077 11.278 7.965 1.00 0.00 O ATOM 183 CB ASP A 58 2.260 10.756 7.183 1.00 0.00 C ATOM 184 CG ASP A 58 2.339 9.280 7.501 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.796 8.492 6.633 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.929 8.893 8.612 1.00 0.00 O ATOM 0 H ASP A 58 3.244 9.642 4.900 1.00 0.00 H new ATOM 0 HA ASP A 58 3.358 12.306 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.292 11.326 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.302 10.971 6.709 1.00 0.00 H new ATOM 191 N GLY A 59 5.510 10.025 6.151 1.00 0.00 N ATOM 192 CA GLY A 59 6.823 9.637 6.644 1.00 0.00 C ATOM 193 C GLY A 59 6.785 8.722 7.860 1.00 0.00 C ATOM 194 O GLY A 59 7.676 8.781 8.705 1.00 0.00 O ATOM 0 H GLY A 59 5.255 9.633 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.367 9.136 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.385 10.536 6.897 1.00 0.00 H new ATOM 198 N ASN A 60 5.765 7.878 7.956 1.00 0.00 N ATOM 199 CA ASN A 60 5.678 6.907 9.047 1.00 0.00 C ATOM 200 C ASN A 60 6.308 5.572 8.646 1.00 0.00 C ATOM 201 O ASN A 60 6.324 4.620 9.426 1.00 0.00 O ATOM 202 CB ASN A 60 4.220 6.705 9.487 1.00 0.00 C ATOM 203 CG ASN A 60 3.338 6.062 8.426 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.617 6.139 7.225 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.247 5.452 8.861 1.00 0.00 N ATOM 0 H ASN A 60 4.988 7.844 7.296 1.00 0.00 H new ATOM 0 HA ASN A 60 6.238 7.306 9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.204 6.085 10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.796 7.671 9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.602 5.025 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.051 5.409 9.861 1.00 0.00 H new ATOM 212 N GLY A 61 6.805 5.504 7.418 1.00 0.00 N ATOM 213 CA GLY A 61 7.516 4.328 6.958 1.00 0.00 C ATOM 214 C GLY A 61 6.652 3.416 6.113 1.00 0.00 C ATOM 215 O GLY A 61 7.115 2.387 5.625 1.00 0.00 O ATOM 0 H GLY A 61 6.727 6.250 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.385 4.638 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.888 3.774 7.819 1.00 0.00 H new ATOM 219 N THR A 62 5.397 3.794 5.927 1.00 0.00 N ATOM 220 CA THR A 62 4.458 2.950 5.213 1.00 0.00 C ATOM 221 C THR A 62 3.294 3.781 4.687 1.00 0.00 C ATOM 222 O THR A 62 3.200 4.989 4.946 1.00 0.00 O ATOM 223 CB THR A 62 3.909 1.830 6.139 1.00 0.00 C ATOM 224 OG1 THR A 62 3.097 0.910 5.396 1.00 0.00 O ATOM 225 CG2 THR A 62 3.092 2.420 7.281 1.00 0.00 C ATOM 0 H THR A 62 5.008 4.676 6.260 1.00 0.00 H new ATOM 0 HA THR A 62 4.987 2.493 4.377 1.00 0.00 H new ATOM 0 HB THR A 62 4.764 1.297 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.633 0.129 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.719 1.616 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.721 3.086 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.251 2.981 6.874 1.00 0.00 H new ATOM 233 N ILE A 63 2.428 3.136 3.933 1.00 0.00 N ATOM 234 CA ILE A 63 1.156 3.713 3.585 1.00 0.00 C ATOM 235 C ILE A 63 0.126 3.216 4.589 1.00 0.00 C ATOM 236 O ILE A 63 0.191 2.067 5.037 1.00 0.00 O ATOM 237 CB ILE A 63 0.737 3.349 2.134 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.529 4.618 1.311 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.524 2.487 2.102 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.094 4.349 -0.113 1.00 0.00 C ATOM 0 H ILE A 63 2.588 2.205 3.549 1.00 0.00 H new ATOM 0 HA ILE A 63 1.227 4.800 3.622 1.00 0.00 H new ATOM 0 HB ILE A 63 1.546 2.763 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.221 5.240 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.457 5.189 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.781 2.256 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.345 1.560 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.347 3.029 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.035 5.295 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.853 3.753 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.851 3.805 -0.108 1.00 0.00 H new ATOM 252 N ASP A 64 -0.798 4.078 4.954 1.00 0.00 N ATOM 253 CA ASP A 64 -1.863 3.722 5.870 1.00 0.00 C ATOM 254 C ASP A 64 -3.154 3.759 5.088 1.00 0.00 C ATOM 255 O ASP A 64 -3.126 4.076 3.898 1.00 0.00 O ATOM 256 CB ASP A 64 -1.930 4.699 7.047 1.00 0.00 C ATOM 257 CG ASP A 64 -0.963 4.355 8.159 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.214 4.061 7.854 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.375 4.343 9.334 1.00 0.00 O ATOM 0 H ASP A 64 -0.834 5.043 4.626 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.684 2.731 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.718 5.706 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.944 4.709 7.446 1.00 0.00 H new ATOM 264 N PHE A 65 -4.275 3.454 5.718 1.00 0.00 N ATOM 265 CA PHE A 65 -5.555 3.593 5.042 1.00 0.00 C ATOM 266 C PHE A 65 -5.742 5.023 4.514 1.00 0.00 C ATOM 267 O PHE A 65 -5.999 5.202 3.325 1.00 0.00 O ATOM 268 CB PHE A 65 -6.716 3.168 5.949 1.00 0.00 C ATOM 269 CG PHE A 65 -6.799 1.682 6.122 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.461 0.905 5.188 1.00 0.00 C ATOM 271 CD2 PHE A 65 -6.207 1.059 7.207 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.528 -0.465 5.331 1.00 0.00 C ATOM 273 CE2 PHE A 65 -6.274 -0.310 7.357 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.934 -1.074 6.418 1.00 0.00 C ATOM 0 H PHE A 65 -4.327 3.115 6.678 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.557 