USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 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 Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.139 (180deg=-0.755) USER MOD Single : A 53 ASN : amide:sc= 1.25 K(o=1.3,f=-0.11) USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.3!) USER MOD Single : A 62 THR OG1 : rot 140:sc= -0.921 USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 71 MET CE :methyl -159:sc= -0.279 (180deg=-1.38) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.22 X(o=-2.2,f=-2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 107 HIS : no HD1:sc= -0.997 X(o=-1,f=-1.2) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.385 0.081 -2.863 1.00 0.00 N ATOM 29 CA LEU A 48 13.027 0.612 -2.963 1.00 0.00 C ATOM 30 C LEU A 48 12.760 1.654 -1.880 1.00 0.00 C ATOM 31 O LEU A 48 11.661 2.204 -1.789 1.00 0.00 O ATOM 32 CB LEU A 48 12.016 -0.532 -2.842 1.00 0.00 C ATOM 33 CG LEU A 48 12.188 -1.647 -3.869 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.180 -2.756 -3.620 1.00 0.00 C ATOM 35 CD2 LEU A 48 12.045 -1.096 -5.280 1.00 0.00 C ATOM 0 HA LEU A 48 12.920 1.096 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.092 -0.962 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.011 -0.122 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 48 13.189 -2.065 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.316 -3.544 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.330 -3.167 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.170 -2.354 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.170 -1.904 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.056 -0.654 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.806 -0.335 -5.452 1.00 0.00 H new ATOM 47 N GLN A 49 13.772 1.913 -1.062 1.00 0.00 N ATOM 48 CA GLN A 49 13.659 2.850 0.044 1.00 0.00 C ATOM 49 C GLN A 49 13.298 4.245 -0.456 1.00 0.00 C ATOM 50 O GLN A 49 12.552 4.969 0.201 1.00 0.00 O ATOM 51 CB GLN A 49 14.966 2.892 0.832 1.00 0.00 C ATOM 52 CG GLN A 49 14.865 3.663 2.138 1.00 0.00 C ATOM 53 CD GLN A 49 16.119 3.545 2.978 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.221 3.400 2.451 1.00 0.00 O ATOM 55 NE2 GLN A 49 15.958 3.600 4.290 1.00 0.00 N ATOM 0 H GLN A 49 14.691 1.480 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 49 12.859 2.508 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.284 1.872 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.740 3.344 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.674 4.714 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.013 3.295 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.025 3.721 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.767 3.521 4.907 1.00 0.00 H new ATOM 64 N ASP A 50 13.805 4.616 -1.626 1.00 0.00 N ATOM 65 CA ASP A 50 13.507 5.928 -2.188 1.00 0.00 C ATOM 66 C ASP A 50 12.038 6.002 -2.610 1.00 0.00 C ATOM 67 O ASP A 50 11.392 7.040 -2.462 1.00 0.00 O ATOM 68 CB ASP A 50 14.432 6.259 -3.366 1.00 0.00 C ATOM 69 CG ASP A 50 14.055 5.554 -4.654 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.390 4.358 -4.799 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.411 6.181 -5.516 1.00 0.00 O ATOM 0 H ASP A 50 14.417 4.035 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 50 13.686 6.675 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.420 7.336 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.454 5.990 -3.101 1.00 0.00 H new ATOM 76 N MET A 51 11.500 4.885 -3.095 1.00 0.00 N ATOM 77 CA MET A 51 10.083 4.804 -3.422 1.00 0.00 C ATOM 78 C MET A 51 9.263 4.863 -2.141 1.00 0.00 C ATOM 79 O MET A 51 8.195 5.464 -2.100 1.00 0.00 O ATOM 80 CB MET A 51 9.778 3.513 -4.186 1.00 0.00 C ATOM 81 CG MET A 51 8.306 3.320 -4.520 1.00 0.00 C ATOM 82 SD MET A 51 7.666 4.582 -5.642 1.00 0.00 S ATOM 83 CE MET A 51 8.709 4.319 -7.075 1.00 0.00 C ATOM 0 H MET A 51 12.024 4.027 -3.269 1.00 0.00 H new ATOM 0 HA MET A 51 9.819 5.647 -4.060 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.353 3.507 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.119 2.664 -3.594 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.167 2.337 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.725 3.333 -3.598 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.224 4.733 -7.959 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.668 4.813 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.870 3.250 -7.217 1.00 0.00 H new ATOM 93 N ILE A 52 9.798 4.258 -1.080 1.00 0.00 N ATOM 94 CA ILE A 52 9.163 4.309 0.232 1.00 0.00 C ATOM 95 C ILE A 52 9.062 5.760 0.684 1.00 0.00 C ATOM 96 O ILE A 52 8.060 6.182 1.252 1.00 0.00 O ATOM 97 CB ILE A 52 9.961 3.506 1.291 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.003 2.020 0.928 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.364 3.698 2.677 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.789 1.171 1.905 1.00 0.00 C ATOM 0 H ILE A 52 10.669 3.728 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 52 8.173 3.861 0.142 1.00 0.00 H new ATOM 0 HB ILE A 52 10.983 3.886 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.983 1.641 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.439 1.911 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.940 3.125 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.393 4.755 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.331 3.352 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.772 0.131 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.820 1.522 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.341 1.248 2.896 1.00 0.00 H new ATOM 112 N ASN A 53 10.098 6.523 0.368 1.00 0.00 N ATOM 113 CA ASN A 53 10.185 7.917 0.777 1.00 0.00 C ATOM 114 C ASN A 53 9.268 8.800 -0.050 1.00 0.00 C ATOM 115 O ASN A 53 8.841 9.858 0.408 1.00 0.00 O ATOM 116 CB ASN A 53 11.621 8.424 0.664 1.00 0.00 C ATOM 117 CG ASN A 53 12.441 8.135 1.904 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.527 8.964 2.809 1.00 0.00 O ATOM 119 ND2 ASN A 53 13.034 6.956 1.964 1.00 0.00 N ATOM 0 H ASN A 53 10.897 6.196 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 53 9.865 7.968 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.099 7.961 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.610 9.499 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.588 6.705 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.938 6.297 1.192 1.00 0.00 H new ATOM 126 N GLU A 54 8.967 8.374 -1.270 1.00 0.00 N ATOM 127 CA GLU A 54 8.086 9.146 -2.134 1.00 0.00 C ATOM 128 C GLU A 54 6.624 8.789 -1.869 1.00 0.00 C ATOM 129 O GLU A 54 5.725 9.596 -2.102 1.00 0.00 O ATOM 130 CB GLU