USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 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 1 MET CE :methyl 179:sc= -1.78 (180deg=-1.78) USER MOD Set 1.2: A 15 MET CE :methyl 175:sc= -0.0305 (180deg=-0.0177) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1 (180deg=0.981) USER MOD Single : A 7 ASN : amide:sc= 0.345 K(o=0.35,f=-9.1!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.14) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00212 USER MOD Single : A 16 SER OG : rot -25:sc= 0.329 USER MOD Single : A 17 TYR OH : rot 97:sc= 0.0698 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.67 K(o=1.7,f=0) USER MOD Single : A 37 SER OG : rot -47:sc= 1.23 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.14) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.6!,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 2.4 (180deg=1.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.590 0.760 -3.414 1.00 0.00 N ATOM 2 CA MET A 1 4.970 -0.316 -4.246 1.00 0.00 C ATOM 3 C MET A 1 3.747 0.194 -5.031 1.00 0.00 C ATOM 4 O MET A 1 3.262 1.298 -4.793 1.00 0.00 O ATOM 5 CB MET A 1 4.659 -1.597 -3.438 1.00 0.00 C ATOM 6 CG MET A 1 3.505 -1.481 -2.427 1.00 0.00 C ATOM 7 SD MET A 1 3.419 -2.821 -1.208 1.00 0.00 S ATOM 8 CE MET A 1 3.285 -4.232 -2.326 1.00 0.00 C ATOM 0 H1 MET A 1 6.356 0.356 -2.838 1.00 0.00 H new ATOM 0 H2 MET A 1 5.977 1.499 -4.035 1.00 0.00 H new ATOM 0 H3 MET A 1 4.869 1.175 -2.789 1.00 0.00 H new ATOM 0 HA MET A 1 5.720 -0.604 -4.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.426 -2.399 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.560 -1.894 -2.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.600 -0.533 -1.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.563 -1.447 -2.975 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.239 -5.153 -1.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.380 -4.136 -2.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.155 -4.260 -2.983 1.00 0.00 H new ATOM 20 N GLU A 2 3.239 -0.615 -5.971 1.00 0.00 N ATOM 21 CA GLU A 2 2.404 -0.177 -7.087 1.00 0.00 C ATOM 22 C GLU A 2 1.095 -0.982 -7.030 1.00 0.00 C ATOM 23 O GLU A 2 0.954 -1.993 -7.715 1.00 0.00 O ATOM 24 CB GLU A 2 3.244 -0.371 -8.377 1.00 0.00 C ATOM 25 CG GLU A 2 3.990 0.896 -8.836 1.00 0.00 C ATOM 26 CD GLU A 2 4.982 1.468 -7.798 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.837 0.716 -7.267 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.929 2.692 -7.525 1.00 0.00 O ATOM 0 H GLU A 2 3.405 -1.621 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 2 2.114 0.873 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.970 -1.167 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.586 -0.704 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.534 0.670 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.257 1.665 -9.081 1.00 0.00 H new ATOM 35 N ILE A 3 0.183 -0.605 -6.120 1.00 0.00 N ATOM 36 CA ILE A 3 -1.099 -1.284 -5.873 1.00 0.00 C ATOM 37 C ILE A 3 -2.056 -1.079 -7.067 1.00 0.00 C ATOM 38 O ILE A 3 -2.017 -0.032 -7.717 1.00 0.00 O ATOM 39 CB ILE A 3 -1.736 -0.758 -4.562 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.786 -0.834 -3.347 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.047 -1.487 -4.197 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.303 -2.224 -2.914 1.00 0.00 C ATOM 0 H ILE A 3 0.322 0.206 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.916 -2.353 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.951 0.289 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.092 -0.226 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.289 -0.372 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.446 -1.075 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.774 -1.350 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.847 -2.550 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.356 -2.128 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.161 -2.841 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.240 -2.692 -3.735 1.00 0.00 H new ATOM 54 N GLU A 4 -2.983 -2.021 -7.287 1.00 0.00 N ATOM 55 CA GLU A 4 -4.139 -1.896 -8.156 1.00 0.00 C ATOM 56 C GLU A 4 -5.356 -2.563 -7.497 1.00 0.00 C ATOM 57 O GLU A 4 -5.239 -3.579 -6.805 1.00 0.00 O ATOM 58 CB GLU A 4 -3.818 -2.586 -9.484 1.00 0.00 C ATOM 59 CG GLU A 4 -4.936 -2.437 -10.509 1.00 0.00 C ATOM 60 CD GLU A 4 -5.224 -0.970 -10.883 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.002 -0.311 -10.150 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.688 -0.478 -11.905 1.00 0.00 O ATOM 0 H GLU A 4 -2.935 -2.934 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.371 -0.845 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.898 -2.168 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.635 -3.645 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.670 -2.990 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.845 -2.890 -10.114 1.00 0.00 H new ATOM 69 N ARG A 5 -6.550 -2.049 -7.794 1.00 0.00 N ATOM 70 CA ARG A 5 -7.837 -2.625 -7.412 1.00 0.00 C ATOM 71 C ARG A 5 -8.460 -3.159 -8.701 1.00 0.00 C ATOM 72 O ARG A 5 -8.867 -2.357 -9.544 1.00 0.00 O ATOM 73 CB ARG A 5 -8.685 -1.528 -6.735 1.00 0.00 C ATOM 74 CG ARG A 5 -10.174 -1.867 -6.552 1.00 0.00 C ATOM 75 CD ARG A 5 -10.474 -3.144 -5.761 1.00 0.00 C ATOM 76 NE ARG A 5 -10.106 -3.011 -4.346 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.170 -3.958 -3.410 1.00 0.00 C ATOM 78 NH1 ARG A 5 -10.540 -5.206 -3.672 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.855 -3.636 -2.172 1.00 0.00 N ATOM 0 H ARG A 5 -6.649 -1.186 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.755 -3.440 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.256 -1.312 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.607 -0.615 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.659 -1.029 -6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.631 -1.957 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.536 -3.379 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.930 -3.980 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.765 -2.097 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.791 -5.475 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.574 -5.896 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.571 -2.682 -1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.895 -4.341 -1.436 1.00 0.00 H new ATOM 93 N ILE A 6 -8.512 -4.486 -8.888 1.00 0.00 N ATOM 94 CA ILE A 6 -9.142 -5.050 -10.075 1.00 0.00 C ATOM 95 C ILE A 6 -10.652 -4.893 -9.903 1.00 0.00 C ATOM 96 O ILE A 6 -11.330 -4.297 -10.740 1.00 0.00 O ATOM 97 CB ILE A 6 -8.733 -6.527 -10.225 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.205 -6.703 -10.160 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.324 -7.154 -11.497 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.411 -5.856 -11.157 1.00 0.00 C ATOM 0 H ILE A 6 -8.130 -5.174 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.824 -4.537 -10.982 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.155 -7.065 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.869 -6.460 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.968 -7.753 -10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.013 -8.196 -11.567 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.412 -7.102 -11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.967 -6.609 -12.371 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.346 -6.051 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.711 -6.113 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.610 -4.800 -10.977 1.00 0.00 H new ATOM 112 N ASN A 7 -11.157 -5.425 -8.788 1.00 0.00 N ATOM 113 CA ASN A 7 -12.559 -5.411 -8.382 1.00 0.00 C ATOM 114 C ASN A 7 -12.606 -5.747 -6.886 1.00 0.00 C ATOM 115 O ASN A 7 -11.566 -5.898 -6.248 1.00 0.00 O ATOM 116 CB ASN A 7 -13.387 -6.391 -9.254 1.00 0.00 C ATOM 117 CG ASN A 7 -13.091 -7.876 -9.064 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.418 -8.283 -8.128 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.583 -8.726 -9.947 1.00 0.00 N ATOM 0 H ASN A 7 -10.564 -5.903 -8.109 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.010 -4.431 -8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.444 -6.223 -9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.222 -6.140 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.402 -9.725 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.144 -8.383 -10.727 1.00 0.00 H new ATOM 126 N GLU A 8 -13.783 -5.881 -6.291 1.00 0.00 N ATOM 127 CA GLU A 8 -13.948 -6.147 -4.859 1.00 0.00 C ATOM 128 C GLU A 8 -13.252 -7.440 -4.403 1.00 0.00 C ATOM 129 O GLU A 8 -12.885 -7.577 -3.236 1.00 0.00 O ATOM 130 CB GLU A 8 -15.449 -6.226 -4.533 1.00 0.00 C ATOM 131 CG GLU A 8 -16.204 -4.915 -4.793 1.00 0.00 C ATOM 132 CD GLU A 8 -16.934 -4.901 -6.152 1.00 0.00 C ATOM 133 OE1 GLU A 8 -16.260 -4.916 -7.211 1.00 0.00 O ATOM 134 OE2 GLU A 8 -18.190 -4.862 -6.172 1.00 0.00 O ATOM 0 H GLU A 8 -14.668 -5.808 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.474 -5.327 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.900 -7.020 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.571 -6.504 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.929 -4.755 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.501 -4.083 -4.756 1.00 0.00 H new ATOM 141 N HIS A 9 -13.039 -8.383 -5.318 1.00 0.00 N ATOM 142 CA HIS A 9 -12.589 -9.739 -5.004 1.00 0.00 C ATOM 143 C HIS A 9 -11.101 -9.925 -5.292 1.00 0.00 C ATOM 144 O HIS A 9 -10.455 -10.717 -4.608 1.00 0.00 O ATOM 145 CB HIS A 9 -13.435 -10.770 -5.765 1.00 0.00 C ATOM 146 CG HIS A 9 -14.744 -11.071 -5.071 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.157 -12.286 -4.559 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.713 -10.158 -4.747 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.339 -12.099 -3.948 