2.921 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.600 3.638 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.653 3.534 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.931 1.377 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.687 1.652 7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.045 -1.061 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.810 -0.784 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.986 -2.147 6.533 1.00 0.00 H new ATOM 284 N PRO A 66 -5.579 6.064 5.366 1.00 0.00 N ATOM 285 CA PRO A 66 -5.639 7.458 4.914 1.00 0.00 C ATOM 286 C PRO A 66 -4.698 7.730 3.740 1.00 0.00 C ATOM 287 O PRO A 66 -5.114 8.282 2.720 1.00 0.00 O ATOM 288 CB PRO A 66 -5.206 8.272 6.145 1.00 0.00 C ATOM 289 CG PRO A 66 -4.664 7.279 7.116 1.00 0.00 C ATOM 290 CD PRO A 66 -5.364 5.988 6.819 1.00 0.00 C ATOM 0 HA PRO A 66 -6.634 7.716 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.451 9.012 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.049 8.816 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.585 7.173 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.848 7.596 8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.757 5.126 7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.304 5.903 7.364 1.00 0.00 H new ATOM 298 N GLU A 67 -3.430 7.335 3.880 1.00 0.00 N ATOM 299 CA GLU A 67 -2.444 7.564 2.826 1.00 0.00 C ATOM 300 C GLU A 67 -2.843 6.880 1.517 1.00 0.00 C ATOM 301 O GLU A 67 -2.888 7.525 0.471 1.00 0.00 O ATOM 302 CB GLU A 67 -1.061 7.075 3.253 1.00 0.00 C ATOM 303 CG GLU A 67 -0.531 7.758 4.500 1.00 0.00 C ATOM 304 CD GLU A 67 0.874 7.318 4.852 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.837 7.748 4.201 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.055 6.504 5.771 1.00 0.00 O ATOM 0 H GLU A 67 -3.066 6.859 4.706 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.409 8.640 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.104 6.000 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.359 7.237 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.543 8.838 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.195 7.544 5.337 1.00 0.00 H new ATOM 313 N PHE A 68 -3.143 5.583 1.583 1.00 0.00 N ATOM 314 CA PHE A 68 -3.437 4.796 0.386 1.00 0.00 C ATOM 315 C PHE A 68 -4.662 5.335 -0.337 1.00 0.00 C ATOM 316 O PHE A 68 -4.639 5.544 -1.559 1.00 0.00 O ATOM 317 CB PHE A 68 -3.656 3.327 0.756 1.00 0.00 C ATOM 318 CG PHE A 68 -3.832 2.423 -0.432 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.749 2.079 -1.223 1.00 0.00 C ATOM 320 CD2 PHE A 68 -5.081 1.915 -0.755 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.906 1.246 -2.316 1.00 0.00 C ATOM 322 CE2 PHE A 68 -5.245 1.083 -1.845 1.00 0.00 C ATOM 323 CZ PHE A 68 -4.156 0.748 -2.627 1.00 0.00 C ATOM 0 H PHE A 68 -3.189 5.055 2.454 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.581 4.873 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.806 2.979 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.537 3.250 1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.769 2.466 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.936 2.173 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.053 0.986 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.223 0.695 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.282 0.098 -3.480 1.00 0.00 H new ATOM 333 N LEU A 69 -5.727 5.558 0.415 1.00 0.00 N ATOM 334 CA LEU A 69 -6.943 6.090 -0.149 1.00 0.00 C ATOM 335 C LEU A 69 -6.702 7.433 -0.805 1.00 0.00 C ATOM 336 O LEU A 69 -7.167 7.664 -1.915 1.00 0.00 O ATOM 337 CB LEU A 69 -8.015 6.208 0.923 1.00 0.00 C ATOM 338 CG LEU A 69 -8.882 4.969 1.082 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.505 4.626 -0.257 1.00 0.00 C ATOM 340 CD2 LEU A 69 -8.081 3.794 1.619 1.00 0.00 C ATOM 0 H LEU A 69 -5.768 5.377 1.418 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.288 5.399 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.535 6.426 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.656 7.057 0.687 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.667 5.180 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.129 3.738 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.117 5.461 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.718 4.432 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.732 2.926 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.270 3.561 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.666 4.052 2.593 1.00 0.00 H new ATOM 352 N THR A 70 -5.974 8.306 -0.124 1.00 0.00 N ATOM 353 CA THR A 70 -5.659 9.614 -0.673 1.00 0.00 C ATOM 354 C THR A 70 -4.794 9.498 -1.935 1.00 0.00 C ATOM 355 O THR A 70 -4.923 10.297 -2.855 1.00 0.00 O ATOM 356 CB THR A 70 -4.957 10.506 0.374 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.763 10.589 1.558 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.713 11.910 -0.166 1.00 0.00 C ATOM 0 H THR A 70 -5.592 8.132 0.806 1.00 0.00 H new ATOM 0 HA THR A 70 -6.604 10.083 -0.948 1.00 0.00 H new ATOM 0 HB THR A 70 -3.993 10.054 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.459 9.921 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.218 12.512 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.081 11.854 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.666 12.370 -0.428 1.00 0.00 H new ATOM 366 N MET A 71 -3.900 8.513 -1.963 1.00 0.00 N ATOM 367 CA MET A 71 -3.120 8.215 -3.172 1.00 0.00 C ATOM 368 C MET A 71 -4.036 8.044 -4.385 1.00 0.00 C ATOM 369 O MET A 71 -3.736 8.542 -5.472 1.00 0.00 O ATOM 370 CB MET A 71 -2.264 6.958 -2.986 1.00 0.00 C ATOM 371 CG MET A 71 -1.135 7.129 -1.985 1.00 0.00 C ATOM 372 SD MET A 71 0.110 8.320 -2.522 1.00 0.00 S ATOM 373 CE MET A 71 0.810 7.469 -3.935 1.00 0.00 C ATOM 0 H MET A 71 -3.695 7.907 -1.169 1.00 0.00 H new ATOM 0 HA MET A 71 -2.457 9.062 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.905 6.138 -2.661 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.843 6.671 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.550 7.451 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.657 6.164 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.881 7.333 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.332 6.496 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.643 8.060 -4.835 1.00 0.00 H new ATOM 383 N MET A 72 -5.144 7.336 -4.198 1.00 0.00 N ATOM 384 CA MET A 72 -6.161 7.225 -5.245 1.00 0.00 C ATOM 385 C MET A 72 -6.948 8.534 -5.351 1.00 0.00 C ATOM 386 O MET A 72 -6.971 9.174 -6.398 1.00 0.00 O ATOM 387 CB MET A 72 -7.122 6.067 -4.957 1.00 0.00 C ATOM 388 CG MET A 72 -8.211 5.915 -6.010 1.00 0.00 C ATOM 389 SD MET A 72 -7.559 5.414 -7.618 1.00 0.00 S ATOM 390 CE MET A 72 -6.900 3.794 -7.226 1.00 0.00 C ATOM 0 H MET A 72 -5.363 6.832 -3.339 1.00 0.00 H new ATOM 0 HA MET A 72 -5.655 7.027 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.554 5.139 -4.895 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.586 6.222 -3.983 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.938 5.177 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.743 6.861 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.789 3.215 -8.143 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.928 3.903 -6.746 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.582 3.277 -6.551 1.00 0.00 H new ATOM 400 N ALA A 73 -7.602 8.883 -4.244 1.00 0.00 N ATOM 401 CA ALA A 73 -8.364 10.129 -4.066 1.00 0.00 C ATOM 402 C ALA A 73 -7.655 11.402 -4.521 1.00 0.00 C ATOM 403 O ALA A 73 -8.264 12.471 -4.487 1.00 0.00 O ATOM 404 CB ALA A 73 -8.784 10.277 -2.613 1.00 0.00 C ATOM 0 H ALA A 73 -7.620 8.289 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.228 10.026 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.348 11.202 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.408 9.431 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.898 10.305 -1.979 1.00 0.00 H new ATOM 410 N ARG A 74 -6.382 11.305 -4.900 1.00 0.00 N ATOM 411 CA ARG A 74 -5.561 12.478 -5.168 1.00 0.00 C ATOM 412 C ARG A 74 -6.287 13.475 -6.062 1.00 0.00 C ATOM 413 O ARG A 74 -6.202 14.685 -5.844 1.00 0.00 O ATOM 414 CB ARG A 74 -4.220 12.092 -5.793 1.00 0.00 C ATOM 415 CG ARG A 74 -3.093 11.998 -4.781 1.00 0.00 C ATOM 416 CD ARG A 74 -1.758 11.719 -5.448 1.00 0.00 C ATOM 417 NE ARG A 74 -1.692 10.377 -6.026 1.00 0.00 N ATOM 418 CZ ARG A 74 -0.581 9.842 -6.532 1.00 0.00 C ATOM 419 NH1 ARG A 74 0.534 10.556 -6.605 1.00 0.00 N ATOM 420 NH2 ARG A 74 -0.587 8.597 -6.986 1.00 0.00 N ATOM 0 H ARG A 74 -5.896 10.417 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.368 12.955 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.325 11.133 -6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.956 12.827 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.031 12.930 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.313 11.207 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.585 12.457 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.958 11.836 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.545 9.818 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.545 11.520 -6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.381 10.141 -6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.444 8.045 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.265 8.191 -7.373 1.00 0.00 H new ATOM 544 N GLU A 82 -14.137 -0.462 2.090 1.00 0.00 N ATOM 545 CA GLU A 82 -12.932 -0.403 2.899 1.00 0.00 C ATOM 546 C GLU A 82 -12.444 -1.790 3.261 1.00 0.00 C ATOM 547 O GLU A 82 -11.260 -1.986 3.496 1.00 0.00 O ATOM 548 CB GLU A 82 -13.179 0.400 4.173 1.00 0.00 C ATOM 549 CG GLU A 82 -13.121 1.897 3.960 1.00 0.00 C ATOM 550 CD GLU A 82 -13.505 2.676 5.200 1.00 0.00 C ATOM 551 OE1 GLU A 82 -14.698 2.668 5.566 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.618 3.297 5.821 1.00 0.00 O ATOM 0 HA GLU A 82 -12.163 0.091 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.156 0.135 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.438 0.118 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.113 2.178 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.788 2.170 3.142 1.00 0.00 H new ATOM 559 N GLU A 83 -13.349 -2.753 3.304 1.00 0.00 N ATOM 560 CA GLU A 83 -12.975 -4.111 3.664 1.00 0.00 C ATOM 561 C GLU A 83 -12.235 -4.788 2.520 1.00 0.00 C ATOM 562 O GLU A 83 -11.380 -5.646 2.748 1.00 0.00 O ATOM 563 CB GLU A 83 -14.198 -4.910 4.100 1.00 0.00 C ATOM 564 CG GLU A 83 -14.861 -4.322 5.331 1.00 0.00 C ATOM 565 CD GLU A 83 -15.819 -5.278 5.999 1.00 0.00 C ATOM 566 OE1 GLU A 83 -15.347 -6.194 6.694 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.046 -5.105 5.848 1.00 0.00 O ATOM 0 H GLU A 83 -14.339 -2.623 3.096 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.293 -4.069 