A 54 8.434 8.919 -3.606 1.00 0.00 C ATOM 131 CG GLU A 54 7.710 9.865 -4.552 1.00 0.00 C ATOM 132 CD GLU A 54 8.130 9.689 -5.994 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.145 10.292 -6.397 1.00 0.00 O ATOM 134 OE2 GLU A 54 7.443 8.953 -6.733 1.00 0.00 O ATOM 0 H GLU A 54 9.316 7.507 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 54 8.230 10.203 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.509 9.037 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.190 7.891 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.635 9.702 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.901 10.894 -4.246 1.00 0.00 H new ATOM 141 N VAL A 55 6.388 7.580 -1.374 1.00 0.00 N ATOM 142 CA VAL A 55 5.029 7.148 -1.064 1.00 0.00 C ATOM 143 C VAL A 55 4.644 7.589 0.349 1.00 0.00 C ATOM 144 O VAL A 55 3.484 7.895 0.628 1.00 0.00 O ATOM 145 CB VAL A 55 4.883 5.611 -1.198 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.501 5.147 -0.776 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.167 5.168 -2.625 1.00 0.00 C ATOM 0 H VAL A 55 7.111 6.887 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 55 4.356 7.616 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 55 5.614 5.153 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.432 4.064 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.327 5.421 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.749 5.622 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.059 4.086 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.462 5.650 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.184 5.451 -2.898 1.00 0.00 H new ATOM 157 N ASP A 56 5.642 7.637 1.221 1.00 0.00 N ATOM 158 CA ASP A 56 5.475 8.141 2.580 1.00 0.00 C ATOM 159 C ASP A 56 4.905 9.556 2.578 1.00 0.00 C ATOM 160 O ASP A 56 5.543 10.497 2.107 1.00 0.00 O ATOM 161 CB ASP A 56 6.816 8.114 3.305 1.00 0.00 C ATOM 162 CG ASP A 56 6.710 8.625 4.715 1.00 0.00 C ATOM 163 OD1 ASP A 56 5.855 8.113 5.473 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.473 9.547 5.068 1.00 0.00 O ATOM 0 H ASP A 56 6.590 7.328 1.008 1.00 0.00 H new ATOM 0 HA ASP A 56 4.767 7.497 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.199 7.094 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.537 8.719 2.755 1.00 0.00 H new ATOM 169 N ALA A 57 3.694 9.689 3.100 1.00 0.00 N ATOM 170 CA ALA A 57 2.991 10.964 3.090 1.00 0.00 C ATOM 171 C ALA A 57 3.148 11.701 4.416 1.00 0.00 C ATOM 172 O ALA A 57 3.296 12.923 4.444 1.00 0.00 O ATOM 173 CB ALA A 57 1.516 10.753 2.775 1.00 0.00 C ATOM 0 H ALA A 57 3.176 8.927 3.537 1.00 0.00 H new ATOM 0 HA ALA A 57 3.437 11.582 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.004 11.715 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.416 10.285 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.071 10.108 3.532 1.00 0.00 H new ATOM 179 N ASP A 58 3.125 10.953 5.510 1.00 0.00 N ATOM 180 CA ASP A 58 3.115 11.550 6.849 1.00 0.00 C ATOM 181 C ASP A 58 4.376 11.198 7.639 1.00 0.00 C ATOM 182 O ASP A 58 4.631 11.779 8.694 1.00 0.00 O ATOM 183 CB ASP A 58 1.868 11.109 7.628 1.00 0.00 C ATOM 184 CG ASP A 58 1.709 9.607 7.653 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.697 8.868 7.546 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.593 9.112 7.848 1.00 0.00 O ATOM 0 H ASP A 58 3.113 9.933 5.503 1.00 0.00 H new ATOM 0 HA ASP A 58 3.093 12.632 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.930 11.483 8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.983 11.558 7.177 1.00 0.00 H new ATOM 191 N GLY A 59 5.160 10.254 7.136 1.00 0.00 N ATOM 192 CA GLY A 59 6.415 9.922 7.782 1.00 0.00 C ATOM 193 C GLY A 59 6.392 8.655 8.613 1.00 0.00 C ATOM 194 O GLY A 59 7.357 8.376 9.329 1.00 0.00 O ATOM 0 H GLY A 59 4.951 9.714 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.185 9.823 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.708 10.754 8.423 1.00 0.00 H new ATOM 198 N ASN A 60 5.319 7.872 8.541 1.00 0.00 N ATOM 199 CA ASN A 60 5.320 6.566 9.196 1.00 0.00 C ATOM 200 C ASN A 60 6.057 5.528 8.345 1.00 0.00 C ATOM 201 O ASN A 60 6.254 4.390 8.772 1.00 0.00 O ATOM 202 CB ASN A 60 3.895 6.090 9.550 1.00 0.00 C ATOM 203 CG ASN A 60 2.980 5.851 8.357 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.120 6.464 7.305 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.995 4.983 8.530 1.00 0.00 N ATOM 0 H ASN A 60 4.458 8.110 8.049 1.00 0.00 H new ATOM 0 HA ASN A 60 5.858 6.678 10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.969 5.165 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.432 6.832 10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.329 4.811 7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.902 4.487 9.416 1.00 0.00 H new ATOM 212 N GLY A 61 6.458 5.925 7.136 1.00 0.00 N ATOM 213 CA GLY A 61 7.311 5.078 6.311 1.00 0.00 C ATOM 214 C GLY A 61 6.541 3.989 5.596 1.00 0.00 C ATOM 215 O GLY A 61 7.113 3.187 4.863 1.00 0.00 O ATOM 0 H GLY A 61 6.207 6.819 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.826 5.696 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.078 4.623 6.937 1.00 0.00 H new ATOM 219 N THR A 62 5.246 3.961 5.825 1.00 0.00 N ATOM 220 CA THR A 62 4.374 2.972 5.225 1.00 0.00 C ATOM 221 C THR A 62 3.043 3.618 4.895 1.00 0.00 C ATOM 222 O THR A 62 2.666 4.623 5.495 1.00 0.00 O ATOM 223 CB THR A 62 4.154 1.773 6.181 1.00 0.00 C ATOM 224 OG1 THR A 62 3.343 0.765 5.556 1.00 0.00 O ATOM 225 CG2 THR A 62 3.498 2.229 7.476 1.00 0.00 C ATOM 0 H THR A 62 4.766 4.624 6.434 1.00 0.00 H new ATOM 0 HA THR A 62 4.842 2.597 4.315 1.00 0.00 H new ATOM 0 HB THR A 62 5.131 1.347 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.692 -0.122 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.353 1.371 8.132 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.138 2.960 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.532 2.683 7.254 1.00 0.00 H new ATOM 233 N ILE A 63 2.338 3.067 3.934 1.00 0.00 N ATOM 234 CA ILE A 63 1.024 3.564 3.609 1.00 0.00 C ATOM 235 C ILE A 63 0.026 3.061 4.646 1.00 0.00 C ATOM 236 O ILE A 63 0.118 1.920 5.103 1.00 0.00 O ATOM 237 CB ILE A 63 0.604 3.148 2.177 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.455 4.384 1.291 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.680 2.327 2.177 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.139 4.057 -0.153 1.00 0.00 C ATOM 0 H ILE A 63 2.651 2.279 3.367 1.00 0.00 H new ATOM 0 HA ILE A 63 1.041 4.654 3.631 1.00 0.00 H new ATOM 0 HB ILE A 63 1.392 2.513 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.336 5.017 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.378 4.963 