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.725 -10.813 -4.038 1.00 0.00 N ATOM 0 H HIS A 9 -13.176 -8.224 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.727 -9.898 -3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.637 -10.399 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.865 -11.693 -5.875 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.698 -9.108 -4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.903 -12.875 -3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.580 -10.401 -3.665 1.00 0.00 H new ATOM 158 N THR A 10 -10.539 -9.146 -6.208 1.00 0.00 N ATOM 159 CA THR A 10 -9.174 -9.298 -6.673 1.00 0.00 C ATOM 160 C THR A 10 -8.471 -7.952 -6.558 1.00 0.00 C ATOM 161 O THR A 10 -8.985 -6.905 -6.958 1.00 0.00 O ATOM 162 CB THR A 10 -9.195 -9.851 -8.108 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.913 -11.075 -8.119 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.797 -10.111 -8.680 1.00 0.00 C ATOM 0 H THR A 10 -11.034 -8.375 -6.656 1.00 0.00 H new ATOM 0 HA THR A 10 -8.616 -10.010 -6.065 1.00 0.00 H new ATOM 0 HB THR A 10 -9.669 -9.092 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.933 -11.434 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.885 -10.500 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.232 -9.179 -8.697 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.278 -10.839 -8.056 1.00 0.00 H new ATOM 172 N VAL A 11 -7.237 -8.000 -6.076 1.00 0.00 N ATOM 173 CA VAL A 11 -6.286 -6.900 -6.135 1.00 0.00 C ATOM 174 C VAL A 11 -5.063 -7.457 -6.853 1.00 0.00 C ATOM 175 O VAL A 11 -4.825 -8.666 -6.848 1.00 0.00 O ATOM 176 CB VAL A 11 -5.982 -6.350 -4.721 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.227 -5.678 -4.128 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.486 -7.413 -3.723 1.00 0.00 C ATOM 0 H VAL A 11 -6.859 -8.830 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.675 -6.039 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.173 -5.633 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.996 -5.297 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.536 -4.853 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.035 -6.406 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.296 -6.945 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.245 -8.187 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.565 -7.861 -4.096 1.00 0.00 H new ATOM 188 N LYS A 12 -4.257 -6.598 -7.457 1.00 0.00 N ATOM 189 CA LYS A 12 -2.903 -6.983 -7.816 1.00 0.00 C ATOM 190 C LYS A 12 -1.989 -5.847 -7.425 1.00 0.00 C ATOM 191 O LYS A 12 -2.458 -4.760 -7.100 1.00 0.00 O ATOM 192 CB LYS A 12 -2.810 -7.422 -9.289 1.00 0.00 C ATOM 193 CG LYS A 12 -2.572 -6.326 -10.322 1.00 0.00 C ATOM 194 CD LYS A 12 -2.476 -6.948 -11.728 1.00 0.00 C ATOM 195 CE LYS A 12 -2.200 -5.824 -12.725 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.606 -6.315 -13.998 1.00 0.00 N ATOM 0 H LYS A 12 -4.513 -5.642 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.581 -7.870 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.004 -8.151 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.735 -7.938 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.385 -5.600 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.654 -5.787 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.680 -7.691 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.403 -7.462 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.131 -5.300 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.525 -5.099 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.689 -5.578 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.602 -6.542 -13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.111 -7.169 -14.310 1.00 0.00 H new ATOM 210 N PHE A 13 -0.692 -6.077 -7.457 1.00 0.00 N ATOM 211 CA PHE A 13 0.279 -5.027 -7.263 1.00 0.00 C ATOM 212 C PHE A 13 1.553 -5.431 -7.974 1.00 0.00 C ATOM 213 O PHE A 13 1.787 -6.614 -8.233 1.00 0.00 O ATOM 214 CB PHE A 13 0.508 -4.786 -5.765 1.00 0.00 C ATOM 215 CG PHE A 13 0.968 -5.994 -4.982 1.00 0.00 C ATOM 216 CD1 PHE A 13 0.025 -6.917 -4.500 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.334 -6.175 -4.712 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.447 -7.993 -3.706 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.750 -7.234 -3.890 1.00 0.00 C ATOM 220 CZ PHE A 13 1.799 -8.124 -3.364 1.00 0.00 C ATOM 0 H PHE A 13 -0.285 -6.998 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.078 -4.086 -7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.249 -3.995 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.420 -4.420 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.021 -6.798 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.063 -5.501 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.271 -8.721 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.798 -7.364 -3.663 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.111 -8.911 -2.694 1.00 0.00 H new ATOM 230 N TYR A 14 2.405 -4.453 -8.236 1.00 0.00 N ATOM 231 CA TYR A 14 3.763 -4.681 -8.650 1.00 0.00 C ATOM 232 C TYR A 14 4.656 -4.239 -7.494 1.00 0.00 C ATOM 233 O TYR A 14 4.336 -3.294 -6.766 1.00 0.00 O ATOM 234 CB TYR A 14 3.996 -3.937 -9.963 1.00 0.00 C ATOM 235 CG TYR A 14 5.450 -3.934 -10.345 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.035 -5.115 -10.829 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.230 -2.798 -10.084 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.412 -5.167 -11.079 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.616 -2.838 -10.334 1.00 0.00 C ATOM 240 CZ TYR A 14 8.211 -4.021 -10.844 1.00 0.00 C ATOM 241 OH TYR A 14 9.550 -4.074 -11.099 1.00 0.00 O ATOM 0 H TYR A 14 2.160 -3.466 -8.163 1.00 0.00 H new ATOM 0 HA TYR A 14 3.994 -5.726 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.412 -4.404 -10.756 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.642 -2.911 -9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.422 -5.985 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.772 -1.901 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.862 -6.076 -11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.226 -1.968 -10.137 1.00 0.00 H new ATOM 0 HH TYR A 14 9.958 -3.208 -10.888 1.00 0.00 H new ATOM 251 N MET A 15 5.755 -4.961 -7.291 1.00 0.00 N ATOM 252 CA MET A 15 6.654 -4.780 -6.172 1.00 0.00 C ATOM 253 C MET A 15 8.069 -4.920 -6.701 1.00 0.00 C ATOM 254 O MET A 15 8.499 -6.013 -7.064 1.00 0.00 O ATOM 255 CB MET A 15 6.356 -5.851 -5.122 1.00 0.00 C ATOM 256 CG MET A 15 7.010 -5.569 -3.791 1.00 0.00 C ATOM 257 SD MET A 15 6.438 -6.702 -2.501 1.00 0.00 S ATOM 258 CE MET A 15 6.507 -5.595 -1.072 1.00 0.00 C ATOM 0 H MET A 15 6.046 -5.707 -7.922 1.00 0.00 H new ATOM 0 HA MET A 15 6.530 -3.802 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.278 -5.925 -4.982 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.697 -6.818 -5.491 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.092 -5.653 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.797 -4.543 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.101 -6.104 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.542 -5.313 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.919 -4.700 -1.276 1.00 0.00 H new ATOM 268 N SER A 16 8.794 -3.813 -6.762 1.00 0.00 N ATOM 269 CA SER A 16 10.209 -3.834 -7.093 1.00 0.00 C ATOM 270 C SER A 16 10.964 -4.495 -5.943 1.00 0.00 C ATOM 271 O SER A 16 10.548 -4.390 -4.785 1.00 0.00 O ATOM 272 CB SER A 16 10.723 -2.411 -7.343 1.00 0.00 C ATOM 273 OG SER A 16 9.812 -1.651 -8.124 1.00 0.00 O ATOM 0 H SER A 16 8.420 -2.881 -6.584 1.00 0.00 H new ATOM 0 HA SER A 16 10.370 -4.404 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.888 -1.911 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.687 -2.456 -7.850 1.00 0.00 H new ATOM 0 HG SER A 16 9.263 -2.255 -8.667 1.00 0.00 H new ATOM 279 N TYR A 17 12.107 -5.114 -6.240 1.00 0.00 N ATOM 280 CA TYR A 17 12.958 -5.743 -5.231 1.00 0.00 C ATOM 281 C TYR A 17 13.305 -4.790 -4.095 1.00 0.00 C ATOM 282 O TYR A 17 13.294 -5.195 -2.937 1.00 0.00 O ATOM 283 CB TYR A 17 14.241 -6.283 -5.873 1.00 0.00 C ATOM 284 CG TYR A 17 14.040 -7.309 -6.969 1.00 0.00 C ATOM 285 CD1 TYR A 17 12.967 -8.223 -6.923 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.958 -7.360 -8.033 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.829 -9.197 -7.923 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.819 -8.330 -9.040 1.00 0.00 C ATOM 289 CZ TYR A 17 13.763 -9.266 -8.983 1.00 0.00 C ATOM 290 OH TYR A 17 13.659 -10.219 -9.954 1.00 0.00 O ATOM 0 H TYR A 17 12.469 -5.193 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 17 12.391 -6.570 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.802 -5.444 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.858 -6.727 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.250 -8.173 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.772 -6.652 -8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.007 -9.896 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.522 -8.360 -9.860 1.00 0.00 H new ATOM 0 HH TYR A 17 13.195 -9.844 -10.732 1.00 0.00 H new ATOM 300 N GLY A 18 13.544 -3.516 -4.397 1.00 0.00 N ATOM 301 CA GLY A 18 13.911 -2.541 -3.384 1.00 0.00 C ATOM 302 C GLY A 18 12.810 -2.295 -2.350 1.00 0.00 C ATOM 303 O GLY A 18 13.124 -1.939 -1.218 1.00 0.00 O ATOM 0 H GLY A 18 13.488 -3.137 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.811 -2.882 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.159 -1.598 -3.871 1.00 0.00 H new ATOM 307 N ASP A 19 11.533 -2.520 -2.686 1.00 0.00 N ATOM 308 CA ASP A 19 10.437 -2.392 -1.716 1.00 0.00 C ATOM 309 C ASP A 19 10.537 -3.511 -0.676 1.00 0.00 C ATOM 310 O ASP A 19 10.333 -3.297 0.516 1.00 0.00 O ATOM 311 CB ASP A 19 9.077 -2.476 -2.432 1.00 0.00 C ATOM 312 CG ASP A 19 7.959 -1.788 -1.639 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.331 -2.443 -0.776 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.650 -0.613 -1.950 1.00 0.00 O ATOM 0 H ASP A 19 11.233 -2.792 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 19 10.517 -1.424 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.158 -2.015 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.816 -3.522 -2.590 1.00 0.00 H new ATOM 319 N ILE A 20 10.902 -4.708 -1.137 1.00 0.00 N ATOM 320 CA ILE A 20 11.061 -5.906 -0.321 1.00 0.00 C ATOM 321 C ILE A 20 12.322 -5.738 0.544 1.00 0.00 C ATOM 322 O ILE A 20 12.289 -6.013 1.746 1.00 0.00 O ATOM 323 CB ILE A 20 11.078 -7.125 -1.282 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.702 -7.269 -1.976 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.409 -8.436 -0.565 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.751 -7.897 -3.373 1.00 0.00 C ATOM 0 H ILE A 20 11.101 -4.873 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 20 10.242 -6.071 0.379 1.00 0.00 H new ATOM 0 HB ILE A 20 11.862 -6.936 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.053 -7.874 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.244 -6.283 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.407 -9.255 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.394 -8.360 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.662 -8.628 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.742 -7.957 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.370 -7.282 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.176 -8.899 -3.307 1.00 0.00 H new ATOM 338 N GLU A 21 13.402 -5.213 -0.043 1.00 0.00 N ATOM 339 CA GLU A 21 14.661 -4.919 0.638 1.00 0.00 C ATOM 340 C GLU A 21 14.467 -3.891 1.753 1.00 0.00 C ATOM 341 O GLU A 21 15.087 -4.001 2.811 1.00 0.00 O ATOM 342 CB GLU A 21 15.660 -4.329 -0.357 1.00 0.00 C ATOM 343 CG GLU A 21 16.138 -5.330 -1.404 1.00 0.00 C ATOM 344 CD GLU A 21 17.456 -6.021 -0.999 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.486 -6.745 0.025 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.478 -5.843 -1.708 1.00 0.00 O ATOM 0 H GLU A 21 13.422 -4.975 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 21 15.027 -5.855 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.200 -3.479 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.522 -3.947 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.368 -6.085 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.277 -4.817 -2.356 1.00 0.00 H new ATOM 353 N ASP A 22 13.631 -2.877 1.511 1.00 0.00 N ATOM 354 CA ASP A 22 13.382 -1.793 2.466 1.00 0.00 C ATOM 355 C ASP A 22 12.749 -2.323 3.745 1.00 0.00 C ATOM 356 O ASP A 22 13.144 -1.966 4.859 1.00 0.00 O ATOM 357 CB ASP A 22 12.430 -0.754 1.880 1.00 0.00 C ATOM 358 CG ASP A 22 12.265 0.424 2.852 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.216 1.232 2.986 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.180 0.560 3.466 1.00 0.00 O ATOM 0 H ASP A 22 13.105 -2.785 0.642 1.00 0.00 H new ATOM 0 HA ASP A 22 14.350 -1.340 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.815 -0.396 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.460 -1.210 1.682 1.00 0.00 H new ATOM 365 N ARG A 23 11.799 -3.238 3.558 1.00 0.00 N ATOM 366 CA ARG A 23 11.145 -3.980 4.629 1.00 0.00 C ATOM 367 C ARG A 23 12.119 -4.956 5.304 1.00 0.00 C ATOM 368 O ARG A 23 11.788 -5.510 6.352 1.00 0.00 O ATOM 369 CB ARG A 23 9.929 -4.716 4.046 1.00 0.00 C ATOM 370 CG ARG A 23 8.877 -3.782 3.438 1.00 0.00 C ATOM 371 CD ARG A 23 7.964 -4.541 2.465 1.00 0.00 C ATOM 372 NE ARG A 23 7.106 -3.606 1.726 1.00 0.00 N ATOM 373 CZ ARG A 23 6.060 -2.912 2.179 1.00 0.00 C ATOM 374 NH1 ARG A 23 5.601 -3.095 3.414 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.505 -2.035 1.356 1.00 0.00 N ATOM 0 H ARG A 23 11.455 -3.489 2.631 1.00 0.00 H new ATOM 0 HA ARG A 23 10.811 -3.287 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.270 -5.412 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.464 -5.310 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.278 -3.337 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.371 -2.963 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.569 -5.119 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.347 -5.252 3.015 1.00 0.00 H new ATOM 0 HE ARG A 23 7.339 -3.470 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.050 -3.774 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.801 -2.557 3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.879 -1.911 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.703 -1.484 1.663 1.00 0.00 H new ATOM 389 N GLY A 24 13.297 -5.180 4.717 1.00 0.00 N ATOM 390 CA GLY A 24 14.307 -6.093 5.218 1.00 0.00 C ATOM 391 C GLY A 24 14.002 -7.560 4.908 1.00 0.00 C ATOM 392 O GLY A 24 14.645 -8.449 5.474 1.00 0.00 O ATOM 0 H GLY A 24 13.575 -4.713 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.272 -5.830 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.397 -5.968 6.297 1.00 0.00 H new ATOM 396 N PHE A 25 13.031 -7.824 4.030 1.00 0.00 N ATOM 397 CA PHE A 25 12.815 -9.140 3.436 1.00 0.00 C ATOM 398 C PHE A 25 13.788 -9.274 2.249 1.00 0.00 C ATOM 399 O PHE A 25 14.604 -8.382 1.997 1.00 0.00 O ATOM 400 CB PHE A 25 11.331 -9.295 3.030 1.00 0.00 C ATOM 401 CG PHE A 25 10.319 -9.247 4.168 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.121 -8.044 4.870 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.536 -10.368 4.520 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.214 -7.957 5.932 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.621 -10.279 5.581 1.00 0.00 C ATOM 406 CZ PHE A 25 8.455 -9.079 6.291 1.00 0.00 C ATOM 0 H PHE A 25 12.366 -7.120 3.710 1.00 0.00 H new ATOM 0 HA PHE A 25 13.018 -9.945 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.085 -8.507 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.215 -10.244 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.682 -7.167 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.641 -11.293 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.099 -7.029 6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.037 -11.145 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.749 -9.021 7.106 1.00 0.00 H new ATOM 416 N ASP A 26 13.701 -10.367 1.485 1.00 0.00 N ATOM 417 CA ASP A 26 14.435 -10.513 0.227 1.00 0.00 C ATOM 418 C ASP A 26 13.491 -11.122 -0.793 1.00 0.00 C ATOM 419 O ASP A 26 12.569 -11.849 -0.429 1.00 0.00 O ATOM 420 CB ASP A 26 15.674 -11.405 0.375 1.00 0.00 C ATOM 421 CG ASP A 26 16.782 -11.030 -0.634 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.461 -10.739 -1.812 1.00 0.00 O ATOM 423 OD2 ASP A 26 17.977 -11.079 -0.260 1.00 0.00 O ATOM 0 H ASP A 26 13.121 -11.172 1.721 1.00 0.00 H new ATOM 0 HA ASP A 26 14.786 -9.531 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.063 -11.319 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.390 -12.447 0.230 1.00 0.00 H new ATOM 428 N ARG A 27 13.720 -10.846 -2.071 1.00 0.00 N ATOM 429 CA ARG A 27 12.867 -11.265 -3.180 1.00 0.00 C ATOM 430 C ARG A 27 12.706 -12.782 -3.278 1.00 0.00 C ATOM 431 O ARG A 27 11.687 -13.240 -3.779 1.00 0.00 O ATOM 432 CB ARG A 27 13.420 -10.642 -4.475 1.00 0.00 C ATOM 433 CG ARG A 27 14.750 -11.284 -4.916 1.00 0.00 C ATOM 434 CD ARG A 27 15.688 -10.292 -5.614 1.00 0.00 C ATOM 435 NE ARG A 27 16.917 -10.950 -6.094 1.00 0.00 N ATOM 436 CZ ARG A 27 18.015 -11.256 -5.385 1.00 0.00 C ATOM 437 NH1 ARG A 27 18.078 -11.090 -4.064 1.00 0.00 N ATOM 438 NH2 ARG A 27 19.075 -11.745 -6.025 1.00 0.00 N ATOM 0 H ARG A 27 14.531 -10.307 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 27 11.855 -10.901 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.684 -10.754 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.568 -9.572 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.254 -11.700 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.541 -12.115 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.170 -9.831 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.950 -9.491 -4.923 1.00 0.00 H new ATOM 0 HE ARG A 27 16.935 -11.203 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.274 -10.719 -3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.930 -11.334 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.043 -11.881 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.919 -11.984 -5.505 1.00 0.00 H new ATOM 452 N GLU A 28 13.694 -13.548 -2.812 1.00 0.00 N ATOM 453 CA GLU A 28 13.607 -14.999 -2.725 1.00 0.00 C ATOM 454 C GLU A 28 13.070 -15.383 -1.345 1.00 0.00 C ATOM 455 O GLU A 28 12.185 -16.227 -1.238 1.00 0.00 O ATOM 456 CB GLU A 28 14.992 -15.611 -2.973 1.00 0.00 C ATOM 457 CG GLU A 28 15.523 -15.329 -4.386 1.00 0.00 C ATOM 458 CD GLU A 28 16.840 -16.080 -4.652 1.00 0.00 C ATOM 459 OE1 GLU A 28 17.923 -15.558 -4.292 1.00 0.00 O ATOM 460 OE2 GLU A 28 16.808 -17.190 -5.243 1.00 0.00 O ATOM 0 H GLU A 28 14.583 -13.171 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 28 12.926 -15.385 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.695 -15.216 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.941 -16.689 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.777 -15.627 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.682 -14.258 -4.509 1.00 0.00 H new ATOM 467 N GLU A 29 13.563 -14.745 -0.281 1.00 0.00 N ATOM 468 CA GLU A 29 13.234 -15.078 1.102 1.00 0.00 C ATOM 469 C GLU A 29 11.743 -14.977 1.381 1.00 0.00 C ATOM 470 O GLU A 29 11.220 -15.781 2.148 1.00 0.00 O ATOM 471 CB GLU A 29 13.995 -14.136 2.046 1.00 0.00 C ATOM 472 CG GLU A 29 15.488 -14.442 2.135 1.00 0.00 C ATOM 473 CD GLU A 29 15.811 -15.497 3.214 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.395 -16.674 3.078 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.490 -15.155 4.212 1.00 0.00 O ATOM 0 H GLU A 29 14.216 -13.966 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 29 13.530 -16.113 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.862 -13.109 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.558 -14.202 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.841 -14.797 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.032 -13.523 2.355 1.00 0.00 H new ATOM 482 N ILE A 30 11.074 -14.026 0.729 1.00 0.00 N ATOM 483 CA ILE A 30 9.615 -13.920 0.687 1.00 0.00 C ATOM 484 C ILE A 30 9.019 -15.306 0.443 1.00 0.00 C ATOM 485 O ILE A 30 8.226 -15.785 1.249 1.00 0.00 O ATOM 486 CB ILE A 30 9.186 -12.897 -0.392 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.487 -11.456 0.077 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.721 -13.026 -0.858 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.378 -10.734 0.869 1.00 0.00 C ATOM 0 H ILE A 30 11.543 -13.289 0.202 1.00 0.00 H new ATOM 0 HA ILE A 30 9.235 -13.554 1.641 1.00 0.00 H new ATOM 0 HB ILE A 30 9.786 -13.133 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.384 -11.481 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.722 -10.855 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.512 -12.269 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.560 -14.017 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.055 -12.883 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.716 -9.733 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.481 -10.661 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.153 -11.297 1.775 1.00 0.00 H new ATOM 501 N TRP A 31 9.407 -15.971 -0.644 1.00 0.00 N ATOM 502 CA TRP A 31 8.792 -17.225 -1.075 1.00 0.00 C ATOM 503 C TRP A 31 9.218 -18.403 -0.201 1.00 0.00 C ATOM 504 O TRP A 31 8.421 -19.315 0.033 1.00 0.00 O ATOM 505 CB TRP A 31 9.161 -17.485 -2.536 1.00 0.00 C ATOM 506 CG TRP A 31 8.822 -16.338 -3.433 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.726 -15.592 -4.101 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.527 -15.700 -3.663 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.100 -14.501 -4.664 1.00 0.00 N ATOM 510 CE2 TRP A 31 7.752 -14.485 -4.375 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.190 -15.998 -3.314 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.717 -13.579 -4.652 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.135 -15.129 -3.656 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.396 -13.910 -4.305 1.00 0.00 C ATOM 0 H TRP A 31 10.161 -15.653 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 31 7.711 -17.129 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.229 -17.691 -2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.641 -18.378 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 31 10.779 -15.816 -4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.575 -13.793 -5.225 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.973 -16.909 -2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.934 -12.634 -5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.118 -15.402 -3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.587 -13.232 -4.535 1.00 0.00 H new ATOM 525 N TYR A 32 10.463 -18.388 0.278 1.00 0.00 N ATOM 526 CA TYR A 32 11.088 -19.549 0.908 1.00 0.00 C ATOM 527 C TYR A 32 10.943 -19.555 2.437 1.00 0.00 C ATOM 528 O TYR A 32 11.500 -20.427 3.109 1.00 0.00 O ATOM 529 CB TYR A 32 12.534 -19.653 0.401 1.00 0.00 C ATOM 530 CG TYR A 32 12.614 -19.847 -1.103 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.942 -20.923 -1.713 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.303 -18.919 -1.900 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.938 -21.059 -3.109 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.264 -19.018 -3.301 1.00 0.00 C ATOM 535 CZ TYR A 32 12.588 -20.096 -3.916 1.00 0.00 C ATOM 536 OH TYR A 32 12.564 -20.191 -5.278 1.00 0.00 O ATOM 0 H TYR A 32 11.067 -17.567 0.239 1.00 0.00 H new ATOM 0 HA TYR A 32 10.561 -20.457 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.077 -18.749 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.030 -20.487 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.426 -21.649 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.866 -18.124 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.438 -21.899 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.751 -18.270 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 32 13.062 -19.442 -5.667 1.00 0.00 H new ATOM 546 N ASN A 33 10.157 -18.628 2.992 1.00 0.00 N ATOM 547 CA ASN A 33 9.807 -18.534 4.398 1.00 0.00 C ATOM 548 C ASN A 33 8.304 -18.275 4.425 1.00 0.00 C ATOM 549 O ASN A 33 7.880 -17.128 4.306 1.00 0.00 O ATOM 550 CB ASN A 33 10.577 -17.371 5.030 1.00 0.00 C ATOM 551 CG ASN A 33 12.072 -17.614 5.101 1.00 0.00 C ATOM 552 OD1 ASN A 33 12.589 -18.253 6.016 1.00 0.00 O ATOM 553 ND2 ASN A 33 12.778 -17.080 4.124 1.00 0.00 N ATOM 0 H ASN A 33 9.729 -17.887 2.437 1.00 0.00 H new ATOM 0 HA ASN A 33 10.058 -19.435 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.390 -16.464 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.196 -17.195 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.792 -17.190 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.310 -16.557 3.384 1.00 0.00 H new ATOM 560 N ARG A 34 7.486 -19.335 4.463 1.00 0.00 N ATOM 561 CA ARG A 34 6.047 -19.264 4.174 1.00 0.00 C ATOM 562 C ARG A 34 5.300 -18.202 4.977 1.00 0.00 C ATOM 563 O ARG A 34 4.377 -17.553 4.479 1.00 0.00 O ATOM 564 CB ARG A 34 5.414 -20.648 4.338 1.00 0.00 C ATOM 565 CG ARG A 34 5.254 -21.161 5.777 1.00 0.00 C ATOM 566 CD ARG A 34 4.682 -22.575 5.700 1.00 0.00 C ATOM 567 NE ARG A 34 4.433 -23.142 7.040 1.00 0.00 N ATOM 568 CZ ARG A 34 3.899 -24.347 7.292 1.00 0.00 C ATOM 569 NH1 ARG A 34 3.546 -25.157 6.293 1.00 0.00 N ATOM 570 NH2 ARG A 34 3.719 -24.741 8.550 1.00 0.00 N ATOM 0 H ARG A 34 7.807 -20.274 4.697 1.00 0.00 H new ATOM 0 HA ARG A 34 5.951 -18.943 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.430 -20.631 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.017 -21.367 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.215 -21.164 6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.590 -20.509 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.751 -22.560 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.375 -23.218 5.157 1.00 0.00 H new ATOM 0 HE ARG A 34 4.689 -22.568 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.681 -24.863 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.141 -26.071 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.987 -24.128 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.313 -25.656 8.745 1.00 0.00 H new ATOM 584 N GLU A 35 5.689 -18.031 6.234 1.00 0.00 N ATOM 585 CA GLU A 35 5.085 -17.047 7.118 1.00 0.00 C ATOM 586 C GLU A 35 5.566 -15.628 6.799 1.00 0.00 C ATOM 587 O GLU A 35 4.795 -14.678 6.916 1.00 0.00 O ATOM 588 CB GLU A 35 5.301 -17.421 8.597 1.00 0.00 C ATOM 589 CG GLU A 35 6.750 -17.450 9.119 1.00 0.00 C ATOM 590 CD GLU A 35 7.528 -18.701 8.669 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.105 -18.681 7.556 1.00 0.00 O ATOM 592 OE2 GLU A 35 7.555 -19.706 9.419 1.00 0.00 O ATOM 0 H GLU A 35 6.435 -18.574 6.669 1.00 0.00 H new ATOM 0 HA GLU A 35 4.010 -17.056 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.737 -16.716 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.864 -18.406 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.273 -16.559 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.739 -17.408 10.208 1.00 0.00 H new ATOM 599 N ARG A 36 6.811 -15.473 6.341 1.00 0.00 N ATOM 600 CA ARG A 36 7.343 -14.189 5.923 1.00 0.00 C ATOM 601 C ARG A 36 6.810 -13.801 4.549 1.00 0.00 C ATOM 602 O ARG A 36 6.822 -12.612 4.232 1.00 0.00 O ATOM 603 CB ARG A 36 8.864 -14.209 5.943 1.00 0.00 C ATOM 604 CG ARG A 36 9.463 -14.457 7.338 1.00 0.00 C ATOM 605 CD ARG A 36 8.964 -13.508 8.444 1.00 0.00 C ATOM 606 NE ARG A 36 9.520 -12.146 8.306 1.00 0.00 N ATOM 607 CZ ARG A 36 9.189 -11.091 9.066 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.081 -11.091 9.801 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.980 -10.022 9.086 1.00 0.00 N ATOM 0 H ARG A 36 7.475 -16.242 6.252 1.00 0.00 H new ATOM 0 HA ARG A 36 7.009 -13.431 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.217 -14.984 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.236 -13.258 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.241 -15.482 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.548 -14.372 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.876 -13.459 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.238 -13.913 9.418 1.00 0.00 H new ATOM 0 HE ARG A 36 10.213 -11.995 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.464 -11.903 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.848 -10.279 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.832 -10.008 8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.734 -9.217 9.662 1.00 0.00 H new ATOM 623 N SER A 37 6.317 -14.747 3.751 1.00 0.00 N ATOM 624 CA SER A 37 5.576 -14.374 2.559 1.00 0.00 C ATOM 625 C SER A 37 4.335 -13.604 3.003 1.00 0.00 C ATOM 626 O SER A 37 4.108 -12.501 2.522 1.00 0.00 O ATOM 627 CB SER A 37 5.180 -15.566 1.671 1.00 0.00 C ATOM 628 OG SER A 37 5.922 -16.736 1.941 1.00 0.00 O ATOM 0 H SER A 37 6.416 -15.750 3.906 1.00 0.00 H new ATOM 0 HA SER A 37 6.228 -13.760 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.120 -15.777 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.316 -15.291 0.625 1.00 0.00 H new ATOM 0 HG SER A 37 6.875 -16.513 1.999 1.00 0.00 H new ATOM 634 N GLU A 38 3.564 -14.159 3.946 1.00 0.00 N ATOM 635 CA GLU A 38 2.246 -13.682 4.330 1.00 0.00 C ATOM 636 C GLU A 38 2.242 -12.199 4.722 1.00 0.00 C ATOM 637 O GLU A 38 1.288 -11.490 4.400 1.00 0.00 O ATOM 638 CB GLU A 38 1.708 -14.574 5.459 1.00 0.00 C ATOM 639 CG GLU A 38 0.190 -14.706 5.347 1.00 0.00 C ATOM 640 CD GLU A 38 -0.404 -15.525 6.510 1.00 0.00 C ATOM 641 OE1 GLU A 38 -0.337 -16.778 6.470 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.955 -14.925 7.466 1.00 0.00 O ATOM 0 H GLU A 38 3.858 -14.980 4.476 1.00 0.00 H new ATOM 0 HA GLU A 38 1.586 -13.751 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.171 -15.559 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.973 -14.148 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.261 -13.714 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.064 -15.183 4.400 1.00 0.00 H new ATOM 649 N GLU A 39 3.312 -11.708 5.352 1.00 0.00 N ATOM 650 CA GLU A 39 3.444 -10.326 5.794 1.00 0.00 C ATOM 651 C GLU A 39 3.302 -9.351 4.617 1.00 0.00 C ATOM 652 O GLU A 39 2.743 -8.263 4.771 1.00 0.00 O ATOM 653 CB GLU A 39 4.821 -10.110 6.453 1.00 0.00 C ATOM 654 CG GLU A 39 5.467 -11.290 7.184 1.00 0.00 C ATOM 655 CD GLU A 39 4.834 -11.712 8.526 1.00 0.00 C ATOM 656 OE1 GLU A 39 3.627 -11.470 8.771 1.00 0.00 O ATOM 657 OE2 GLU A 39 5.587 -12.259 9.374 1.00 0.00 O ATOM 0 H GLU A 39 4.128 -12.278 5.572 1.00 0.00 H new ATOM 0 HA GLU A 39 2.649 -10.132 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.513 -9.780 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.724 -9.290 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.452 -12.152 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.514 -11.045 7.365 1.00 0.00 H new ATOM 664 N LEU A 40 3.792 -9.758 3.441 1.00 0.00 N ATOM 665 CA LEU A 40 3.649 -9.013 2.193 1.00 0.00 C ATOM 666 C LEU A 40 2.155 -8.787 1.923 1.00 0.00 C ATOM 667 O LEU A 40 1.692 -7.659 1.757 1.00 0.00 O ATOM 668 CB LEU A 40 4.321 -9.793 1.039 1.00 0.00 C ATOM 669 CG LEU A 40 4.527 -9.086 -0.324 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.278 -10.085 -1.459 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.698 -7.813 -0.532 1.00 0.00 C ATOM 0 H LEU A 40 4.308 -10.631 3.332 1.00 0.00 H new ATOM 0 HA LEU A 40 4.142 -8.044 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.299 -10.123 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.728 -10.690 0.859 1.00 0.00 H new ATOM 0 HG LEU A 40 5.561 -8.742 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.423 -9.589 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.977 -10.917 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.257 -10.461 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.914 -7.395 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.637 -8.055 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.952 -7.083 0.237 1.00 0.00 H new ATOM 683 N PHE A 41 1.396 -9.877 1.904 1.00 0.00 N ATOM 684 CA PHE A 41 -0.013 -9.883 1.548 1.00 0.00 C ATOM 685 C PHE A 41 -0.818 -9.086 2.571 1.00 0.00 C ATOM 686 O PHE A 41 -1.722 -8.335 2.200 1.00 0.00 O ATOM 687 CB PHE A 41 -0.499 -11.324 1.412 1.00 0.00 C ATOM 688 CG PHE A 41 0.329 -12.067 0.392 1.00 0.00 C ATOM 689 CD1 PHE A 41 -0.030 -12.058 -0.963 1.00 0.00 C ATOM 690 CD2 PHE A 41 1.545 -12.643 0.790 1.00 0.00 C ATOM 691 CE1 PHE A 41 0.811 -12.662 -1.913 1.00 0.00 C ATOM 692 CE2 PHE A 41 2.396 -13.235 -0.159 1.00 0.00 C ATOM 693 CZ PHE A 41 2.023 -13.251 -1.513 1.00 0.00 C ATOM 0 H PHE A 41 1.755 -10.802 2.142 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.158 -9.396 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.436 -11.828 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.548 -11.334 1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.951 -11.588 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.829 -12.631 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.525 -12.674 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.332 -13.675 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.666 -13.715 -2.246 1.00 0.00 H new ATOM 703 N TRP A 42 -0.454 -9.192 3.848 1.00 0.00 N ATOM 704 CA TRP A 42 -1.033 -8.361 4.885 1.00 0.00 C ATOM 705 C TRP A 42 -0.780 -6.863 4.651 1.00 0.00 C ATOM 706 O TRP A 42 -1.693 -6.071 4.891 1.00 0.00 O ATOM 707 CB TRP A 42 -0.551 -8.855 6.251 1.00 0.00 C ATOM 708 CG TRP A 42 -1.281 -10.085 6.699 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.746 -11.316 6.850 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.713 -10.246 6.950 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.733 -12.217 7.195 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.976 -11.621 7.233 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.821 -9.371 6.923 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -4.278 -12.101 7.460 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -5.129 -9.842 7.143 1.00 0.00 C ATOM 716 CH2 TRP A 42 -5.362 -11.205 7.406 1.00 0.00 C ATOM 0 H TRP A 42 0.246 -9.853 4.184 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.118 -8.458 4.854 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.517 -9.066 6.203 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.687 -8.065 6.990 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.298 -11.559 6.720 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.564 -13.202 7.397 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.662 -8.320 6.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.444 -13.146 7.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.960 -9.153 7.110 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.369 -11.562 7.566 1.00 0.00 H new ATOM 727 N GLU A 43 0.390 -6.444 4.154 1.00 0.00 N ATOM 728 CA GLU A 43 0.661 -5.038 3.884 1.00 0.00 C ATOM 729 C GLU A 43 -0.182 -4.518 2.718 1.00 0.00 C ATOM 730 O GLU A 43 -0.651 -3.381 2.769 1.00 0.00 O ATOM 731 CB GLU A 43 2.158 -4.831 3.591 1.00 0.00 C ATOM 732 CG GLU A 43 2.985 -4.745 4.875 1.00 0.00 C ATOM 733 CD GLU A 43 2.843 -3.359 5.530 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.454 -2.389 5.016 1.00 0.00 O ATOM 735 OE2 GLU A 43 2.133 -3.234 6.557 1.00 0.00 O ATOM 0 H GLU A 43 1.165 -7.068 3.931 1.00 0.00 H new ATOM 0 HA GLU A 43 0.388 -4.469 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.525 -5.654 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.291 -3.917 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.660 -5.516 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.034 -4.939 4.650 1.00 0.00 H new ATOM 742 N VAL A 44 -0.403 -5.308 1.661 1.00 0.00 N ATOM 743 CA VAL A 44 -1.182 -4.839 0.535 1.00 0.00 C ATOM 744 C VAL A 44 -2.668 -4.784 0.863 1.00 0.00 C ATOM 745 O VAL A 44 -3.330 -3.804 0.527 1.00 0.00 O ATOM 746 CB VAL A 44 -0.898 -5.664 -0.713 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.536 -5.395 -1.171 1.00 0.00 C ATOM 748 CG2 VAL A 44 -1.029 -7.166 -0.551 1.00 0.00 C ATOM 0 H VAL A 44 -0.054 -6.262 1.572 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.872 -3.816 0.321 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.658 -5.352 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.749 -5.982 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.653 -4.335 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.230 -5.676 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.805 -7.655 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.330 -7.512 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.047 -7.412 -0.247 1.00 0.00 H new ATOM 758 N MET A 45 -3.188 -5.796 1.552 1.00 0.00 N ATOM 759 CA MET A 45 -4.513 -5.751 2.135 1.00 0.00 C ATOM 760 C MET A 45 -4.665 -4.496 2.984 1.00 0.00 C ATOM 761 O MET A 45 -5.652 -3.784 2.833 1.00 0.00 O ATOM 762 CB MET A 45 -4.773 -7.006 2.979 1.00 0.00 C ATOM 763 CG MET A 45 -5.580 -8.015 2.166 1.00 0.00 C ATOM 764 SD MET A 45 -4.804 -8.596 0.631 1.00 0.00 S ATOM 765 CE MET A 45 -6.288 -9.100 -0.275 1.00 0.00 C ATOM 0 H MET A 45 -2.694 -6.673 1.719 1.00 0.00 H new ATOM 0 HA MET A 45 -5.249 -5.723 1.331 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.827 -7.449 3.290 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.314 -6.740 3.887 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.785 -8.880 2.797 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.542 -7.566 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.003 -9.488 -1.253 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.810 -9.876 0.285 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.946 -8.240 -0.403 1.00 0.00 H new ATOM 775 N ASP A 46 -3.701 -4.208 3.852 1.00 0.00 N ATOM 776 CA ASP A 46 -3.742 -3.018 4.695 1.00 0.00 C ATOM 777 C ASP A 46 -3.807 -1.734 3.863 1.00 0.00 C ATOM 778 O ASP A 46 -4.557 -0.811 4.195 1.00 0.00 O ATOM 779 CB ASP A 46 -2.536 -2.954 5.626 1.00 0.00 C ATOM 780 CG ASP A 46 -2.609 -1.681 6.483 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.418 -1.649 7.443 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.845 -0.720 6.222 1.00 0.00 O ATOM 0 H ASP A 46 -2.874 -4.789 3.991 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.651 -3.094 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.513 -3.835 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.615 -2.959 5.044 1.00 0.00 H new ATOM 787 N GLU A 47 -3.086 -1.691 2.743 1.00 0.00 N ATOM 788 CA GLU A 47 -3.112 -0.601 1.787 1.00 0.00 C ATOM 789 C GLU A 47 -4.506 -0.381 1.161 1.00 0.00 C ATOM 790 O GLU A 47 -4.734 0.671 0.559 1.00 0.00 O ATOM 791 CB GLU A 47 -2.054 -0.868 0.701 1.00 0.00 C ATOM 792 CG GLU A 47 -0.775 -0.045 0.858 1.00 0.00 C ATOM 793 CD GLU A 47 -1.015 1.467 0.675 1.00 0.00 C ATOM 794 OE1 GLU A 47 -0.997 1.956 -0.480 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.194 2.182 1.692 1.00 0.00 O ATOM 0 H GLU A 47 -2.450 -2.441 2.474 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.879 0.321 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.795 -1.927 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.491 -0.658 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.351 -0.225 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.038 -0.383 0.129 1.00 0.00 H new ATOM 802 N VAL A 48 -5.444 -1.322 1.324 1.00 0.00 N ATOM 803 CA VAL A 48 -6.811 -1.243 0.806 1.00 0.00 C ATOM 804 C VAL A 48 -7.839 -1.620 1.868 1.00 0.00 C ATOM 805 O VAL A 48 -8.986 -1.928 1.548 1.00 0.00 O ATOM 806 CB VAL A 48 -6.985 -2.107 -0.457 1.00 0.00 C ATOM 807 CG1 VAL A 48 -6.053 -1.617 -1.563 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.723 -3.605 -0.247 1.00 0.00 C ATOM 0 H VAL A 48 -5.265 -2.186 1.836 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.988 -0.204 0.529 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.034 -1.997 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.185 -2.236 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.288 -0.581 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.019 -1.685 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.869 -4.135 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.699 -3.751 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.415 -3.994 0.500 1.00 0.00 H new ATOM 818 N HIS A 49 -7.445 -1.640 3.137 1.00 0.00 N ATOM 819 CA HIS A 49 -8.288 -2.192 4.183 1.00 0.00 C ATOM 820 C HIS A 49 -9.601 -1.414 4.345 1.00 0.00 C ATOM 821 O HIS A 49 -10.601 -1.995 4.764 1.00 0.00 O ATOM 822 CB HIS A 49 -7.495 -2.338 5.490 1.00 0.00 C ATOM 823 CG HIS A 49 -7.466 -3.746 6.036 1.00 0.00 C ATOM 824 ND1 HIS A 49 -7.508 -4.116 7.362 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.355 -4.900 5.304 1.00 0.00 C ATOM 826 CE1 HIS A 49 -7.436 -5.459 7.424 1.00 0.00 C ATOM 827 NE2 HIS A 49 -7.341 -5.987 6.189 1.00 0.00 N ATOM 0 H HIS A 49 -6.548 -1.280 3.462 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.593 -3.195 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.471 -2.003 5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.927 -1.677 6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.289 -4.961 4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.452 -6.034 8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.273 -6.976 5.947 1.00 0.00 H new ATOM 835 N GLU A 50 -9.625 -0.140 3.938 1.00 0.00 N ATOM 836 CA GLU A 50 -10.843 0.664 3.866 1.00 0.00 C ATOM 837 C GLU A 50 -11.897 0.106 2.892 1.00 0.00 C ATOM 838 O GLU A 50 -13.088 0.356 3.070 1.00 0.00 O ATOM 839 CB GLU A 50 -10.500 2.119 3.534 1.00 0.00 C ATOM 840 CG GLU A 50 -9.779 2.282 2.196 1.00 0.00 C ATOM 841 CD GLU A 50 -9.584 3.767 1.833 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.550 4.359 2.231 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.456 4.350 1.142 1.00 0.00 O ATOM 0 H GLU A 50 -8.788 0.365 3.647 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.303 0.618 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.418 2.706 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.874 2.527 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.809 1.788 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.351 1.787 1.411 1.00 0.00 H new ATOM 850 N GLU A 51 -11.478 -0.652 1.875 1.00 0.00 N ATOM 851 CA GLU A 51 -12.379 -1.384 0.990 1.00 0.00 C ATOM 852 C GLU A 51 -12.597 -2.797 1.546 1.00 0.00 C ATOM 853 O GLU A 51 -13.722 -3.296 1.582 1.00 0.00 O ATOM 854 CB GLU A 51 -11.765 -1.497 -0.410 1.00 0.00 C ATOM 855 CG GLU A 51 -11.700 -0.147 -1.134 1.00 0.00 C ATOM 856 CD GLU A 51 -10.930 -0.253 -2.463 1.00 0.00 C ATOM 857 OE1 GLU A 51 -9.851 -0.894 -2.497 1.00 0.00 O ATOM 858 OE2 GLU A 51 -11.415 0.279 -3.490 1.00 0.00 O ATOM 0 H GLU A 51 -10.492 -0.774 1.643 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.327 -0.850 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.760 -1.911 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.352 -2.197 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.711 0.212 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.217 0.589 -0.491 1.00 0.00 H new ATOM 865 N GLU A 52 -11.515 -3.455 1.971 1.00 0.00 N ATOM 866 CA GLU A 52 -11.539 -4.858 2.365 1.00 0.00 C ATOM 867 C GLU A 52 -12.398 -5.094 3.604 1.00 0.00 C ATOM 868 O GLU A 52 -12.977 -6.172 3.715 1.00 0.00 O ATOM 869 CB GLU A 52 -10.123 -5.395 2.569 1.00 0.00 C ATOM 870 CG GLU A 52 -9.345 -5.489 1.254 1.00 0.00 C ATOM 871 CD GLU A 52 -9.942 -6.481 0.250 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.125 -7.669 0.588 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.227 -6.076 -0.903 1.00 0.00 O ATOM 0 H GLU A 52 -10.594 -3.023 2.050 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.000 -5.411 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.586 -4.746 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.173 -6.381 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.306 -4.501 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.317 -5.781 1.471 1.00 0.00 H new ATOM 880 N GLU A 53 -12.581 -4.114 4.496 1.00 0.00 N ATOM 881 CA GLU A 53 -13.495 -4.251 5.630 1.00 0.00 C ATOM 882 C GLU A 53 -14.959 -4.481 5.194 1.00 0.00 C ATOM 883 O GLU A 53 -15.792 -4.848 6.028 1.00 0.00 O ATOM 884 CB GLU A 53 -13.347 -3.067 6.601 1.00 0.00 C ATOM 885 CG GLU A 53 -13.892 -1.739 6.059 1.00 0.00 C ATOM 886 CD GLU A 53 -13.760 -0.615 7.106 1.00 0.00 C ATOM 887 OE1 GLU A 53 -14.588 -0.559 8.050 1.00 0.00 O ATOM 888 OE2 GLU A 53 -12.832 0.227 7.004 1.00 0.00 O ATOM 0 H GLU A 53 -12.104 -3.213 4.452 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.208 -5.154 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.863 -3.307 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.292 -2.942 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.351 -1.463 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.939 -1.859 5.780 1.00 0.00 H new ATOM 895 N PHE A 54 -15.268 -4.331 3.899 1.00 0.00 N ATOM 896 CA PHE A 54 -16.561 -4.634 3.294 1.00 0.00 C ATOM 897 C PHE A 54 -16.453 -5.747 2.235 1.00 0.00 C ATOM 898 O PHE A 54 -17.470 -6.104 1.634 1.00 0.00 O ATOM 899 CB PHE A 54 -17.135 -3.362 2.648 1.00 0.00 C ATOM 900 CG PHE A 54 -17.192 -2.141 3.546 1.00 0.00 C ATOM 901 CD1 PHE A 54 -18.117 -2.082 4.607 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.325 -1.057 3.315 1.00 0.00 C ATOM 903 CE1 PHE A 54 -18.175 -0.943 5.431 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.384 0.084 4.139 1.00 0.00 C ATOM 905 CZ PHE A 54 -17.307 0.139 5.198 1.00 0.00 C ATOM 0 H PHE A 54 -14.592 -3.980 3.221 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.224 -4.989 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.535 -3.119 1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.143 -3.578 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.783 -2.913 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.613 -1.100 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.886 -0.899 6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.720 0.916 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.350 1.012 5.833 1.00 0.00 H new ATOM 915 N ALA A 55 -15.252 -6.286 1.975 1.00 0.00 N ATOM 916 CA ALA A 55 -14.989 -7.135 0.814 1.00 0.00 C ATOM 917 C ALA A 55 -14.007 -8.283 1.055 1.00 0.00 C ATOM 918 O ALA A 55 -13.709 -9.015 0.111 1.00 0.00 O ATOM 919 CB ALA A 55 -14.523 -6.259 -0.356 1.00 0.00 C ATOM 0 H ALA A 55 -14.436 -6.142 2.570 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.932 -7.629 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.325 -6.887 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.300 -5.535 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.612 -5.731 -0.075 1.00 0.00 H new ATOM 925 N VAL A 56 -13.516 -8.502 2.275 1.00 0.00 N ATOM 926 CA VAL A 56 -12.679 -9.654 2.609 1.00 0.00 C ATOM 927 C VAL A 56 -13.569 -10.887 2.857 1.00 0.00 C ATOM 928 O VAL A 56 -13.591 -11.489 3.929 1.00 0.00 O ATOM 929 CB VAL A 56 -11.641 -9.265 3.684 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.193 -8.995 5.087 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.515 -10.304 3.726 1.00 0.00 C ATOM 0 H VAL A 56 -13.689 -7.880 3.065 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.048 -9.970 1.778 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.258 -8.295 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.374 -8.731 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.906 -8.172 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.692 -9.889 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.787 -10.022 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.931 -11.282 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.024 -10.348 2.754 1.00 0.00 H new ATOM 941 N GLU A 57 -14.378 -11.231 1.851 1.00 0.00 N ATOM 942 CA GLU A 57 -15.486 -12.177 1.967 1.00 0.00 C ATOM 943 C GLU A 57 -15.023 -13.644 1.829 1.00 0.00 C ATOM 944 O GLU A 57 -15.848 -14.544 1.644 1.00 0.00 O ATOM 945 CB GLU A 57 -16.557 -11.822 0.922 1.00 0.00 C ATOM 946 CG GLU A 57 -17.024 -10.354 0.991 1.00 0.00 C ATOM 947 CD GLU A 57 -18.546 -10.219 0.793 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.296 -10.306 1.797 1.00 0.00 O ATOM 949 OE2 GLU A 57 -18.999 -10.020 -0.360 1.00 0.00 O ATOM 0 H GLU A 57 -14.276 -10.849 0.911 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.912 -12.092 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.162 -12.022 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.418 -12.475 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.746 -9.931 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.507 -9.773 0.227 1.00 0.00 H new ATOM 956 N GLY A 58 -13.715 -13.903 1.885 1.00 0.00 N ATOM 957 CA GLY A 58 -13.124 -15.226 1.721 1.00 0.00 C ATOM 958 C GLY A 58 -11.644 -15.208 2.112 1.00 0.00 C ATOM 959 O GLY A 58 -11.115 -14.147 2.465 1.00 0.00 O ATOM 0 H GLY A 58 -13.020 -13.175 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.660 -15.948 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.228 -15.551 0.686 1.00 0.00 H new ATOM 963 N PRO A 59 -10.978 -16.375 2.064 1.00 0.00 N ATOM 964 CA PRO A 59 -9.571 -16.526 2.416 1.00 0.00 C ATOM 965 C PRO A 59 -8.668 -15.886 1.357 1.00 0.00 C ATOM 966 O PRO A 59 -9.110 -15.580 0.246 1.00 0.00 O ATOM 967 CB PRO A 59 -9.343 -18.033 2.514 1.00 0.00 C ATOM 968 CG PRO A 59 -10.319 -18.569 1.477 1.00 0.00 C ATOM 969 CD PRO A 59 -11.524 -17.650 1.629 1.00 0.00 C ATOM 0 HA PRO A 59 -9.327 -16.024 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.313 -18.306 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.558 -18.414 