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.918 -4.942 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.903 -5.939 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.092 -4.028 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.398 -3.416 5.050 1.00 0.00 H new ATOM 574 N GLU A 84 -12.545 -4.383 1.293 1.00 0.00 N ATOM 575 CA GLU A 84 -11.762 -4.800 0.138 1.00 0.00 C ATOM 576 C GLU A 84 -10.396 -4.135 0.198 1.00 0.00 C ATOM 577 O GLU A 84 -9.371 -4.751 -0.086 1.00 0.00 O ATOM 578 CB GLU A 84 -12.470 -4.424 -1.165 1.00 0.00 C ATOM 579 CG GLU A 84 -13.705 -5.259 -1.445 1.00 0.00 C ATOM 580 CD GLU A 84 -13.383 -6.729 -1.563 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.798 -7.135 -2.591 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.714 -7.488 -0.629 1.00 0.00 O ATOM 0 H GLU A 84 -13.330 -3.769 1.074 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.648 -5.884 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.754 -3.372 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.771 -4.534 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.431 -5.111 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.172 -4.916 -2.368 1.00 0.00 H new ATOM 589 N ILE A 85 -10.405 -2.868 0.589 1.00 0.00 N ATOM 590 CA ILE A 85 -9.176 -2.119 0.785 1.00 0.00 C ATOM 591 C ILE A 85 -8.317 -2.780 1.862 1.00 0.00 C ATOM 592 O ILE A 85 -7.109 -2.917 1.701 1.00 0.00 O ATOM 593 CB ILE A 85 -9.444 -0.642 1.155 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.268 0.035 0.057 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.134 0.106 1.374 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.624 -0.020 -1.313 1.00 0.00 C ATOM 0 H ILE A 85 -11.255 -2.337 0.777 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.640 -2.127 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.010 -0.616 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.248 -0.439 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.432 1.078 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.346 1.143 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.578 -0.364 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.540 0.075 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.267 0.480 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.656 0.480 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.485 -1.060 -1.608 1.00 0.00 H new ATOM 608 N ARG A 86 -8.955 -3.230 2.939 1.00 0.00 N ATOM 609 CA ARG A 86 -8.248 -3.914 4.019 1.00 0.00 C ATOM 610 C ARG A 86 -7.646 -5.221 3.507 1.00 0.00 C ATOM 611 O ARG A 86 -6.528 -5.601 3.869 1.00 0.00 O ATOM 612 CB ARG A 86 -9.188 -4.199 5.201 1.00 0.00 C ATOM 613 CG ARG A 86 -9.769 -2.950 5.851 1.00 0.00 C ATOM 614 CD ARG A 86 -10.432 -3.272 7.182 1.00 0.00 C ATOM 615 NE ARG A 86 -11.541 -4.220 7.047 1.00 0.00 N ATOM 616 CZ ARG A 86 -11.693 -5.297 7.823 1.00 0.00 C ATOM 617 NH1 ARG A 86 -10.777 -5.601 8.738 1.00 0.00 N ATOM 618 NH2 ARG A 86 -12.758 -6.079 7.686 1.00 0.00 N ATOM 0 H ARG A 86 -9.960 -3.134 3.088 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.448 -3.261 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.007 -4.830 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.644 -4.768 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.977 -2.217 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.498 -2.495 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.688 -3.684 7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.800 -2.350 7.632 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.236 -4.048 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.953 -5.011 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.899 -6.425 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.466 -5.859 6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.868 -6.900 8.282 1.00 0.00 H new ATOM 632 N GLU A 87 -8.383 -5.886 2.632 1.00 0.00 N ATOM 633 CA GLU A 87 -7.933 -7.132 2.046 1.00 0.00 C ATOM 634 C GLU A 87 -6.790 -6.855 1.070 1.00 0.00 C ATOM 635 O GLU A 87 -5.868 -7.653 0.932 1.00 0.00 O ATOM 636 CB GLU A 87 -9.096 -7.837 1.352 1.00 0.00 C ATOM 637 CG GLU A 87 -8.791 -9.267 0.943 1.00 0.00 C ATOM 638 CD GLU A 87 -10.037 -10.026 0.540 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.763 -10.506 1.431 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.293 -10.149 -0.675 1.00 0.00 O ATOM 0 H GLU A 87 -9.301 -5.578 2.312 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.563 -7.792 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.959 -7.836 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.377 -7.268 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.086 -9.263 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.305 -9.784 1.771 1.00 0.00 H new ATOM 647 N ALA A 88 -6.850 -5.699 0.419 1.00 0.00 N ATOM 648 CA ALA A 88 -5.768 -5.245 -0.441 1.00 0.00 C ATOM 649 C ALA A 88 -4.513 -4.995 0.383 1.00 0.00 C ATOM 650 O ALA A 88 -3.415 -5.341 -0.029 1.00 0.00 O ATOM 651 CB ALA A 88 -6.172 -3.984 -1.191 1.00 0.00 C ATOM 0 H ALA A 88 -7.641 -5.058 0.472 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.557 -6.024 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.349 -3.661 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.048 -4.191 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.409 -3.196 -0.476 1.00 0.00 H new ATOM 657 N PHE A 89 -4.691 -4.418 1.567 1.00 0.00 N ATOM 658 CA PHE A 89 -3.581 -4.197 