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.939 2.056 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.533 1.422 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.488 2.915 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.047 4.981 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.941 3.450 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.799 3.504 -0.204 1.00 0.00 H new ATOM 252 N ASP A 64 -0.902 3.925 5.022 1.00 0.00 N ATOM 253 CA ASP A 64 -1.954 3.584 5.962 1.00 0.00 C ATOM 254 C ASP A 64 -3.239 3.572 5.159 1.00 0.00 C ATOM 255 O ASP A 64 -3.204 3.920 3.977 1.00 0.00 O ATOM 256 CB ASP A 64 -2.033 4.625 7.089 1.00 0.00 C ATOM 257 CG ASP A 64 -2.704 4.120 8.357 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.766 3.462 8.274 1.00 0.00 O ATOM 259 OD2 ASP A 64 -2.176 4.404 9.452 1.00 0.00 O ATOM 0 H ASP A 64 -0.946 4.886 4.682 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.768 2.620 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.024 4.958 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.577 5.497 6.726 1.00 0.00 H new ATOM 264 N PHE A 65 -4.353 3.197 5.756 1.00 0.00 N ATOM 265 CA PHE A 65 -5.620 3.197 5.035 1.00 0.00 C ATOM 266 C PHE A 65 -5.925 4.572 4.426 1.00 0.00 C ATOM 267 O PHE A 65 -6.206 4.663 3.228 1.00 0.00 O ATOM 268 CB PHE A 65 -6.768 2.728 5.931 1.00 0.00 C ATOM 269 CG PHE A 65 -6.704 1.263 6.254 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.985 0.820 7.350 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.364 0.332 5.468 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.925 -0.522 7.660 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.308 -1.014 5.773 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.584 -1.450 6.831 1.00 0.00 C ATOM 0 H PHE A 65 -4.412 2.891 6.727 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.524 2.488 4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.753 3.299 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.716 2.944 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.464 1.534 7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.928 0.662 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.379 -0.858 8.529 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.846 -1.724 5.163 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.512 -2.507 7.039 1.00 0.00 H new ATOM 284 N PRO A 66 -5.863 5.669 5.220 1.00 0.00 N ATOM 285 CA PRO A 66 -6.059 7.022 4.695 1.00 0.00 C ATOM 286 C PRO A 66 -5.067 7.359 3.586 1.00 0.00 C ATOM 287 O PRO A 66 -5.448 7.907 2.552 1.00 0.00 O ATOM 288 CB PRO A 66 -5.824 7.926 5.910 1.00 0.00 C ATOM 289 CG PRO A 66 -6.078 7.056 7.088 1.00 0.00 C ATOM 290 CD PRO A 66 -5.633 5.685 6.681 1.00 0.00 C ATOM 0 HA PRO A 66 -7.046 7.141 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.807 8.318 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.496 8.784 5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.524 7.405 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.134 7.061 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.584 5.514 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.208 4.909 7.187 1.00 0.00 H new ATOM 298 N GLU A 67 -3.799 7.009 3.794 1.00 0.00 N ATOM 299 CA GLU A 67 -2.755 7.337 2.831 1.00 0.00 C ATOM 300 C GLU A 67 -2.955 6.586 1.518 1.00 0.00 C ATOM 301 O GLU A 67 -2.921 7.192 0.453 1.00 0.00 O ATOM 302 CB GLU A 67 -1.377 7.041 3.422 1.00 0.00 C ATOM 303 CG GLU A 67 -1.070 7.891 4.645 1.00 0.00 C ATOM 304 CD GLU A 67 0.222 7.513 5.336 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.219 6.621 6.197 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.263 8.149 5.108 1.00 0.00 O ATOM 0 H GLU A 67 -3.473 6.501 4.616 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.819 8.403 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.321 5.987 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.615 7.215 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.020 8.938 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.892 7.801 5.355 1.00 0.00 H new ATOM 313 N PHE A 68 -3.187 5.278 1.598 1.00 0.00 N ATOM 314 CA PHE A 68 -3.399 4.470 0.398 1.00 0.00 C ATOM 315 C PHE A 68 -4.554 5.030 -0.416 1.00 0.00 C ATOM 316 O PHE A 68 -4.449 5.194 -1.630 1.00 0.00 O ATOM 317 CB PHE A 68 -3.689 3.007 0.754 1.00 0.00 C ATOM 318 CG PHE A 68 -3.732 2.093 -0.442 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.563 1.661 -1.044 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.945 1.670 -0.962 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.602 0.822 -2.143 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.992 0.831 -2.061 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.807 0.402 -2.650 1.00 0.00 C ATOM 0 H PHE A 68 -3.233 4.757 2.474 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.483 4.508 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.925 2.652 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.643 2.951 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.610 1.983 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.866 2.000 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.681 0.496 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.943 0.511 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.835 -0.259 -3.503 1.00 0.00 H new ATOM 333 N LEU A 69 -5.643 5.344 0.270 1.00 0.00 N ATOM 334 CA LEU A 69 -6.825 5.874 -0.382 1.00 0.00 C ATOM 335 C LEU A 69 -6.577 7.250 -0.972 1.00 0.00 C ATOM 336 O LEU A 69 -7.053 7.557 -2.063 1.00 0.00 O ATOM 337 CB LEU A 69 -8.001 5.923 0.593 1.00 0.00 C ATOM 338 CG LEU A 69 -8.815 4.638 0.654 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.009 4.797 1.582 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.260 4.265 -0.748 1.00 0.00 C ATOM 0 H LEU A 69 -5.730 5.239 1.281 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.071 5.200 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.623 6.148 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.660 6.744 0.309 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.195 3.837 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.575 3.866 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.660 5.039 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.649 5.600 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.844 3.345 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.872 5.067 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.385 4.114 -1.380 1.00 0.00 H new ATOM 352 N THR A 70 -5.821 8.072 -0.262 1.00 0.00 N ATOM 353 CA THR A 70 -5.580 9.428 -0.711 1.00 0.00 C ATOM 354 C THR A 70 -4.590 9.456 -1.875 1.00 0.00 C ATOM 355 O THR A 70 -4.811 