USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -12.9! C(o=-15!,f=-17!) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= -1.89! USER MOD Set 2.1: A 6 ASN : amide:sc= -0.21 K(o=-0.34,f=-1.8!) USER MOD Set 2.2: A 9 GLN : amide:sc= -0.135 K(o=-0.34,f=-4.8!) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= -6.31! (180deg=-6.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 58:sc= 0.219 USER MOD Single : A 18 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.3!) USER MOD Single : A 40 CYS SG : rot 47:sc= -1.07! USER MOD Single : A 42 THR OG1 : rot -128:sc= 0.905 USER MOD Single : A 47 TYR OH : rot -40:sc= -2.05! USER MOD Single : A 55 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.5) USER MOD Single : A 58 GLN : amide:sc= -0.0704 K(o=-0.07,f=-2.1!) USER MOD Single : A 59 SER OG : rot 158:sc= -3.4! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.216 USER MOD Single : A 72 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.89) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 0.252 (180deg=0.00203) USER MOD Single : A 82 CYS SG : rot -132:sc= -1.23 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.695 4.989 9.552 1.00 0.00 N ATOM 26 CA LYS A 2 -3.453 5.522 8.942 1.00 0.00 C ATOM 27 C LYS A 2 -2.463 4.381 8.698 1.00 0.00 C ATOM 28 O LYS A 2 -2.338 3.467 9.488 1.00 0.00 O ATOM 29 CB LYS A 2 -2.863 6.596 9.875 1.00 0.00 C ATOM 30 CG LYS A 2 -1.672 6.063 10.689 1.00 0.00 C ATOM 31 CD LYS A 2 -0.769 7.233 11.099 1.00 0.00 C ATOM 32 CE LYS A 2 0.146 7.650 9.932 1.00 0.00 C ATOM 33 NZ LYS A 2 0.032 6.687 8.797 1.00 0.00 N ATOM 0 HA LYS A 2 -3.669 5.981 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.543 7.453 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.638 6.950 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.029 5.537 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.106 5.343 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.381 8.080 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.163 6.947 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.122 8.651 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.180 7.695 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.706 6.949 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.245 5.726 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.935 6.713 8.415 1.00 0.00 H new ATOM 47 N ALA A 3 -1.750 4.447 7.614 1.00 0.00 N ATOM 48 CA ALA A 3 -0.748 3.388 7.309 1.00 0.00 C ATOM 49 C ALA A 3 0.631 4.033 7.147 1.00 0.00 C ATOM 50 O ALA A 3 0.748 5.215 6.896 1.00 0.00 O ATOM 51 CB ALA A 3 -1.135 2.672 6.013 1.00 0.00 C ATOM 0 H ALA A 3 -1.816 5.192 6.920 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.721 2.664 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.400 1.898 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.119 2.217 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.162 3.391 5.194 1.00 0.00 H new ATOM 57 N VAL A 4 1.675 3.267 7.295 1.00 0.00 N ATOM 58 CA VAL A 4 3.045 3.837 7.155 1.00 0.00 C ATOM 59 C VAL A 4 3.942 2.839 6.423 1.00 0.00 C ATOM 60 O VAL A 4 4.270 1.792 6.944 1.00 0.00 O ATOM 61 CB VAL A 4 3.627 4.103 8.544 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.049 4.657 8.406 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.745 5.116 9.280 1.00 0.00 C ATOM 0 H VAL A 4 1.640 2.270 7.507 1.00 0.00 H new ATOM 0 HA VAL A 4 2.993 4.768 6.590 1.00 0.00 H new ATOM 0 HB VAL A 4 3.658 3.173 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.463 4.846 9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.673 3.932 7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.023 5.588 7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.159 5.307 10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.712 6.048 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.736 4.716 9.379 1.00 0.00 H new ATOM 73 N ILE A 5 4.354 3.153 5.225 1.00 0.00 N ATOM 74 CA ILE A 5 5.240 2.211 4.487 1.00 0.00 C ATOM 75 C ILE A 5 6.696 2.568 4.771 1.00 0.00 C ATOM 76 O ILE A 5 7.275 3.423 4.132 