2.490 1.00 0.00 C ATOM 659 C PHE A 89 -2.925 -5.526 2.860 1.00 0.00 C ATOM 660 O PHE A 89 -1.727 -5.586 3.128 1.00 0.00 O ATOM 661 CB PHE A 89 -4.055 -3.474 3.756 1.00 0.00 C ATOM 662 CG PHE A 89 -4.061 -1.973 3.635 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.924 -1.345 2.755 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.217 -1.193 4.404 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.945 0.031 2.642 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.232 0.184 4.295 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.050 0.795 3.411 1.00 0.00 C ATOM 0 H PHE A 89 -5.595 -4.094 1.911 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.847 -3.566 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.062 -3.813 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.411 -3.759 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.591 -1.939 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.538 -1.666 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.640 0.514 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.584 0.777 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.017 1.868 3.295 1.00 0.00 H new ATOM 677 N ARG A 90 -3.727 -6.583 2.875 1.00 0.00 N ATOM 678 CA ARG A 90 -3.221 -7.931 3.124 1.00 0.00 C ATOM 679 C ARG A 90 -2.502 -8.503 1.897 1.00 0.00 C ATOM 680 O ARG A 90 -1.511 -9.218 2.034 1.00 0.00 O ATOM 681 CB ARG A 90 -4.374 -8.852 3.528 1.00 0.00 C ATOM 682 CG ARG A 90 -4.988 -8.496 4.869 1.00 0.00 C ATOM 683 CD ARG A 90 -6.296 -9.231 5.100 1.00 0.00 C ATOM 684 NE ARG A 90 -6.160 -10.674 4.921 1.00 0.00 N ATOM 685 CZ ARG A 90 -7.118 -11.550 5.210 1.00 0.00 C ATOM 686 NH1 ARG A 90 -8.247 -11.146 5.784 1.00 0.00 N ATOM 687 NH2 ARG A 90 -6.940 -12.835 4.944 1.00 0.00 N ATOM 0 H ARG A 90 -4.734 -6.535 2.717 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.496 -7.871 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.147 -8.812 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.013 -9.880 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.287 -8.741 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.161 -7.421 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.653 -9.024 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.050 -8.851 4.411 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.278 -11.031 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.382 -10.159 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.978 -11.823 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.069 -13.152 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.674 -13.508 5.165 1.00 0.00 H new ATOM 701 N VAL A 91 -3.004 -8.180 0.710 1.00 0.00 N ATOM 702 CA VAL A 91 -2.448 -8.702 -0.539 1.00 0.00 C ATOM 703 C VAL A 91 -1.177 -7.960 -0.939 1.00 0.00 C ATOM 704 O VAL A 91 -0.170 -8.577 -1.298 1.00 0.00 O ATOM 705 CB VAL A 91 -3.474 -8.595 -1.689 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.821 -8.867 -3.040 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.633 -9.552 -1.458 1.00 0.00 C ATOM 0 H VAL A 91 -3.800 -7.555 0.584 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.206 -9.750 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.858 -7.575 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.569 -8.784 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.028 -8.140 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.399 -9.872 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.347 -9.464 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.257 -10.574 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.127 -9.305 -0.518 1.00 0.00 H new ATOM 717 N PHE A 92 -1.247 -6.636 -0.895 1.00 0.00 N ATOM 718 CA PHE A 92 -0.129 -5.787 -1.277 1.00 0.00 C ATOM 719 C PHE A 92 1.081 -6.051 -0.394 1.00 0.00 C ATOM 720 O PHE A 92 2.205 -6.169 -0.879 1.00 0.00 O ATOM 721 CB PHE A 92 -0.528 -4.306 -1.194 1.00 0.00 C ATOM 722 CG PHE A 92 -1.346 -3.820 -2.365 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.606 -4.338 -2.625 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.845 -2.844 -3.213 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.346 -3.893 -3.703 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.580 -2.397 -4.293 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.833 -2.922 -4.538 1.00 0.00 C ATOM 0 H PHE A 92 -2.076 -6.124 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 92 0.138 -6.025 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.095 -4.145 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.376 -3.701 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.014 -5.099 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.134 -2.428 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.326 -4.305 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.175 -1.637 -4.945 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.410 -2.573 -5.381 1.00 0.00 H new ATOM 737 N ASP A 93 0.839 -6.154 0.898 1.00 0.00 N ATOM 738 CA ASP A 93 1.904 -6.383 1.860 1.00 0.00 C ATOM 739 C ASP A 93 2.500 -7.791 1.709 1.00 0.00 C ATOM 740 O ASP A 93 1.808 -8.742 1.350 1.00 0.00 O ATOM 741 CB ASP A 93 1.362 -6.182 3.275 1.00 0.00 C ATOM 742 CG ASP A 93 2.460 -6.088 4.305 1.00 0.00 C ATOM 743 OD1 ASP A 93 2.996 -7.107 4.745 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.808 -4.990 4.728 1.00 0.00 O ATOM 0 H ASP A 93 -0.091 -6.082 1.310 1.00 0.00 H new ATOM 0 HA ASP A 93 2.703 -5.666 