10.147 -2.860 1.00 0.00 O ATOM 356 CB THR A 70 -5.066 10.325 0.436 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.978 10.271 1.542 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.916 11.766 -0.023 1.00 0.00 C ATOM 0 H THR A 70 -5.369 7.825 0.618 1.00 0.00 H new ATOM 0 HA THR A 70 -6.536 9.824 -1.053 1.00 0.00 H new ATOM 0 HB THR A 70 -4.088 9.954 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.729 9.532 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.553 12.375 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.205 11.813 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.883 12.145 -0.355 1.00 0.00 H new ATOM 366 N MET A 71 -3.498 8.714 -1.747 1.00 0.00 N ATOM 367 CA MET A 71 -2.519 8.587 -2.825 1.00 0.00 C ATOM 368 C MET A 71 -3.149 7.955 -4.061 1.00 0.00 C ATOM 369 O MET A 71 -2.757 8.247 -5.189 1.00 0.00 O ATOM 370 CB MET A 71 -1.317 7.754 -2.367 1.00 0.00 C ATOM 371 CG MET A 71 -0.230 8.543 -1.637 1.00 0.00 C ATOM 372 SD MET A 71 -0.827 9.466 -0.201 1.00 0.00 S ATOM 373 CE MET A 71 -1.181 11.063 -0.937 1.00 0.00 C ATOM 0 H MET A 71 -3.265 8.188 -0.905 1.00 0.00 H new ATOM 0 HA MET A 71 -2.176 9.589 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.672 6.960 -1.711 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.873 7.273 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.550 7.853 -1.314 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.231 9.240 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.194 11.827 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.411 11.304 -1.670 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.153 11.029 -1.429 1.00 0.00 H new ATOM 383 N MET A 72 -4.122 7.082 -3.840 1.00 0.00 N ATOM 384 CA MET A 72 -4.849 6.475 -4.944 1.00 0.00 C ATOM 385 C MET A 72 -5.746 7.515 -5.610 1.00 0.00 C ATOM 386 O MET A 72 -5.474 7.947 -6.736 1.00 0.00 O ATOM 387 CB MET A 72 -5.686 5.292 -4.447 1.00 0.00 C ATOM 388 CG MET A 72 -6.249 4.422 -5.559 1.00 0.00 C ATOM 389 SD MET A 72 -7.228 3.044 -4.924 1.00 0.00 S ATOM 390 CE MET A 72 -7.481 2.090 -6.417 1.00 0.00 C ATOM 0 H MET A 72 -4.424 6.781 -2.914 1.00 0.00 H new ATOM 0 HA MET A 72 -4.131 6.105 -5.676 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.071 4.674 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.511 5.672 -3.844 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.869 5.032 -6.216 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.429 4.034 -6.164 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.072 1.203 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.010 2.697 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.516 1.787 -6.823 1.00 0.00 H new ATOM 400 N ALA A 73 -6.789 7.938 -4.887 1.00 0.00 N ATOM 401 CA ALA A 73 -7.724 8.970 -5.347 1.00 0.00 C ATOM 402 C ALA A 73 -7.037 10.269 -5.739 1.00 0.00 C ATOM 403 O ALA A 73 -7.669 11.143 -6.336 1.00 0.00 O ATOM 404 CB ALA A 73 -8.761 9.244 -4.268 1.00 0.00 C ATOM 0 H ALA A 73 -7.009 7.572 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.203 8.582 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.453 10.011 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.312 8.329 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.262 9.588 -3.362 1.00 0.00 H new ATOM 410 N ARG A 74 -5.767 10.403 -5.355 1.00 0.00 N ATOM 411 CA ARG A 74 -4.956 11.572 -5.686 1.00 0.00 C ATOM 412 C ARG A 74 -5.237 12.043 -7.110 1.00 0.00 C ATOM 413 O ARG A 74 -5.504 13.221 -7.342 1.00 0.00 O ATOM 414 CB ARG A 74 -3.469 11.235 -5.542 1.00 0.00 C ATOM 415 CG ARG A 74 -2.546 12.440 -5.601 1.00 0.00 C ATOM 416 CD ARG A 74 -2.698 13.319 -4.372 1.00 0.00 C ATOM 417 NE ARG A 74 -1.739 14.421 -4.373 1.00 0.00 N ATOM 418 CZ ARG A 74 -1.402 15.124 -3.288 1.00 0.00 C ATOM 419 NH1 ARG A 74 -1.951 14.849 -2.109 1.00 0.00 N ATOM 420 NH2 ARG A 74 -0.510 16.100 -3.387 1.00 0.00 N ATOM 0 H ARG A 74 -5.272 9.701 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.217 12.374 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.315 10.721 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.188 10.538 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.512 12.104 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.764 13.023 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.711 13.719 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.559 12.716 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.298 14.670 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.635 14.097 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.688 15.390 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.084 16.312 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.250 16.639 -2.561 1.00 0.00 H new ATOM 544 N GLU A 82 -13.867 0.057 2.609 1.00 0.00 N ATOM 545 CA GLU A 82 -12.785 -0.207 3.532 1.00 0.00 C ATOM 546 C GLU A 82 -12.485 -1.693 3.623 1.00 0.00 C ATOM 547 O GLU A 82 -11.338 -2.071 3.819 1.00 0.00 O ATOM 548 CB GLU A 82 -13.099 0.356 4.908 1.00 0.00 C ATOM 549 CG GLU A 82 -11.879 0.407 5.815 1.00 0.00 C ATOM 550 CD GLU A 82 -12.169 1.028 7.161 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.221 2.268 7.243 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.364 0.273 8.137 1.00 0.00 O ATOM 0 HA GLU A 82 -11.896 0.293 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.508 1.360 4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.871 -0.254 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.500 -0.604 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.090 0.975 5.322 1.00 0.00 H new ATOM 559 N GLU A 83 -13.509 -2.535 3.496 1.00 0.00 N ATOM 560 CA GLU A 83 -13.312 -3.977 3.433 1.00 0.00 C ATOM 561 C GLU A 83 -12.357 -4.349 2.305 1.00 0.00 C ATOM 562 O GLU A 83 -11.344 -5.008 2.530 1.00 0.00 O ATOM 563 CB GLU A 83 -14.658 -4.667 3.202 1.00 0.00 C ATOM 564 CG GLU A 83 -15.746 -4.220 4.164 1.00 0.00 C ATOM 565 CD GLU A 83 -17.108 -4.760 3.786 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.761 -4.174 2.897 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.532 -5.770 4.378 1.00 0.00 O ATOM 0 H GLU A 83 -14.484 -2.240 3.435 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.879 -4.306 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.986 -4.472 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.524 -5.745 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.494 -4.550 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.783 -3.131 4.185 1.00 0.00 H new ATOM 574 N GLU A 84 -12.675 -3.891 1.099 1.00 0.00 N ATOM 575 CA GLU A 84 -11.888 -4.213 -0.086 1.00 0.00 C ATOM 576 C GLU A 84 -10.501 -3.605 0.013 1.00 0.00 C ATOM 577 O GLU A 84 -9.503 -4.238 -0.334 1.00 0.00 O