1.00 0.00 O ATOM 77 CB ILE A 5 4.976 2.300 2.986 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.459 2.157 2.740 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.767 1.189 2.281 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.161 1.106 1.661 1.00 0.00 C ATOM 0 H ILE A 5 4.118 4.013 4.730 1.00 0.00 H new ATOM 0 HA ILE A 5 5.035 1.193 4.819 1.00 0.00 H new ATOM 0 HB ILE A 5 5.300 3.261 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.963 1.877 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.046 3.119 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.588 1.240 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.831 1.319 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.444 0.218 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.084 1.031 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.636 1.401 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.552 0.139 1.977 1.00 0.00 H new ATOM 92 N ASN A 6 7.286 1.918 5.731 1.00 0.00 N ATOM 93 CA ASN A 6 8.702 2.212 6.072 1.00 0.00 C ATOM 94 C ASN A 6 9.624 1.432 5.129 1.00 0.00 C ATOM 95 O ASN A 6 9.774 0.232 5.244 1.00 0.00 O ATOM 96 CB ASN A 6 8.957 1.793 7.519 1.00 0.00 C ATOM 97 CG ASN A 6 8.762 2.999 8.440 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.072 4.115 8.073 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.257 2.820 9.631 1.00 0.00 N ATOM 0 H ASN A 6 6.846 1.192 6.297 1.00 0.00 H new ATOM 0 HA ASN A 6 8.902 3.278 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.275 0.991 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.969 1.402 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.123 3.617 10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.997 1.883 9.939 1.00 0.00 H new ATOM 106 N GLY A 7 10.234 2.106 4.192 1.00 0.00 N ATOM 107 CA GLY A 7 11.138 1.408 3.233 1.00 0.00 C ATOM 108 C GLY A 7 12.301 0.758 3.985 1.00 0.00 C ATOM 109 O GLY A 7 12.608 -0.401 3.787 1.00 0.00 O ATOM 0 H GLY A 7 10.145 3.112 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.581 0.649 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.520 2.118 2.499 1.00 0.00 H new ATOM 113 N GLU A 8 12.954 1.496 4.841 1.00 0.00 N ATOM 114 CA GLU A 8 14.101 0.921 5.600 1.00 0.00 C ATOM 115 C GLU A 8 13.747 -0.487 6.084 1.00 0.00 C ATOM 116 O GLU A 8 14.610 -1.318 6.287 1.00 0.00 O ATOM 117 CB GLU A 8 14.410 1.810 6.806 1.00 0.00 C ATOM 118 CG GLU A 8 15.508 2.809 6.437 1.00 0.00 C ATOM 119 CD GLU A 8 14.944 4.230 6.492 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.865 4.439 5.963 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.601 5.085 7.062 1.00 0.00 O ATOM 0 H GLU A 8 12.743 2.472 5.048 1.00 0.00 H new ATOM 0 HA GLU A 8 14.974 0.870 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.511 2.341 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.729 1.198 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.348 2.713 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.888 2.595 5.438 1.00 0.00 H new ATOM 128 N GLN A 9 12.486 -0.762 6.274 1.00 0.00 N ATOM 129 CA GLN A 9 12.084 -2.114 6.749 1.00 0.00 C ATOM 130 C GLN A 9 11.789 -3.020 5.553 1.00 0.00 C ATOM 131 O GLN A 9 12.227 -4.152 5.497 1.00 0.00 O ATOM 132 CB GLN A 9 10.829 -1.991 7.614 1.00 0.00 C ATOM 133 CG GLN A 9 11.138 -1.132 8.841 1.00 0.00 C ATOM 134 CD GLN A 9 9.919 -1.102 9.764 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.215 -0.115 9.828 1.00 0.00 O ATOM 136 NE2 GLN A 9 9.638 -2.152 10.488 1.00 0.00 N ATOM 0 H GLN A 9 11.718 -0.109 6.121 1.00 0.00 H new ATOM 0 HA GLN A 9 12.896 -2.547 7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.020 -1.543 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.490 -2.979 7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.000 -1.535 9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.399 -0.120 8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.229 -2.981 10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.827 -2.143 11.107 1.00 0.00 H new ATOM 145 N ILE A 10 11.039 -2.536 4.604 1.00 