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.903 -18.525 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.579 -19.610 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.062 -17.547 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.231 -18.045 2.358 1.00 0.00 H new ATOM 977 N LEU A 60 -7.382 -15.731 1.688 1.00 0.00 N ATOM 978 CA LEU A 60 -6.378 -15.303 0.721 1.00 0.00 C ATOM 979 C LEU A 60 -6.136 -16.427 -0.295 1.00 0.00 C ATOM 980 O LEU A 60 -6.152 -17.615 0.043 1.00 0.00 O ATOM 981 CB LEU A 60 -5.047 -14.931 1.404 1.00 0.00 C ATOM 982 CG LEU A 60 -5.071 -13.640 2.249 1.00 0.00 C ATOM 983 CD1 LEU A 60 -3.710 -13.444 2.929 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.381 -12.393 1.407 1.00 0.00 C ATOM 0 H LEU A 60 -7.015 -15.898 2.625 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.755 -14.413 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.744 -15.759 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.281 -14.827 0.635 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.864 -13.756 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.729 -12.532 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.500 -14.296 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.932 -13.365 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.386 -11.512 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.619 -12.276 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.358 -12.505 0.937 1.00 0.00 H new ATOM 996 N TRP A 61 -5.819 -16.014 -1.520 1.00 0.00 N ATOM 997 CA TRP A 61 -5.415 -16.816 -2.666 1.00 0.00 C ATOM 998 C TRP A 61 -4.452 -15.918 -3.433 1.00 0.00 C ATOM 999 O TRP A 61 -4.695 -14.710 -3.483 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.625 -17.041 -3.571 1.00 0.00 C ATOM 1001 CG TRP A 61 -7.735 -17.919 -3.101 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -8.821 -17.499 -2.421 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -7.946 -19.333 -3.358 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -9.688 -18.559 -2.225 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.194 -19.722 -2.781 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.211 -20.315 -4.047 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -9.673 -21.039 -2.870 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.682 -21.639 -4.141 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -8.908 -22.003 -3.553 1.00 0.00 C ATOM 0 H TRP A 61 -5.841 -15.021 -1.753 1.00 0.00 H new ATOM 0 HA TRP A 61 -4.992 -17.775 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.053 -16.064 -3.795 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.258 -17.452 -4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.989 -16.488 -2.081 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.579 -18.490 -1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.272 -20.050 -4.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.617 -21.309 -2.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.099 -22.380 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.261 -23.021 -3.626 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.374 -16.437 -4.026 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.385 -15.575 -4.678 1.00 0.00 C ATOM 1022 C ILE A 62 -1.819 -16.251 -5.935 1.00 0.00 C ATOM 1023 O ILE A 62 -1.765 -17.480 -6.016 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.325 -15.051 -3.652 1.00 0.00 C ATOM 1025 CG1 ILE A 62 0.112 -15.595 -3.830 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -1.675 -15.192 -2.159 1.00 0.00 C ATOM 1027 CD1 ILE A 62 0.878 -14.783 -4.875 1.00 0.00 C ATOM 0 H ILE A 62 -3.165 -17.435 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.868 -14.670 -5.045 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.358 -13.996 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.640 -15.558 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.074 -16.641 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.860 -14.793 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.590 -14.639 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.823 -16.245 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.885 -15.185 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.360 -14.842 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.935 -13.742 -4.557 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.380 -15.442 -6.904 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.622 -15.841 -8.092 1.00 0.00 C ATOM 1041 C GLN A 63 0.479 -14.790 -8.286 1.00 0.00 C ATOM 1042 O GLN A 63 0.276 -13.632 -7.933 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.598 -15.926 -9.285 1.00 0.00 C ATOM 1044 CG GLN A 63 -0.937 -16.230 -10.640 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.963 -16.414 -11.767 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -2.972 -17.102 -11.620 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -1.736 -15.810 -12.925 1.00 0.00 N ATOM 0 H GLN A 63 -1.554 -14.437 -6.879 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.153 -16.820 -7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.338 -16.699 -9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.137 -14.982 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.259 -15.417 -10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.333 -17.133 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.899 -15.239 -13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.398 -15.916 -13.694 1.00 0.00 H new ATOM 1056 N VAL A 64 1.645 -15.136 -8.827 1.00 0.00 N ATOM 1057 CA VAL A 64 2.764 -14.198 -8.960 1.00 0.00 C ATOM 1058 C VAL A 64 3.474 -14.436 -10.299 1.00 0.00 C ATOM 1059 O VAL A 64 3.373 -15.528 -10.866 1.00 0.00 O ATOM 1060 CB VAL A 64 3.696 -14.326 -7.735 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.467 -15.654 -7.668 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.683 -13.155 -7.661 1.00 0.00 C ATOM 0 H VAL A 64 1.843 -16.070 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 64 2.408 -13.168 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 64 3.030 -14.305 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.098 -15.664 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.761 -16.483 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.090 -15.758 -8.556 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.325 -13.275 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.296 -13.138 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.131 -12.219 -7.580 1.00 0.00 H new ATOM 1072 N GLN A 65 4.237 -13.451 -10.781 1.00 0.00 N ATOM 1073 CA GLN A 65 5.285 -13.664 -11.755 1.00 0.00 C ATOM 1074 C GLN A 65 6.427 -12.725 -11.389 1.00 0.00 C ATOM 1075 O GLN A 65 6.189 -11.660 -10.815 1.00 0.00 O ATOM 1076 CB GLN A 65 4.783 -13.415 -13.186 1.00 0.00 C ATOM 1077 CG GLN A 65 4.021 -12.098 -13.402 1.00 0.00 C ATOM 1078 CD GLN A 65 2.510 -12.262 -13.262 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.931 -11.839 -12.153 1.00 0.00 O flip ATOM 1080 NE2 GLN A 65 1.839 -12.765 -14.162 1.00 0.00 N flip ATOM 0 H GLN A 65 4.135 -12.477 -10.496 1.00 0.00 H new ATOM 0 HA GLN A 65 5.622 -14.700 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.639 -13.434 -13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.133 -14.242 -13.473 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.370 -11.358 -12.681 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.250 -11.709 -14.394 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.293 -13.090 -15.016 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.829 -12.857 -14.054 1.00 0.00 H new ATOM 1089 N ALA A 66 7.652 -13.103 -11.736 1.00 0.00 N ATOM 1090 CA ALA A 66 8.836 -12.291 -11.500 1.00 0.00 C ATOM 1091 C ALA A 66 9.242 -11.626 -12.818 1.00 0.00 C ATOM 1092 O ALA A 66 9.131 -12.220 -13.893 1.00 0.00 O ATOM 1093 CB ALA A 66 9.947 -13.150 -10.885 1.00 0.00 C ATOM 0 H ALA A 66 7.851 -13.992 -12.194 1.00 0.00 H new ATOM 0 HA ALA A 66 8.632 -11.499 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.829 -12.534 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.603 -13.566 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.199 -13.962 -11.567 1.00 0.00 H new ATOM 1099 N LEU A 67 9.685 -10.377 -12.711 1.00 0.00 N ATOM 1100 CA LEU A 67 10.006 -9.446 -13.784 1.00 0.00 C ATOM 1101 C LEU A 67 11.456 -8.971 -13.578 1.00 0.00 C ATOM 1102 O LEU A 67 12.162 -9.478 -12.704 1.00 0.00 O ATOM 1103 CB LEU A 67 8.993 -8.278 -13.757 1.00 0.00 C ATOM 1104 CG LEU A 67 7.537 -8.719 -14.032 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.753 -8.948 -12.751 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.771 -7.669 -14.830 1.00 0.00 C ATOM 0 H LEU A 67 9.841 -9.957 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 67 9.933 -9.915 -14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.039 -7.790 -12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.286 -7.536 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 67 7.623 -9.649 -14.594 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.737 -9.256 -12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.237 -9.728 -12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.722 -8.024 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.752 -8.015 -15.003 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.746 -6.734 -14.271 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.267 -7.506 -15.787 1.00 0.00 H new ATOM 1118 N ASP A 68 11.928 -8.023 -14.396 1.00 0.00 N ATOM 1119 CA ASP A 68 13.360 -7.708 -14.495 1.00 0.00 C ATOM 1120 C ASP A 68 13.989 -7.237 -13.175 1.00 0.00 C ATOM 1121 O ASP A 68 15.121 -7.627 -12.880 1.00 0.00 O ATOM 1122 CB ASP A 68 13.598 -6.675 -15.598 1.00 0.00 C ATOM 1123 CG ASP A 68 15.104 -6.464 -15.859 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.799 -7.440 -16.230 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.581 -5.309 -15.763 1.00 0.00 O ATOM 0 H ASP A 68 11.335 -7.457 -15.003 1.00 0.00 H new ATOM 0 HA ASP A 68 13.859 -8.644 -14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.111 -7.003 -16.516 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.140 -5.727 -15.315 1.00 0.00 H new ATOM 1130 N LYS A 69 13.261 -6.444 -12.369 1.00 0.00 N ATOM 1131 CA LYS A 69 13.738 -5.902 -11.085 1.00 0.00 C ATOM 1132 C LYS A 69 12.634 -5.917 -10.018 1.00 0.00 C ATOM 1133 O LYS A 69 12.633 -5.092 -9.099 1.00 0.00 O ATOM 1134 CB LYS A 69 14.314 -4.488 -11.273 1.00 0.00 C ATOM 1135 CG LYS A 69 15.560 -4.397 -12.163 1.00 0.00 C ATOM 1136 CD LYS A 69 16.808 -5.048 -11.547 1.00 0.00 C ATOM 1137 CE LYS A 69 18.017 -4.823 -12.467 1.00 0.00 C ATOM 1138 NZ LYS A 69 19.263 -5.428 -11.927 1.00 0.00 N ATOM 0 H LYS A 69 12.309 -6.157 -12.596 1.00 0.00 H new ATOM 0 HA LYS A 69 14.538 -6.550 -10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.538 -3.852 -11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.559 -4.081 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.348 -4.873 -13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.773 -3.348 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.004 -4.622 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.641 -6.116 -11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.807 -5.247 -13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.168 -3.753 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.049 -5.249 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.482 -5.006 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.131 -6.454 -11.817 1.00 0.00 H new ATOM 1152 N GLY A 70 11.659 -6.810 -10.139 1.00 0.00 N ATOM 1153 CA GLY A 70 10.501 -6.841 -9.260 1.00 0.00 C ATOM 1154 C GLY A 70 9.604 -8.018 -9.586 1.00 0.00 C ATOM 1155 O GLY A 70 9.970 -8.875 -10.384 1.00 0.00 O ATOM 0 H GLY A 70 11.652 -7.537 -10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.829 -6.905 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.939 -5.912 -9.360 1.00 0.00 H new ATOM 1159 N LEU A 71 8.414 -8.057 -8.993 1.00 0.00 N ATOM 1160 CA LEU A 71 7.396 -9.078 -9.232 1.00 0.00 C ATOM 1161 C LEU A 71 6.036 -8.401 -9.340 1.00 0.00 C ATOM 1162 O LEU A 71 5.777 -7.434 -8.628 1.00 0.00 O ATOM 1163 CB LEU A 71 7.355 -10.108 -8.088 1.00 0.00 C ATOM 1164 CG LEU A 71 8.677 -10.867 -7.866 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.341 -10.375 -6.576 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.452 -12.377 -7.818 1.00 0.00 C ATOM 0 H LEU A 71 8.122 -7.357 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 71 7.642 -9.602 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.085 -9.596 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.566 -10.831 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 71 9.338 -10.665 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.276 -10.913 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.545 -9.307 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.674 -10.554 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.405 -12.882 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.774 -12.618 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.017 -12.710 -8.760 1.00 0.00 H new ATOM 1178 N GLU A 72 5.150 -8.938 -10.178 1.00 0.00 N ATOM 1179 CA GLU A 72 3.716 -8.659 -10.094 1.00 0.00 C ATOM 1180 C GLU A 72 3.077 -9.800 -9.327 1.00 0.00 C ATOM 1181 O GLU A 72 3.246 -10.965 -9.699 1.00 0.00 O ATOM 1182 CB GLU A 72 2.991 -8.568 -11.448 1.00 0.00 C ATOM 1183 CG GLU A 72 3.110 -7.229 -12.181 1.00 0.00 C ATOM 1184 CD GLU A 72 2.203 -7.222 -13.425 1.00 0.00 C ATOM 1185 OE1 GLU A 72 0.980 -6.975 -13.292 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.707 -7.474 -14.546 1.00 0.00 O ATOM 0 H GLU A 72 5.404 -9.576 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 72 3.620 -7.683 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.378 -9.352 -12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.934 -8.780 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.830 -6.414 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.145 -7.058 -12.476 1.00 0.00 H new ATOM 1193 N ILE A 73 2.290 -9.453 -8.319 1.00 0.00 N ATOM 1194 CA ILE A 73 1.572 -10.362 -7.453 1.00 0.00 C ATOM 1195 C ILE A 73 0.087 -10.046 -7.681 1.00 0.00 C ATOM 1196 O ILE A 73 -0.323 -8.891 -7.587 1.00 0.00 O ATOM 1197 CB ILE A 73 1.961 -10.131 -5.970 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.445 -10.208 -5.527 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.224 -11.120 -5.049 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.415 -9.217 -6.173 1.00 0.00 C ATOM 0 H ILE A 73 2.130 -8.476 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 73 1.805 -11.404 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 73 1.678 -9.082 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.484 -10.065 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.807 -11.216 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.513 -10.938 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.148 -10.983 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.488 -12.141 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.417 -9.378 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.424 -9.368 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.096 -8.199 -5.951 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.725 -11.057 -7.967 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.184 -11.004 -7.998 1.00 0.00 C ATOM 1214 C ILE A 74 -2.642 -11.686 -6.699 1.00 0.00 C ATOM 1215 O ILE A 74 -2.025 -12.658 -6.257 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.710 -11.713 -9.276 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.495 -10.928 -10.593 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.224 -11.995 -9.196 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -1.041 -10.637 -10.973 1.00 0.00 C ATOM 0 H ILE A 74 -0.366 -11.984 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.577 -9.988 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.119 -12.628 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.957 -11.489 -11.406 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.027 -9.979 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.550 -12.491 -10.110 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.430 -12.638 -8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.764 -11.055 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.014 -10.083 -11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.572 -10.044 -10.188 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.501 -11.576 -11.090 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.735 -11.211 -6.106 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.295 -11.751 -4.875 1.00 0.00 C ATOM 1233 C VAL A 75 -5.817 -11.771 -5.042 1.00 0.00 C ATOM 1234 O VAL A 75 -6.390 -10.803 -5.545 1.00 0.00 O ATOM 1235 CB VAL A 75 -3.840 -10.937 -3.636 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -3.494 -11.889 -2.483 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -2.593 -10.057 -3.833 1.00 0.00 C ATOM 0 H VAL A 75 -4.265 -10.423 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.933 -12.763 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.688 -10.282 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.175 -11.310 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.373 -12.479 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.688 -12.555 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.366 -9.534 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.746 -10.684 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.782 -9.329 -4.622 1.00 0.00 H new ATOM 1247 N THR A 76 -6.473 -12.868 -4.665 1.00 0.00 N ATOM 1248 CA THR A 76 -7.853 -13.160 -5.050 1.00 0.00 C ATOM 1249 C THR A 76 -8.649 -13.629 -3.821 1.00 0.00 C ATOM 1250 O THR A 76 -8.087 -13.778 -2.728 1.00 0.00 O ATOM 1251 CB THR A 76 -7.885 -14.159 -6.239 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.787 -15.509 -5.875 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.753 -13.971 -7.260 1.00 0.00 C ATOM 0 H THR A 76 -6.055 -13.588 -4.076 1.00 0.00 H new ATOM 0 HA THR A 76 -8.343 -12.255 -5.409 1.00 0.00 H new ATOM 0 HB THR A 76 -8.861 -13.926 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.817 -16.068 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.853 -14.710 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.810 -12.970 -7.686 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.791 -14.100 -6.764 1.00 0.00 H new ATOM 1261 N LYS A 77 -9.956 -13.855 -3.995 1.00 0.00 N ATOM 1262 CA LYS A 77 -10.853 -14.459 -3.009 1.00 0.00 C ATOM 1263 C LYS A 77 -11.784 -15.441 -3.730 1.00 0.00 C ATOM 1264 O LYS A 77 -11.787 -15.503 -4.961 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.622 -13.376 -2.227 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.774 -12.793 -1.070 1.00 0.00 C ATOM 1267 CD LYS A 77 -10.282 -11.359 -1.286 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.472 -10.392 -1.399 1.00 0.00 C ATOM 1269 NZ LYS A 77 -11.068 -8.982 -1.609 1.00 0.00 N ATOM 0 H LYS A 77 -10.435 -13.612 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.278 -15.013 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.912 -12.574 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.542 -13.801 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.365 -12.824 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.909 -13.438 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.640 -11.060 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.677 -11.308 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.109 -10.707 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.072 -10.459 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.784 -8.498 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.986 -8.504 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.150 -8.953 -2.098 1.00 0.00 H new