ATOM 578 CB GLU A 84 -12.593 -3.697 -1.343 1.00 0.00 C ATOM 579 CG GLU A 84 -13.884 -4.430 -1.663 1.00 0.00 C ATOM 580 CD GLU A 84 -13.644 -5.868 -2.069 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.368 -6.116 -3.259 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.727 -6.755 -1.193 1.00 0.00 O ATOM 0 H GLU A 84 -13.479 -3.291 0.916 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.791 -5.297 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.809 -2.636 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.915 -3.786 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.538 -4.405 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.404 -3.910 -2.467 1.00 0.00 H new ATOM 589 N ILE A 85 -10.446 -2.375 0.506 1.00 0.00 N ATOM 590 CA ILE A 85 -9.185 -1.682 0.665 1.00 0.00 C ATOM 591 C ILE A 85 -8.323 -2.408 1.704 1.00 0.00 C ATOM 592 O ILE A 85 -7.120 -2.570 1.524 1.00 0.00 O ATOM 593 CB ILE A 85 -9.391 -0.200 1.069 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.365 0.487 0.107 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.066 0.553 1.075 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.903 0.478 -1.336 1.00 0.00 C ATOM 0 H ILE A 85 -11.263 -1.841 0.801 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.672 -1.687 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.808 -0.184 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.335 -0.006 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.510 1.519 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.238 1.590 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.386 0.087 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.624 0.520 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.643 0.982 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.948 0.997 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.785 -0.552 -1.674 1.00 0.00 H new ATOM 608 N ARG A 86 -8.971 -2.889 2.767 1.00 0.00 N ATOM 609 CA ARG A 86 -8.300 -3.639 3.827 1.00 0.00 C ATOM 610 C ARG A 86 -7.802 -4.983 3.302 1.00 0.00 C ATOM 611 O ARG A 86 -6.701 -5.433 3.643 1.00 0.00 O ATOM 612 CB ARG A 86 -9.266 -3.858 4.996 1.00 0.00 C ATOM 613 CG ARG A 86 -8.612 -4.430 6.241 1.00 0.00 C ATOM 614 CD ARG A 86 -9.621 -4.629 7.363 1.00 0.00 C ATOM 615 NE ARG A 86 -10.285 -3.381 7.753 1.00 0.00 N ATOM 616 CZ ARG A 86 -10.847 -3.183 8.948 1.00 0.00 C ATOM 617 NH1 ARG A 86 -10.788 -4.130 9.881 1.00 0.00 N ATOM 618 NH2 ARG A 86 -11.460 -2.037 9.221 1.00 0.00 N ATOM 0 H ARG A 86 -9.973 -2.769 2.916 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.440 -3.064 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.735 -2.907 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.062 -4.530 4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.142 -5.384 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.820 -3.760 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.372 -5.352 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.115 -5.053 8.230 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.320 -2.621 7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.312 -5.011 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.218 -3.975 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.504 -1.301 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.887 -1.892 10.136 1.00 0.00 H new ATOM 632 N GLU A 87 -8.615 -5.619 2.462 1.00 0.00 N ATOM 633 CA GLU A 87 -8.222 -6.859 1.812 1.00 0.00 C ATOM 634 C GLU A 87 -6.964 -6.631 0.989 1.00 0.00 C ATOM 635 O GLU A 87 -6.050 -7.454 0.987 1.00 0.00 O ATOM 636 CB GLU A 87 -9.345 -7.384 0.914 1.00 0.00 C ATOM 637 CG GLU A 87 -10.564 -7.878 1.678 1.00 0.00 C ATOM 638 CD GLU A 87 -10.254 -9.068 2.558 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.094 -10.186 2.026 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.167 -8.894 3.790 1.00 0.00 O ATOM 0 H GLU A 87 -9.550 -5.293 2.218 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.022 -7.605 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.652 -6.591 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.957 -8.198 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.956 -7.068 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.347 -8.148 0.970 1.00 0.00 H new ATOM 647 N ALA A 88 -6.916 -5.491 0.311 1.00 0.00 N ATOM 648 CA ALA A 88 -5.747 -5.115 -0.464 1.00 0.00 C ATOM 649 C ALA A 88 -4.517 -5.003 0.429 1.00 0.00 C ATOM 650 O ALA A 88 -3.454 -5.497 0.081 1.00 0.00 O ATOM 651 CB ALA A 88 -5.993 -3.807 -1.203 1.00 0.00 C ATOM 0 H ALA A 88 -7.676 -4.812 0.284 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.562 -5.897 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.106 -3.542 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.841 -3.924 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.208 -3.017 -0.483 1.00 0.00 H new ATOM 657 N PHE A 89 -4.678 -4.385 1.591 1.00 0.00 N ATOM 658 CA PHE A 89 -3.571 -4.207 2.532 1.00 0.00 C ATOM 659 C PHE A 89 -2.917 -5.533 2.905 1.00 0.00 C ATOM 660 O PHE A 89 -1.690 -5.641 2.921 1.00 0.00 O ATOM 661 CB PHE A 89 -4.043 -3.482 3.795 1.00 0.00 C ATOM 662 CG PHE A 89 -4.003 -1.987 3.674 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.934 -1.309 2.908 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.020 -1.258 4.321 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.887 0.064 2.788 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.968 0.115 4.207 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.902 0.776 3.439 1.00 0.00 C ATOM 0 H PHE A 89 -5.566 -3.996 1.909 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.821 -3.597 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.062 -3.793 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.420 -3.788 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.708 -1.862 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.285 -1.771 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.620 0.580 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.197 0.671 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.862 1.851 3.347 1.00 0.00 H new ATOM 677 N ARG A 90 -3.724 -6.546 3.195 1.00 0.00 N ATOM 678 CA ARG A 90 -3.169 -7.840 3.579 1.00 0.00 C ATOM 679 C ARG A 90 -2.631 -8.597 2.362 1.00 0.00 C ATOM 680 O ARG A 90 -1.762 -9.456 2.492 1.00 0.00 O ATOM 681 CB ARG A 90 -4.202 -8.688 4.328 1.00 0.00 C ATOM 682 CG ARG A 90 -5.374 -9.153 3.483 1.00 0.00 C ATOM 683 CD ARG A 90 -6.226 -10.154 4.242 1.00 0.00 C ATOM 684 NE ARG A 90 -7.336 -10.652 3.438 1.00 0.00 N ATOM 685 CZ ARG A 90 -7.408 -11.892 2.954 1.00 0.00 C ATOM 686 NH1 ARG A 90 -6.400 -12.740 3.125 1.00 0.00 N ATOM 687 NH2 ARG A 90 -8.483 -12.271 2.280 1.00 0.00 N ATOM 0 H ARG A 90 -4.743 -6.501 3.173 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.335 -7.649 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.701 -9.563 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.585 -8.110 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.983 -8.296 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.006 -9.606 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.604 -10.991 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.615 -9.686 5.146 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.104 -10.013 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.564 -12.444 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.462 -13.687 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.250 -11.615 2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.544 -13.219 1.907 1.00 0.00 H new ATOM 701 N VAL A 91 -3.154 -8.276 1.184 1.00 0.00 N ATOM 702 CA VAL A 91 -2.684 -8.880 -0.060 1.00 0.00 C ATOM 703 C VAL A 91 -1.368 -8.254 -0.526 1.00 0.00 C ATOM 704 O VAL A 91 -0.407 -8.962 -0.836 1.00 0.00 O ATOM 705 CB VAL A 91 -3.744 -8.744 -1.180 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.144 -9.026 -2.553 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.921 -9.674 -0.916 1.00 0.00 C ATOM 0 H VAL A 91 -3.907 -7.598 1.063 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.514 -9.937 0.145 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.100 -7.714 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.916 -8.922 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.340 -8.317 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.747 -10.041 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.657 -9.565 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.570 -10.705 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.380 -9.418 0.039 1.00 0.00 H new ATOM 717 N PHE A 92 -1.347 -6.930 -0.569 1.00 0.00 N ATOM 718 CA PHE A 92 -0.197 -6.182 -1.064 1.00 0.00 C ATOM 719 C PHE A 92 1.040 -6.419 -0.207 1.00 0.00 C ATOM 720 O PHE A 92 2.118 -6.715 -0.723 1.00 0.00 O ATOM 721 CB PHE A 92 -0.517 -4.682 -1.125 1.00 0.00 C ATOM 722 CG PHE A 92 -1.304 -4.271 -2.346 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.579 -4.766 -2.552 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.776 -3.397 -3.281 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.313 -4.399 -3.662 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.505 -3.024 -4.394 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.733 -3.503 -4.603 1.00 0.00 C ATOM 0 H PHE A 92 -2.124 -6.344 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 92 0.019 -6.542 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.079 -4.404 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.417 -4.120 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.007 -5.450 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.219 -3.002 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.310 -4.785 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.075 -2.335 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.285 -3.211 -5.484 1.00 0.00 H new ATOM 737 N ASP A 93 0.873 -6.301 1.095 1.00 0.00 N ATOM 738 CA ASP A 93 1.987 -6.421 2.022 1.00 0.00 C ATOM 739 C ASP A 93 2.593 -7.827 1.993 1.00 0.00 C ATOM 740 O ASP A 93 1.899 -8.814 1.751 1.00 0.00 O ATOM 741 CB ASP A 93 1.515 -6.082 3.435 1.00 0.00 C ATOM 742 CG ASP A 93 2.665 -5.914 4.396 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.094 -6.890 5.001 1.00 0.00 O ATOM 744 OD2 ASP A 93 3.195 -4.809 4.552 1.00 0.00 O ATOM 0 H ASP A 93 -0.027 -6.121 1.539 1.00 0.00 H new ATOM 0 HA ASP A 93 2.763 -5.720 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.928 -5.164 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.856 -6.872 3.795 1.00 0.00 H new ATOM 749 N LYS A 94 3.898 -7.901 2.253 1.00 0.00 N ATOM 750 CA LYS A 94 4.619 -9.176 2.282 1.00 0.00 C ATOM 751 C LYS A 94 4.219 -9.979 3.515 1.00 0.00 C ATOM 752 O LYS A 94 4.050 -11.196 3.461 1.00 0.00 O ATOM 753 CB LYS A 94 6.137 -8.953 2.333 1.00 0.00 C ATOM 754 CG LYS A 94 6.736 -8.263 1.118 1.00 0.00 C ATOM 755 CD LYS A 94 8.237 -8.081 1.294 1.00 0.00 C ATOM 756 CE LYS A 94 8.888 -7.383 0.107 1.00 0.00 C ATOM 757 NZ LYS A 94 10.329 -7.119 0.360 1.00 0.00 N ATOM 0 H LYS A 94 4.482 -7.088 2.448 1.00 0.00 H new ATOM 0 HA LYS A 94 4.360 -9.717 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.371 -8.361 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.625 -9.920 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.538 -8.853 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.261 -7.293 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.425 -7.502 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.703 -9.056 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.780 -8.001 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.373 -6.443 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.745 -6.643 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.429 -6.510 1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.823 -8.019 0.526 1.00 0.00 H new ATOM 771 N ASP A 95 4.073 -9.268 4.621 1.00 0.00 N ATOM 772 CA ASP A 95 3.809 -9.868 5.919 1.00 0.00 C ATOM 773 C ASP A 95 2.330 -9.770 6.260 1.00 0.00 C ATOM 774 O ASP A 95 1.899 -10.220 7.324 1.00 0.00 O ATOM 775 CB ASP A 95 4.611 -9.155 7.022 1.00 0.00 C ATOM 776 CG ASP A 95 5.749 -8.293 6.497 1.00 0.00 C ATOM 777 OD1 ASP A 95 5.480 -7.163 6.010 1.00 0.00 O ATOM 778 OD2 ASP A 95 6.913 -8.722 6.589 1.00 0.00 O ATOM 0 H ASP A 95 4.135 -8.250 4.644 1.00 0.00 H new ATOM 0 HA ASP A 95 4.109 -10.914 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.934 -8.530 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.019 -9.903 7.702 1.00 0.00 H new ATOM 783 N GLY A 96 1.554 -9.207 5.332 1.00 0.00 N ATOM 784 CA GLY A 96 0.161 -8.885 5.590 1.00 0.00 C ATOM 785 C GLY A 96 -0.066 -8.124 6.884 1.00 0.00 C ATOM 786 O GLY A 96 -1.107 -8.287 7.517 1.00 0.00 O ATOM 0 H GLY A 96 1.874 -8.966 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.225 -8.293 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.416 -9.809 5.618 1.00 0.00 H new ATOM 790 N ASN A 97 0.885 -7.272 7.287 1.00 0.00 N ATOM 791 CA ASN A 97 0.790 -6.587 8.582 1.00 0.00 C ATOM 792 C ASN A 97 -0.198 -5.415 8.574 1.00 0.00 C ATOM 793 O ASN A 97 -0.135 -4.543 9.443 1.00 0.00 O ATOM 794 CB ASN A 97 2.175 -6.103 9.054 1.00 0.00 C ATOM 795 CG ASN A 97 2.846 -5.129 8.093 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.598 -5.537 7.211 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.595 -3.838 8.260 1.00 0.00 N ATOM 