0.00 N ATOM 146 CA ILE A 10 10.702 -3.371 3.420 1.00 0.00 C ATOM 147 C ILE A 10 11.929 -4.144 2.947 1.00 0.00 C ATOM 148 O ILE A 10 12.986 -3.588 2.721 1.00 0.00 O ATOM 149 CB ILE A 10 10.201 -2.486 2.278 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.823 -1.938 2.631 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.096 -3.319 0.998 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.813 -3.080 2.640 1.00 0.00 C ATOM 0 H ILE A 10 10.644 -1.596 4.598 1.00 0.00 H new ATOM 0 HA ILE A 10 9.921 -4.074 3.710 1.00 0.00 H new ATOM 0 HB ILE A 10 10.897 -1.662 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.851 -1.454 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.525 -1.179 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.739 -2.690 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.077 -3.721 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.397 -4.141 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.826 -2.691 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.779 -3.544 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.110 -3.823 3.380 1.00 0.00 H new ATOM 164 N ARG A 11 11.781 -5.424 2.780 1.00 0.00 N ATOM 165 CA ARG A 11 12.906 -6.259 2.305 1.00 0.00 C ATOM 166 C ARG A 11 12.527 -6.865 0.950 1.00 0.00 C ATOM 167 O ARG A 11 13.314 -7.538 0.315 1.00 0.00 O ATOM 168 CB ARG A 11 13.154 -7.373 3.316 1.00 0.00 C ATOM 169 CG ARG A 11 13.864 -6.802 4.545 1.00 0.00 C ATOM 170 CD ARG A 11 15.372 -6.756 4.295 1.00 0.00 C ATOM 171 NE ARG A 11 16.086 -6.771 5.605 1.00 0.00 N ATOM 172 CZ ARG A 11 17.373 -6.994 5.657 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.995 -7.515 4.634 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.040 -6.693 6.737 1.00 0.00 N ATOM 0 H ARG A 11 10.914 -5.932 2.956 1.00 0.00 H new ATOM 0 HA ARG A 11 13.809 -5.659 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.208 -7.829 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.761 -8.158 2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.491 -5.801 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.649 -7.417 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.679 -7.609 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.633 -5.858 3.735 1.00 0.00 H new ATOM 0 HE ARG A 11 15.566 -6.606 6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.477 -7.751 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.999 -7.686 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.557 -6.285 7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.044 -6.866 6.781 1.00 0.00 H new ATOM 188 N SER A 12 11.318 -6.629 0.506 1.00 0.00 N ATOM 189 CA SER A 12 10.873 -7.185 -0.802 1.00 0.00 C ATOM 190 C SER A 12 9.426 -6.758 -1.068 1.00 0.00 C ATOM 191 O SER A 12 8.715 -6.324 -0.176 1.00 0.00 O ATOM 192 CB SER A 12 10.955 -8.711 -0.761 1.00 0.00 C ATOM 193 OG SER A 12 10.045 -9.204 0.214 1.00 0.00 O ATOM 0 H SER A 12 10.619 -6.072 0.998 1.00 0.00 H new ATOM 0 HA SER A 12 11.517 -6.809 -1.597 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.717 -9.126 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.970 -9.026 -0.520 1.00 0.00 H new ATOM 0 HG SER A 12 10.094 -10.182 0.242 1.00 0.00 H new ATOM 199 N ILE A 13 8.978 -6.878 -2.288 1.00 0.00 N ATOM 200 CA ILE A 13 7.578 -6.481 -2.598 1.00 0.00 C ATOM 201 C ILE A 13 6.650 -7.170 -1.598 1.00 0.00 C ATOM 202 O ILE A 13 5.783 -6.553 -1.010 1.00 0.00 O ATOM 203 CB ILE A 13 7.232 -6.904 -4.037 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.004 -6.139 -4.580 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.930 -8.404 -4.069 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.793 -4.802 -3.849 1.00 0.00 C ATOM 0 H ILE A 13 9.518 -7.232 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 13 7.459 -5.400 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 13 8.090 -6.669 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.134 -5.953 -5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.113 -6.757 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.685 -8.704 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.804 -8.959 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.086 -8.619 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.920 -4.296 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.636 -4.989 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.673 -4.172 -3.981 1.00 0.00 H new ATOM 218 N SER A 14 6.843 -8.444 -1.384 1.00 0.00 N ATOM 219 CA SER A 14 5.991 -9.165 -0.402 1.00 0.00 C ATOM 220 C SER A 14 5.989 -8.361 0.894 1.00 0.00 C ATOM 221 O SER A 14 4.967 -8.160 1.516 1.00 0.00 O ATOM 222 CB SER A 14 6.574 -10.553 -0.140 1.00 0.00 C ATOM 223 OG SER A 14 5.605 -11.351 0.527 1.00 0.00 O ATOM 0 H SER A 14 7.552 -9.013 -1.846 1.00 0.00 H new ATOM 0 HA SER A 14 4.977 -9.275 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.863 -11.022 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.476 -10.473 0.467 1.00 0.00 H new ATOM 0 HG SER A 14 4.794 -11.406 -0.020 1.00 0.00 H new ATOM 229 N ASP A 15 7.138 -7.885 1.290 1.00 0.00 N ATOM 230 CA ASP A 15 7.229 -7.073 2.526 1.00 0.00 C ATOM 231 C ASP A 15 6.286 -5.881 2.403 1.00 0.00 C ATOM 232 O ASP A 15 5.557 -5.548 3.316 1.00 0.00 O ATOM 233 CB ASP A 15 8.662 -6.569 2.691 1.00 0.00 C ATOM 234 CG ASP A 15 9.234 -7.073 4.017 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.161 -8.267 4.255 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.736 -6.256 4.771 1.00 0.00 O ATOM 0 H ASP A 15 8.022 -8.028 0.802 1.00 0.00 H new ATOM 0 HA ASP A 15 6.953 -7.677 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.278 -6.917 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.680 -5.479 2.666 1.00 0.00 H new ATOM 241 N LEU A 16 6.294 -5.241 1.267 1.00 0.00 N ATOM 242 CA LEU A 16 5.396 -4.073 1.059 1.00 0.00 C ATOM 243 C LEU A 16 3.961 -4.496 1.340 1.00 0.00 C ATOM 244 O LEU A 16 3.251 -3.880 2.110 1.00 0.00 O ATOM 245 CB LEU A 16 5.511 -3.605 -0.390 1.00 0.00 C ATOM 246 CG LEU A 16 4.836 -2.242 -0.547 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.587 -1.197 0.281 1.00 0.00 C ATOM 248 CD2 LEU A 16 4.858 -1.835 -2.022 1.00 0.00 C ATOM 0 H LEU A 16 6.886 -5.478 0.471 1.00 0.00 H new ATOM 0 HA LEU A 16 5.679 -3.261 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.560 -3.537 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.044 -4.332 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 16 3.805 -2.305 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.104 -0.227 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.575 -1.488 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.619 -1.131 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.378 -0.864 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.890 -1.773 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.322 -2.578 -2.612 1.00 0.00 H new ATOM 260 N HIS A 17 3.536 -5.553 0.718 1.00 0.00 N ATOM 261 CA HIS A 17 2.157 -6.048 0.930 1.00 0.00 C ATOM 262 C HIS A 17 2.024 -6.557 2.365 1.00 0.00 C ATOM 263 O HIS A 17 0.940 -6.694 2.892 1.00 0.00 O ATOM 264 CB HIS A 17 1.899 -7.180 -0.059 1.00 0.00 C ATOM 265 CG HIS A 17 2.303 -6.730 -1.435 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.674 -5.677 -2.082 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.274 -7.173 -2.299 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.268 -5.525 -3.280 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.248 -6.410 -3.462 1.00 0.00 N ATOM 0 H HIS A 17 4.094 -6.101 0.063 1.00 0.00 H new ATOM 0 HA HIS A 17 1.431 -5.251 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.464 -8.067 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.845 -7.457 -0.048 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.902 -5.119 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.954 -7.989 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.985 -4.777 -4.006 1.00 0.00 H new ATOM 277 N GLN A 18 3.124 -6.831 3.006 1.00 0.00 N ATOM 278 CA GLN A 18 3.065 -7.318 4.402 1.00 0.00 C ATOM 279 C GLN A 18 2.628 -6.170 5.309 1.00 0.00 C ATOM 280 O GLN A 18 