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.761 -5.273 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.700 -7.010 3.528 1.00 0.00 H new ATOM 749 N LYS A 94 3.792 -7.904 2.011 1.00 0.00 N ATOM 750 CA LYS A 94 4.496 -9.190 1.956 1.00 0.00 C ATOM 751 C LYS A 94 4.032 -10.097 3.083 1.00 0.00 C ATOM 752 O LYS A 94 3.740 -11.274 2.885 1.00 0.00 O ATOM 753 CB LYS A 94 6.006 -9.013 2.112 1.00 0.00 C ATOM 754 CG LYS A 94 6.708 -8.326 0.960 1.00 0.00 C ATOM 755 CD LYS A 94 8.206 -8.293 1.213 1.00 0.00 C ATOM 756 CE LYS A 94 8.957 -7.512 0.153 1.00 0.00 C ATOM 757 NZ LYS A 94 10.415 -7.484 0.436 1.00 0.00 N ATOM 0 H LYS A 94 4.377 -7.119 2.298 1.00 0.00 H new ATOM 0 HA LYS A 94 4.272 -9.627 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.195 -8.442 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.456 -9.996 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.499 -8.853 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.328 -7.311 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.396 -7.849 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.588 -9.313 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.783 -7.961 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.573 -6.493 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.902 -6.943 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.581 -7.034 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.784 -8.456 0.454 1.00 0.00 H new ATOM 771 N ASP A 95 3.964 -9.521 4.268 1.00 0.00 N ATOM 772 CA ASP A 95 3.698 -10.262 5.488 1.00 0.00 C ATOM 773 C ASP A 95 2.281 -9.981 5.973 1.00 0.00 C ATOM 774 O ASP A 95 1.891 -10.379 7.072 1.00 0.00 O ATOM 775 CB ASP A 95 4.724 -9.879 6.563 1.00 0.00 C ATOM 776 CG ASP A 95 4.595 -8.438 7.028 1.00 0.00 C ATOM 777 OD1 ASP A 95 4.983 -7.537 6.266 1.00 0.00 O ATOM 778 OD2 ASP A 95 4.104 -8.196 8.163 1.00 0.00 O ATOM 0 H ASP A 95 4.092 -8.520 4.413 1.00 0.00 H new ATOM 0 HA ASP A 95 3.786 -11.330 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.607 -10.542 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.728 -10.039 6.171 1.00 0.00 H new ATOM 783 N GLY A 96 1.520 -9.304 5.112 1.00 0.00 N ATOM 784 CA GLY A 96 0.134 -8.962 5.381 1.00 0.00 C ATOM 785 C GLY A 96 -0.120 -8.324 6.735 1.00 0.00 C ATOM 786 O GLY A 96 -1.141 -8.613 7.355 1.00 0.00 O ATOM 0 H GLY A 96 1.855 -8.979 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.213 -8.280 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.469 -9.867 5.304 1.00 0.00 H new ATOM 790 N ASN A 97 0.768 -7.447 7.211 1.00 0.00 N ATOM 791 CA ASN A 97 0.581 -6.802 8.517 1.00 0.00 C ATOM 792 C ASN A 97 -0.464 -5.679 8.492 1.00 0.00 C ATOM 793 O ASN A 97 -0.455 -4.800 9.352 1.00 0.00 O ATOM 794 CB ASN A 97 1.920 -6.253 9.037 1.00 0.00 C ATOM 795 CG ASN A 97 2.549 -5.213 8.119 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.325 -5.544 7.213 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.230 -3.949 8.348 1.00 0.00 N ATOM 0 H ASN A 97 1.616 -7.168 6.718 1.00 0.00 H new ATOM 0 HA ASN A 97 0.205 -7.573 9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.764 -5.811 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.617 -7.081 9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.627 -3.210 7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.587 -3.714 9.104 1.00 0.00 H new ATOM 804 N GLY A 98 -1.360 -5.707 7.511 1.00 0.00 N ATOM 805 CA GLY A 98 -2.453 -4.749 7.474 1.00 0.00 C ATOM 806 C GLY A 98 -2.023 -3.360 7.042 1.00 0.00 C ATOM 807 O GLY A 98 -2.714 -2.383 7.321 1.00 0.00 O ATOM 0 H GLY A 98 -1.350 -6.375 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.221 -5.112 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.908 -4.689 8.463 1.00 0.00 H new ATOM 811 N TYR A 99 -0.892 -3.276 6.355 1.00 0.00 N ATOM 812 CA TYR A 99 -0.371 -1.999 5.875 1.00 0.00 C ATOM 813 C TYR A 99 0.340 -2.202 4.556 1.00 0.00 C ATOM 814 O TYR A 99 0.882 -3.267 4.307 1.00 0.00 O ATOM 815 CB TYR A 99 0.586 -1.359 6.888 1.00 0.00 C ATOM 816 CG TYR A 99 -0.113 -0.784 8.094 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.758 0.441 8.026 1.00 0.00 C ATOM 818 CD2 TYR A 99 -0.104 -1.459 9.306 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.375 0.982 9.133 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.722 -0.928 10.420 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.447 0.251 10.297 1.00 0.00 C ATOM 822 OH TYR A 99 -1.966 0.833 11.443 1.00 0.00 O ATOM 0 H TYR A 99 -0.313 -4.081 6.115 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.215 -1.322 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.307 -2.107 7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.151 -0.568 6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.777 0.980 7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.394 -2.414 9.379 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.800 1.974 9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.643 -1.423 11.376 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.947 0.184 12.177 1.00 0.00 H new ATOM 832 N ILE A 100 0.312 -1.199 3.701 1.00 0.00 N ATOM 833 CA ILE A 100 0.991 -1.288 2.420 1.00 0.00 C ATOM 834 C ILE A 100 2.247 -0.416 2.435 1.00 0.00 C ATOM 835 O ILE A 100 2.173 0.804 2.326 1.00 0.00 O ATOM 836 CB ILE A 100 0.050 -0.850 1.271 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.291 -1.582 1.377 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.682 -1.122 -0.085 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.310 -1.155 0.337 1.00 0.00 C ATOM 0 H ILE A 100 -0.171 -0.316 3.867 1.00 0.00 H new ATOM 0 HA ILE A 100 1.279 -2.325 2.250 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.119 0.223 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.117 -2.654 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.708 -1.414 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.000 -0.805 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.617 -0.568 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.883 -2.189 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.232 -1.719 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.515 -0.090 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.915 -1.349 -0.660 1.00 0.00 H new ATOM 851 N SER A 101 3.402 -1.044 2.592 1.00 0.00 N ATOM 852 CA SER A 101 4.663 -0.314 2.642 1.00 0.00 C ATOM 853 C SER A 101 5.340 -0.339 1.275 1.00 0.00 C ATOM 854 O SER A 101 4.812 -0.929 0.341 1.00 0.00 O ATOM 855 CB SER A 101 5.579 -0.919 3.704 1.00 0.00 C ATOM 856 OG SER A 101 4.874 -1.136 4.914 1.00 0.00 O ATOM 0 H SER A 101 3.494 -2.055 2.687 1.00 0.00 H new ATOM 0 HA SER A 101 4.460 0.723 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.988 -1.862 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.423 -0.253 3.884 1.00 0.00 H new ATOM 0 HG SER A 101 5.479 -1.525 5.580 1.00 0.00 H new ATOM 862 N ALA A 102 6.504 0.280 1.156 1.00 0.00 N ATOM 863 CA ALA A 102 7.171 0.391 -0.138 1.00 0.00 C ATOM 864 C ALA A 102 7.638 -0.966 -0.650 1.00 0.00 C ATOM 865 O ALA A 102 7.319 -1.356 -1.777 1.00 0.00 O ATOM 866 CB ALA A 102 8.341 1.339 -0.048 1.00 0.00 C ATOM 0 H ALA A 102 7.006 0.711 1.932 1.00 0.00 H new ATOM 0 HA ALA A 102 6.443 0.785 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.827 1.410 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.988 2.325 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.054 0.968 0.688 1.00 0.00 H new ATOM 872 N ALA A 103 8.422 -1.666 0.168 1.00 0.00 N ATOM 873 CA ALA A 103 8.843 -3.031 -0.147 1.00 0.00 C ATOM 874 C ALA A 103 7.648 -3.912 -0.491 1.00 0.00 C ATOM 875 O ALA A 103 7.739 -4.807 -1.334 1.00 0.00 O ATOM 876 CB ALA A 103 9.624 -3.622 1.015 1.00 0.00 C ATOM 0 H ALA A 103 8.779 -1.310 1.055 1.00 0.00 H new ATOM 0 HA ALA A 103 9.491 -2.992 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.931 -4.638 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.507 -3.013 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.995 -3.640 1.905 1.00 0.00 H new ATOM 882 N GLU A 104 6.522 -3.627 0.140 1.00 0.00 N ATOM 883 CA GLU A 104 5.304 -4.380 -0.097 1.00 0.00 C ATOM 884 C GLU A 104 4.708 -3.972 -1.430 1.00 0.00 C ATOM 885 O GLU A 104 4.293 -4.819 -2.222 1.00 0.00 O ATOM 886 CB GLU A 104 4.283 -4.107 0.994 1.00 0.00 C ATOM 887 CG GLU A 104 4.885 -3.926 2.392 1.00 0.00 C ATOM 888 CD GLU A 104 5.623 -5.148 2.930 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.555 -5.624 2.265 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.267 -5.634 4.040 1.00 0.00 O ATOM 0 H GLU A 104 6.427 -2.876 0.823 1.00 0.00 H new ATOM 0 HA GLU A 104 5.552 -5.441 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.722 -3.209 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.570 -4.931 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.575 -3.082 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.086 -3.666 3.086 1.00 0.00 H new ATOM 897 N LEU A 105 4.711 -2.657 -1.680 1.00 0.00 N ATOM 898 CA LEU A 105 4.166 -2.101 -2.908 1.00 0.00 C ATOM 899 C LEU A 105 4.779 -2.803 -4.094 1.00 0.00 C ATOM 900 O LEU A 105 4.084 -3.241 -4.984 1.00 0.00 O ATOM 901 CB LEU A 105 4.465 -0.600 -3.030 1.00 0.00 C ATOM 902 CG LEU A 105 3.258 0.342 -2.976 1.00 0.00 C ATOM 903 CD1 LEU A 105 2.019 -0.315 -3.578 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.004 0.806 -1.550 1.00 0.00 C ATOM 0 H LEU A 105 5.089 -1.960 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 105 3.086 -2.245 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.151 -0.322 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.988 -0.431 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 105 3.485 1.221 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.178 0.377 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.213 -0.572 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.779 -1.220 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.143 1.474 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.806 -0.058 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.881 1.335 -1.178 1.00 0.00 H new ATOM 916 N ARG A 106 6.084 -2.971 -4.050 1.00 0.00 N ATOM 917 CA ARG A 106 6.793 -3.535 -5.181 1.00 0.00 C ATOM 918 C ARG A 106 6.584 -5.042 -5.250 1.00 0.00 C ATOM 919 O ARG A 106 6.351 -5.578 -6.326 1.00 0.00 O ATOM 920 CB ARG A 106 8.271 -3.156 -5.157 1.00 0.00 C ATOM 921 CG ARG A 106 8.489 -1.690 -5.500 1.00 0.00 C ATOM 922 CD ARG A 106 9.943 -1.371 -5.795 1.00 0.00 C ATOM 923 NE ARG A 106 10.124 0.040 -6.138 1.00 0.00 N ATOM 924 CZ ARG A 106 11.290 0.676 -6.093 1.00 0.00 C ATOM 925 NH1 ARG A 106 12.397 0.019 -5.767 1.00 0.00 N ATOM 926 NH2 ARG A 106 11.348 1.966 -6.398 1.00 0.00 N ATOM 0 H ARG A 106 6.671 -2.728 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 106 6.377 -3.107 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.682 -3.362 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.817 -3.779 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.880 -1.429 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.146 -1.071 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.554 -1.616 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.294 -1.994 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 106 9.303 0.569 -6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.354 -0.977 -5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.290 0.510 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.500 2.465 -6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.241 2.458 -6.365 1.00 0.00 H new ATOM 940 N HIS A 107 6.617 -5.704 -4.097 1.00 0.00 N ATOM 941 CA HIS A 107 6.339 -7.143 -3.999 1.00 0.00 C ATOM 942 C HIS A 107 5.038 -7.514 -4.715 1.00 0.00 C ATOM 943 O HIS A 107 4.979 -8.484 -5.468 1.00 0.00 O ATOM 944 CB HIS A 107 6.253 -7.546 -2.519 1.00 0.00 C ATOM 945 CG HIS A 107 5.744 -8.939 -2.272 1.00 0.00 C ATOM 946 ND1 HIS A 107 6.567 -10.033 -2.155 1.00 0.00 N ATOM 947 CD2 HIS A 107 4.482 -9.404 -2.100 1.00 0.00 C ATOM 948 CE1 HIS A 107 5.838 -11.108 -1.924 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.568 -10.758 -1.885 1.00 0.00 N ATOM 0 H HIS A 107 6.836 -5.264 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 107 7.152 -7.682 -4.486 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.243 -7.452 -2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.603 -6.840 -2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.576 -8.817 -2.127 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.219 -12.110 -1.789 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.781 -11.387 -1.723 1.00 0.00 H new ATOM 958 N VAL A 108 4.008 -6.728 -4.477 1.00 0.00 N ATOM 959 CA VAL A 108 2.705 -7.013 -5.060 1.00 0.00 C ATOM 960 C VAL A 108 2.617 -6.449 -6.478 1.00 0.00 C ATOM 961 O VAL A 108 2.064 -7.076 -7.380 1.00 0.00 O ATOM 962 CB VAL A 108 1.545 -6.462 -4.197 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.625 -4.950 -4.074 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.198 -6.888 -4.765 1.00 0.00 C ATOM 0 H VAL A 108 4.042 -5.894 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 108 2.602 -8.097 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 108 1.642 -6.885 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.798 -4.590 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.570 -4.672 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.565 -4.501 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.602 -6.489 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.093 -6.504 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.137 -7.976 -4.781 1.00 0.00 H new ATOM 974 N MET A 109 3.189 -5.266 -6.656 1.00 0.00 N ATOM 975 CA MET A 109 3.015 -4.492 -7.875 1.00 0.00 C ATOM 976 C MET A 109 3.810 -5.059 -9.060 1.00 0.00 C ATOM 977 O MET A 109 3.223 -5.643 -9.970 1.00 0.00 O ATOM 978 CB MET A 109 3.414 -3.040 -7.602 1.00 0.00 C ATOM 979 CG MET A 109 2.723 -2.026 -8.500 1.00 0.00 C ATOM 980 SD MET A 109 3.365 -0.352 -8.289 1.00 0.00 S ATOM 981 CE MET A 109 5.092 -0.594 -8.701 1.00 0.00 C ATOM 0 H MET A 109 3.785 -4.818 -5.960 1.00 0.00 H new ATOM 0 HA MET A 109 1.965 -4.547 -8.161 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.188 -2.802 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.493 -2.942 -7.724 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.843 -2.328 -9.540 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.654 -2.029 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.714 -0.271 -7.866 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.274 -1.650 -8.901 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.340 -0.009 -9.586 1.00 0.00 H new ATOM 991 N THR A 110 5.134 -4.901 -9.062 1.00 0.00 N ATOM 992 CA THR A 110 5.931 -5.273 -10.235 1.00 0.00 C ATOM 993 C THR A 110 7.127 -6.166 -9.877 1.00 0.00 C ATOM 994 O THR A 110 7.726 -6.801 -10.746 1.00 0.00 O ATOM 995 CB THR A 110 6.446 -4.002 -10.938 1.00 0.00 C ATOM 996 OG1 THR A 110 5.419 -3.000 -10.930 1.00 0.00 O ATOM 997 CG2 THR A 110 6.861 -4.295 -12.374 1.00 0.00 C ATOM 0 H THR A 110 5.671 -4.525 -8.281 1.00 0.00 H new ATOM 0 HA THR A 110 5.278 -5.842 -10.896 1.00 0.00 H new ATOM 0 HB THR A 110 7.321 -3.643 -10.397 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.684 -2.255 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.220 -3.379 -12.843 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.656 -5.040 -12.378 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.004 -4.676 -12.930 1.00 0.00 H new ATOM 1005 N ASN A 111 7.461 -6.223 -8.599 1.00 0.00 N ATOM 1006 CA ASN A 111 8.638 -6.951 -8.134 1.00 0.00 C ATOM 1007 C ASN A 111 8.245 -8.378 -7.743 1.00 0.00 C ATOM 1008 O ASN A 111 7.109 -8.794 -7.981 1.00 0.00 O ATOM 1009 CB ASN A 111 9.285 -6.197 -6.955 1.00 0.00 C ATOM 1010 CG ASN A 111 10.625 -6.762 -6.520 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.367 -7.327 -7.321 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.938 -6.622 -5.243 1.00 0.00 N ATOM 0 H ASN A 111 6.930 -5.770 -7.855 1.00 0.00 H new ATOM 0 HA ASN A 111 9.373 -7.014 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.417 -5.152 -7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.602 -6.216 -6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.822 -6.989 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.295 -6.147 -4.610 1.00 0.00 H new