0 H ASN A 97 1.718 -7.043 6.744 1.00 0.00 H new ATOM 0 HA ASN A 97 0.405 -7.326 9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.070 -5.624 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.824 -6.968 9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.031 -3.150 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.966 -3.533 9.002 1.00 0.00 H new ATOM 804 N GLY A 98 -1.115 -5.397 7.615 1.00 0.00 N ATOM 805 CA GLY A 98 -2.163 -4.386 7.613 1.00 0.00 C ATOM 806 C GLY A 98 -1.699 -3.045 7.080 1.00 0.00 C ATOM 807 O GLY A 98 -2.295 -2.015 7.384 1.00 0.00 O ATOM 0 H GLY A 98 -1.155 -6.060 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.999 -4.740 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.536 -4.256 8.629 1.00 0.00 H new ATOM 811 N TYR A 99 -0.637 -3.058 6.287 1.00 0.00 N ATOM 812 CA TYR A 99 -0.070 -1.836 5.735 1.00 0.00 C ATOM 813 C TYR A 99 0.537 -2.125 4.376 1.00 0.00 C ATOM 814 O TYR A 99 0.917 -3.252 4.102 1.00 0.00 O ATOM 815 CB TYR A 99 0.991 -1.241 6.666 1.00 0.00 C ATOM 816 CG TYR A 99 0.418 -0.595 7.900 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.341 0.562 7.805 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.631 -1.141 9.156 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.876 1.156 8.927 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.101 -0.553 10.284 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.651 0.597 10.165 1.00 0.00 C ATOM 822 OH TYR A 99 -1.182 1.186 11.288 1.00 0.00 O ATOM 0 H TYR A 99 -0.147 -3.909 6.010 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.872 -1.105 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.682 -2.029 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.572 -0.501 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.515 1.005 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.221 -2.040 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.468 2.055 8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.274 -0.990 11.256 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.931 0.666 12.080 1.00 0.00 H new ATOM 832 N ILE A 100 0.599 -1.120 3.524 1.00 0.00 N ATOM 833 CA ILE A 100 1.156 -1.290 2.189 1.00 0.00 C ATOM 834 C ILE A 100 2.383 -0.400 2.005 1.00 0.00 C ATOM 835 O ILE A 100 2.270 0.816 1.908 1.00 0.00 O ATOM 836 CB ILE A 100 0.101 -0.967 1.105 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.124 -1.868 1.285 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.681 -1.134 -0.294 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.265 -1.558 0.338 1.00 0.00 C ATOM 0 H ILE A 100 0.272 -0.176 3.729 1.00 0.00 H new ATOM 0 HA ILE A 100 1.455 -2.332 2.080 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.201 0.074 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.822 -2.906 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.482 -1.776 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.083 -0.900 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.527 -0.459 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.015 -2.163 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.093 -2.240 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.597 -0.531 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.927 -1.679 -0.691 1.00 0.00 H new ATOM 851 N SER A 101 3.554 -1.008 1.989 1.00 0.00 N ATOM 852 CA SER A 101 4.786 -0.259 1.800 1.00 0.00 C ATOM 853 C SER A 101 5.312 -0.457 0.377 1.00 0.00 C ATOM 854 O SER A 101 4.770 -1.267 -0.374 1.00 0.00 O ATOM 855 CB SER A 101 5.835 -0.681 2.833 1.00 0.00 C ATOM 856 OG SER A 101 6.977 0.158 2.789 1.00 0.00 O ATOM 0 H SER A 101 3.680 -2.014 2.104 1.00 0.00 H new ATOM 0 HA SER A 101 4.577 0.801 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.397 -0.649 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.134 -1.713 2.649 1.00 0.00 H new ATOM 0 HG SER A 101 7.626 -0.137 3.461 1.00 0.00 H new ATOM 862 N ALA A 102 6.360 0.267 0.017 1.00 0.00 N ATOM 863 CA ALA A 102 6.899 0.206 -1.342 1.00 0.00 C ATOM 864 C ALA A 102 7.441 -1.185 -1.663 1.00 0.00 C ATOM 865 O ALA A 102 7.086 -1.777 -2.681 1.00 0.00 O ATOM 866 CB ALA A 102 7.975 1.253 -1.543 1.00 0.00 C ATOM 0 H ALA A 102 6.856 0.903 0.641 1.00 0.00 H new ATOM 0 HA ALA A 102 6.080 0.415 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.360 1.188 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.553 2.244 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.787 1.081 -0.836 1.00 0.00 H new ATOM 872 N ALA A 103 8.327 -1.687 -0.809 1.00 0.00 N ATOM 873 CA ALA A 103 8.829 -3.053 -0.939 1.00 0.00 C ATOM 874 C ALA A 103 7.690 -4.063 -1.063 1.00 0.00 C ATOM 875 O ALA A 103 7.765 -5.013 -1.851 1.00 0.00 O ATOM 876 CB ALA A 103 9.714 -3.393 0.249 1.00 0.00 C ATOM 0 H ALA A 103 8.713 -1.170 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 103 9.417 -3.111 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.085 -4.413 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.556 -2.702 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.136 -3.308 1.169 1.00 0.00 H new ATOM 882 N GLU A 104 6.634 -3.841 -0.295 1.00 0.00 N ATOM 883 CA GLU A 104 5.462 -4.709 -0.325 1.00 0.00 C ATOM 884 C GLU A 104 4.764 -4.590 -1.662 1.00 0.00 C ATOM 885 O GLU A 104 4.289 -5.581 -2.215 1.00 0.00 O ATOM 886 CB GLU A 104 4.479 -4.318 0.763 1.00 0.00 C ATOM 887 CG GLU A 104 5.143 -3.950 2.085 1.00 0.00 C ATOM 888 CD GLU A 104 5.946 -5.084 2.699 1.00 0.00 C ATOM 889 OE1 GLU A 104 7.119 -5.257 2.317 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.406 -5.799 3.582 1.00 0.00 O ATOM 0 H GLU A 104 6.563 -3.063 0.361 1.00 0.00 H new ATOM 0 HA GLU A 104 5.798 -5.733 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.885 -3.472 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.789 -5.145 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.800 -3.095 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.376 -3.635 2.792 1.00 0.00 H new ATOM 897 N LEU A 105 4.713 -3.364 -2.173 1.00 0.00 N ATOM 898 CA LEU A 105 4.116 -3.102 -3.467 1.00 0.00 C ATOM 899 C LEU A 105 4.730 -4.011 -4.507 1.00 0.00 C ATOM 900 O LEU A 105 4.025 -4.651 -5.255 1.00 0.00 O ATOM 901 CB LEU A 105 4.301 -1.637 -3.868 1.00 0.00 C ATOM 902 CG LEU A 105 3.278 -0.675 -3.269 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.707 0.769 -3.491 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.909 -0.930 -3.886 1.00 0.00 C ATOM 0 H LEU A 105 5.081 -2.536 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 105 3.046 -3.302 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.299 -1.316 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.255 -1.564 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 