1.664 -6.276 6.044 1.00 0.00 O ATOM 281 CB GLN A 18 4.445 -7.819 4.833 1.00 0.00 C ATOM 282 CG GLN A 18 4.294 -8.753 6.035 1.00 0.00 C ATOM 283 CD GLN A 18 5.647 -9.389 6.362 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.431 -9.667 5.477 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.956 -9.631 7.607 1.00 0.00 N ATOM 0 H GLN A 18 4.063 -6.737 2.618 1.00 0.00 H new ATOM 0 HA GLN A 18 2.351 -8.138 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.927 -8.344 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.086 -6.976 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.924 -8.197 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.559 -9.528 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.298 -9.398 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.856 -10.053 7.836 1.00 0.00 H new ATOM 294 N THR A 19 3.328 -5.068 5.265 1.00 0.00 N ATOM 295 CA THR A 19 2.950 -3.923 6.125 1.00 0.00 C ATOM 296 C THR A 19 1.584 -3.400 5.661 1.00 0.00 C ATOM 297 O THR A 19 0.759 -3.013 6.455 1.00 0.00 O ATOM 298 CB THR A 19 4.037 -2.826 6.042 1.00 0.00 C ATOM 299 OG1 THR A 19 4.612 -2.653 7.329 1.00 0.00 O ATOM 300 CG2 THR A 19 3.442 -1.484 5.597 1.00 0.00 C ATOM 0 H THR A 19 4.143 -4.917 4.670 1.00 0.00 H new ATOM 0 HA THR A 19 2.874 -4.231 7.168 1.00 0.00 H new ATOM 0 HB THR A 19 4.784 -3.139 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.304 -1.960 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.232 -0.734 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.987 -1.596 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.684 -1.167 6.313 1.00 0.00 H new ATOM 308 N LEU A 20 1.343 -3.390 4.378 1.00 0.00 N ATOM 309 CA LEU A 20 0.042 -2.906 3.868 1.00 0.00 C ATOM 310 C LEU A 20 -1.058 -3.831 4.380 1.00 0.00 C ATOM 311 O LEU A 20 -2.154 -3.421 4.671 1.00 0.00 O ATOM 312 CB LEU A 20 0.071 -2.946 2.345 1.00 0.00 C ATOM 313 CG LEU A 20 1.047 -1.889 1.822 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.137 -1.988 0.301 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.555 -0.495 2.218 1.00 0.00 C ATOM 0 H LEU A 20 2.000 -3.700 3.662 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.147 -1.887 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.373 -3.936 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.927 -2.762 1.947 1.00 0.00 H new ATOM 0 HG LEU A 20 2.033 -2.059 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.832 -1.236 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.492 -2.980 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.152 -1.819 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.251 0.256 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.431 -0.321 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.494 -0.426 3.304 1.00 0.00 H new ATOM 327 N LYS A 21 -0.752 -5.083 4.482 1.00 0.00 N ATOM 328 CA LYS A 21 -1.742 -6.082 4.971 1.00 0.00 C ATOM 329 C LYS A 21 -2.013 -5.848 6.455 1.00 0.00 C ATOM 330 O LYS A 21 -3.134 -5.919 6.908 1.00 0.00 O ATOM 331 CB LYS A 21 -1.173 -7.488 4.781 1.00 0.00 C ATOM 332 CG LYS A 21 -2.291 -8.519 4.944 1.00 0.00 C ATOM 333 CD LYS A 21 -1.900 -9.528 6.026 1.00 0.00 C ATOM 334 CE LYS A 21 -1.751 -10.916 5.401 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.888 -11.955 6.461 1.00 0.00 N ATOM 0 H LYS A 21 0.161 -5.471 4.243 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.671 -5.979 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.722 -7.578 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.384 -7.674 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.222 -8.022 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.467 -9.033 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.964 -9.227 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.658 -9.550 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.509 -11.064 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.780 -11.005 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.787 -12.899 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.149 -11.817 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.824 -11.874 6.907 1.00 0.00 H new ATOM 349 N LYS A 22 -0.994 -5.570 7.217 1.00 0.00 N ATOM 350 CA LYS A 22 -1.193 -5.329 8.666 1.00 0.00 C ATOM 351 C LYS A 22 -2.034 -4.070 8.841 1.00 0.00 C ATOM 352 O LYS A 22 -3.092 -4.080 9.438 1.00 0.00 O ATOM 353 CB LYS A 22 0.164 -5.114 9.326 1.00 0.00 C ATOM 354 CG LYS A 22 0.050 -5.357 10.832 1.00 0.00 C ATOM 355 CD LYS A 22 0.808 -6.633 11.203 1.00 0.00 C ATOM 356 CE LYS A 22 1.979 -6.283 12.123 1.00 0.00 C ATOM 357 NZ LYS A 22 1.768 -6.916 13.456 1.00 0.00 N ATOM 0 H LYS A 22 -0.029 -5.500 6.894 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.695 -6.183 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.901 -5.791 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.514 -4.099 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.457 -4.507 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.998 -5.448 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.138 -7.335 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.174 -7.126 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.915 -6.631 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.061 -5.201 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.563 -6.679 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.883 -6.563 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.711 -7.948 13.345 1.00 0.00 H new ATOM 371 N GLU A 23 -1.556 -2.989 8.304 1.00 0.00 N ATOM 372 CA GLU A 23 -2.280 -1.706 8.392 1.00 0.00 C ATOM 373 C GLU A 23 -3.685 -1.897 7.836 1.00 0.00 C ATOM 374 O GLU A 23 -4.673 -1.825 8.541 1.00 0.00 O ATOM 375 CB GLU A 23 -1.526 -0.686 7.541 1.00 0.00 C ATOM 376 CG GLU A 23 -0.123 -0.479 8.118 1.00 0.00 C ATOM 377 CD GLU A 23 0.776 0.164 7.062 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.266 0.515 6.011 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.961 0.291 7.323 1.00 0.00 O ATOM 0 H GLU A 23 -0.672 -2.944 7.796 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.345 -1.362 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.459 -1.034 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.067 0.260 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.173 0.155 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.296 -1.434 8.434 1.00 0.00 H new ATOM 386 N LEU A 24 -3.763 -2.152 6.567 1.00 0.00 N ATOM 387 CA LEU A 24 -5.071 -2.370 5.905 1.00 0.00 C ATOM 388 C LEU A 24 -5.772 -3.577 6.529 1.00 0.00 C ATOM 389 O LEU A 24 -6.939 -3.817 6.290 1.00 0.00 O ATOM 390 CB LEU A 24 -4.816 -2.653 4.426 1.00 0.00 C ATOM 391 CG LEU A 24 -4.120 -1.451 3.788 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.066 -1.947 2.797 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.152 -0.594 3.053 1.00 0.00 C ATOM 0 H LEU A 24 -2.957 -2.220 5.946 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.701 -1.488 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.198 -3.544 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.758 -2.854 3.916 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.640 -0.852 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.567 -1.093 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.332 -2.558 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.547 -2.544 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.656 0.263 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.633 -1.189 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.904 -0.244 3.760 1.00 0.00 H new ATOM 405 N ALA A 25 -5.071 -4.353 7.313 1.00 0.00 N ATOM 406 CA ALA A 25 -5.708 -5.546 7.923 1.00 0.00 C ATOM 407 C ALA A 25 -6.394 -6.354 6.820 1.00 0.00 C ATOM 408 O ALA A 25 -7.539 -6.745 6.936 1.00 0.00 O ATOM 409 CB ALA A 25 -6.730 -5.087 8.955 1.00 0.00 C ATOM 0 H ALA A 25 -4.090 -4.210 7.554 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.962 -6.170 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.204 -5.957 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.230 -4.502 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.488 -4.473 8.468 1.00 0.00 H new ATOM 415 N LEU A 26 -5.691 -6.599 5.748 1.00 0.00 N ATOM 416 CA LEU A 26 -6.276 -7.375 4.618 1.00 0.00 C ATOM 417 C LEU A 26 -6.606 -8.794 5.090 1.00 0.00 C ATOM 418 O LEU A 26 -6.107 -9.236 6.107 1.00 0.00 O ATOM 419 CB LEU A 26 -5.249 -7.428 3.484 1.00 0.00 C ATOM 420 CG LEU A 26 -4.802 -6.007 3.146 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.701 -6.054 2.093 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.993 -5.214 2.603 1.00 0.00 C ATOM 0 H LEU A 26 -4.729 -6.292 5.606 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.192 -6.899 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.391 -8.031 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.684 -7.904 2.605 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.422 -5.524 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.383 -5.039 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.852 -6.618 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.079 -6.538 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.675 -4.200 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.373 -5.699 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.780 -5.178 3.356 1.00 0.00 H new ATOM 434 N PRO A 27 -7.438 -9.470 4.337 1.00 0.00 N ATOM 435 CA PRO A 27 -7.848 -10.846 4.663 1.00 0.00 C ATOM 436 C PRO A 27 -6.627 -11.729 4.912 1.00 0.00 C ATOM 437 O PRO A 27 -5.504 -11.265 4.937 1.00 0.00 O ATOM 438 CB PRO A 27 -8.610 -11.326 3.427 1.00 0.00 C ATOM 439 CG PRO A 27 -8.834 -10.098 2.509 1.00 0.00 C ATOM 440 CD PRO A 27 -8.035 -8.926 3.101 1.00 0.00 C ATOM 0 HA PRO A 27 -8.454 -10.890 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.044 -12.097 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.564 -11.769 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.503 -10.313 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.894 -9.850 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.267 -8.580 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.680 -8.074 3.314 1.00 0.00 H new ATOM 448 N GLU A 28 -6.841 -13.002 5.094 1.00 0.00 N ATOM 449 CA GLU A 28 -5.699 -13.922 5.339 1.00 0.00 C ATOM 450 C GLU A 28 -5.103 -14.355 4.000 1.00 0.00 C ATOM 451 O GLU A 28 -3.955 -14.742 3.919 1.00 0.00 O ATOM 452 CB GLU A 28 -6.193 -15.156 6.094 1.00 0.00 C ATOM 453 CG GLU A 28 -6.489 -14.783 7.548 1.00 0.00 C ATOM 454 CD GLU A 28 -5.854 -15.817 8.480 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.637 -15.885 8.515 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.597 -16.523 9.142 1.00 0.00 O ATOM 0 H GLU A 28 -7.760 -13.445 5.083 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.940 -13.411 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.091 -15.550 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.441 -15.944 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.096 -13.790 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.566 -14.743 7.712 1.00 0.00 H new ATOM 463 N TYR A 29 -5.873 -14.294 2.947 1.00 0.00 N ATOM 464 CA TYR A 29 -5.334 -14.706 1.622 1.00 0.00 C ATOM 465 C TYR A 29 -4.841 -13.477 0.856 1.00 0.00 C ATOM 466 O TYR A 29 -4.694 -13.513 -0.350 1.00 0.00 O ATOM 467 CB TYR A 29 -6.413 -15.427 0.801 1.00 0.00 C ATOM 468 CG TYR A 29 -7.785 -14.887 1.135 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.057 -13.521 0.996 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.788 -15.759 1.575 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.333 -13.028 1.299 1.00 0.00 C ATOM 472 CE2 TYR A 29 -10.063 -15.266 1.876 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.335 -13.901 1.740 1.00 0.00 C ATOM 474 OH TYR A 29 -11.592 -13.414 2.037 1.00 0.00 O ATOM 0 H TYR A 29 -6.843 -13.979 2.947 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.502 -15.391 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.215 -15.298 -0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.378 -16.497 1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.284 -12.848 