105 3.218 -0.847 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.965 1.440 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.673 0.939 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.791 0.963 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.182 -0.241 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.961 -0.776 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.603 -1.956 -3.681 1.00 0.00 H new ATOM 916 N ARG A 106 6.044 -4.141 -4.484 1.00 0.00 N ATOM 917 CA ARG A 106 6.710 -4.941 -5.496 1.00 0.00 C ATOM 918 C ARG A 106 6.426 -6.420 -5.277 1.00 0.00 C ATOM 919 O ARG A 106 6.234 -7.150 -6.234 1.00 0.00 O ATOM 920 CB ARG A 106 8.207 -4.659 -5.570 1.00 0.00 C ATOM 921 CG ARG A 106 8.523 -3.458 -6.440 1.00 0.00 C ATOM 922 CD ARG A 106 9.953 -3.483 -6.953 1.00 0.00 C ATOM 923 NE ARG A 106 10.162 -2.482 -7.995 1.00 0.00 N ATOM 924 CZ ARG A 106 11.328 -2.252 -8.599 1.00 0.00 C ATOM 925 NH1 ARG A 106 12.410 -2.957 -8.275 1.00 0.00 N ATOM 926 NH2 ARG A 106 11.404 -1.321 -9.539 1.00 0.00 N ATOM 0 H ARG A 106 6.660 -3.714 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 106 6.299 -4.653 -6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.593 -4.488 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.721 -5.536 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.836 -3.433 -7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.359 -2.544 -5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.641 -3.300 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.183 -4.473 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 106 9.360 -1.920 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.351 -3.681 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.297 -2.773 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.574 -0.786 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.292 -1.139 -10.006 1.00 0.00 H new ATOM 940 N HIS A 107 6.355 -6.837 -4.017 1.00 0.00 N ATOM 941 CA HIS A 107 5.966 -8.208 -3.656 1.00 0.00 C ATOM 942 C HIS A 107 4.689 -8.635 -4.372 1.00 0.00 C ATOM 943 O HIS A 107 4.625 -9.697 -4.986 1.00 0.00 O ATOM 944 CB HIS A 107 5.754 -8.290 -2.129 1.00 0.00 C ATOM 945 CG HIS A 107 4.904 -9.444 -1.645 1.00 0.00 C ATOM 946 ND1 HIS A 107 5.414 -10.681 -1.295 1.00 0.00 N ATOM 947 CD2 HIS A 107 3.567 -9.524 -1.419 1.00 0.00 C ATOM 948 CE1 HIS A 107 4.435 -11.460 -0.882 1.00 0.00 C ATOM 949 NE2 HIS A 107 3.307 -10.784 -0.945 1.00 0.00 N ATOM 0 H HIS A 107 6.563 -6.242 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 107 6.765 -8.882 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.730 -8.355 -1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.295 -7.360 -1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.843 -8.740 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.540 -12.482 -0.548 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.388 -11.140 -0.683 1.00 0.00 H new ATOM 958 N VAL A 108 3.670 -7.818 -4.240 1.00 0.00 N ATOM 959 CA VAL A 108 2.357 -8.152 -4.757 1.00 0.00 C ATOM 960 C VAL A 108 2.190 -7.741 -6.224 1.00 0.00 C ATOM 961 O VAL A 108 1.578 -8.456 -7.019 1.00 0.00 O ATOM 962 CB VAL A 108 1.267 -7.511 -3.884 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.306 -5.996 -3.991 1.00 0.00 C ATOM 964 CG2 VAL A 108 -0.107 -8.052 -4.243 1.00 0.00 C ATOM 0 H VAL A 108 3.723 -6.911 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 108 2.254 -9.236 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 108 1.468 -7.777 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.525 -5.567 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.279 -5.633 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.143 -5.700 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.860 -7.582 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.323 -7.832 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.125 -9.131 -4.088 1.00 0.00 H new ATOM 974 N MET A 109 2.742 -6.586 -6.561 1.00 0.00 N ATOM 975 CA MET A 109 2.487 -5.933 -7.837 1.00 0.00 C ATOM 976 C MET A 109 3.146 -6.665 -9.009 1.00 0.00 C ATOM 977 O MET A 109 2.457 -7.306 -9.805 1.00 0.00 O ATOM 978 CB MET A 109 2.968 -4.483 -7.761 1.00 0.00 C ATOM 979 CG MET A 109 2.151 -3.512 -8.597 1.00 0.00 C ATOM 980 SD MET A 109 2.899 -1.873 -8.688 1.00 0.00 S ATOM 981 CE MET A 109 1.740 -1.037 -9.768 1.00 0.00 C ATOM 0 H MET A 109 3.382 -6.072 -5.955 1.00 0.00 H new ATOM 0 HA MET A 109 1.414 -5.958 -8.024 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.945 -4.158 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.008 -4.439 -8.086 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.038 -3.912 -9.605 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.150 -3.427 -8.174 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.064 -0.008 -9.923 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.700 -1.553 -10.727 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.750 -1.041 -9.312 1.00 0.00 H new ATOM 991 N THR A 110 4.469 -6.594 -9.115 1.00 0.00 N ATOM 992 CA THR A 110 5.163 -7.179 -10.262 1.00 0.00 C ATOM 993 C THR A 110 6.303 -8.114 -9.834 1.00 0.00 C ATOM 994 O THR A 110 6.577 -9.121 -10.489 1.00 0.00 O ATOM 995 CB THR A 110 5.753 -6.071 -11.157 1.00 0.00 C ATOM 996 OG1 THR A 110 4.849 -4.957 -11.235 1.00 0.00 O ATOM 997 CG2 THR A 110 6.032 -6.589 -12.557 1.00 0.00 C ATOM 0 H THR A 110 5.078 -6.144 -8.431 1.00 0.00 H new ATOM 0 HA THR A 110 4.422 -7.759 -10.811 1.00 0.00 H new ATOM 0 HB THR A 110 6.692 -5.748 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.237 -4.260 -11.805 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.447 -5.786 -13.166 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.745 -7.411 -12.505 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.104 -6.942 -13.006 1.00 0.00 H new ATOM 1005 N ASN A 111 6.953 -7.776 -8.733 1.00 0.00 N ATOM 1006 CA ASN A 111 8.183 -8.445 -8.309 1.00 0.00 C ATOM 1007 C ASN A 111 7.886 -9.493 -7.237 1.00 0.00 C ATOM 1008 O ASN A 111 6.731 -9.765 -6.926 1.00 0.00 O ATOM 1009 CB ASN A 111 9.165 -7.388 -7.778 1.00 0.00 C ATOM 1010 CG ASN A 111 10.616 -7.842 -7.776 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.311 -7.724 -8.781 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.092 -8.330 -6.639 1.00 0.00 N ATOM 0 H ASN A 111 6.648 -7.032 -8.105 1.00 0.00 H new ATOM 0 HA ASN A 111 8.628 -8.961 -9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.077 -6.487 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.878 -7.117 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.067 -8.623 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.483 -8.413 -5.825 1.00 0.00 H new