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.578 -16.813 1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.544 -11.974 1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.837 -15.940 2.213 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.168 -14.151 2.328 1.00 0.00 H new ATOM 484 N TYR A 30 -4.573 -12.393 1.543 1.00 0.00 N ATOM 485 CA TYR A 30 -4.074 -11.173 0.837 1.00 0.00 C ATOM 486 C TYR A 30 -3.030 -11.601 -0.198 1.00 0.00 C ATOM 487 O TYR A 30 -1.889 -11.859 0.127 1.00 0.00 O ATOM 488 CB TYR A 30 -3.432 -10.209 1.844 1.00 0.00 C ATOM 489 CG TYR A 30 -2.883 -9.000 1.115 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.531 -8.523 -0.030 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.725 -8.359 1.582 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.023 -7.409 -0.710 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.216 -7.240 0.900 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.867 -6.768 -0.246 1.00 0.00 C ATOM 495 OH TYR A 30 -1.370 -5.671 -0.918 1.00 0.00 O ATOM 0 H TYR A 30 -4.677 -12.301 2.553 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.905 -10.666 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.169 -9.896 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.632 -10.713 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.423 -9.014 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.225 -8.726 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.524 -7.043 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.325 -6.746 1.259 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.722 -5.205 -0.349 1.00 0.00 H new ATOM 505 N GLY A 31 -3.422 -11.699 -1.439 1.00 0.00 N ATOM 506 CA GLY A 31 -2.464 -12.134 -2.497 1.00 0.00 C ATOM 507 C GLY A 31 -1.244 -11.214 -2.516 1.00 0.00 C ATOM 508 O GLY A 31 -0.195 -11.579 -3.003 1.00 0.00 O ATOM 0 H GLY A 31 -4.366 -11.496 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.151 -13.162 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.955 -12.119 -3.470 1.00 0.00 H new ATOM 512 N GLU A 32 -1.377 -10.022 -1.997 1.00 0.00 N ATOM 513 CA GLU A 32 -0.227 -9.068 -1.985 1.00 0.00 C ATOM 514 C GLU A 32 -0.060 -8.434 -3.370 1.00 0.00 C ATOM 515 O GLU A 32 0.712 -7.517 -3.548 1.00 0.00 O ATOM 516 CB GLU A 32 1.067 -9.801 -1.607 1.00 0.00 C ATOM 517 CG GLU A 32 0.828 -10.667 -0.369 1.00 0.00 C ATOM 518 CD GLU A 32 2.096 -11.461 -0.049 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.882 -11.675 -0.958 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.259 -11.841 1.098 1.00 0.00 O ATOM 0 H GLU A 32 -2.236 -9.666 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.429 -8.291 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.400 -10.422 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.860 -9.080 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.555 -10.040 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.006 -11.347 -0.543 1.00 0.00 H new ATOM 527 N ASN A 33 -0.771 -8.911 -4.355 1.00 0.00 N ATOM 528 CA ASN A 33 -0.632 -8.321 -5.717 1.00 0.00 C ATOM 529 C ASN A 33 -1.473 -7.049 -5.827 1.00 0.00 C ATOM 530 O ASN A 33 -2.123 -6.635 -4.889 1.00 0.00 O ATOM 531 CB ASN A 33 -1.074 -9.330 -6.787 1.00 0.00 C ATOM 532 CG ASN A 33 -2.339 -10.077 -6.347 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.426 -9.749 -6.773 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.243 -11.085 -5.525 1.00 0.00 N ATOM 0 H ASN A 33 -1.438 -9.679 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 33 0.417 -8.072 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.262 -8.810 -7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.272 -10.044 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.080 -11.594 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.331 -11.364 -5.165 1.00 0.00 H new ATOM 541 N LEU A 34 -1.459 -6.426 -6.974 1.00 0.00 N ATOM 542 CA LEU A 34 -2.249 -5.177 -7.172 1.00 0.00 C ATOM 543 C LEU A 34 -3.725 -5.526 -7.300 1.00 0.00 C ATOM 544 O LEU A 34 -4.592 -4.820 -6.841 1.00 0.00 O ATOM 545 CB LEU A 34 -1.804 -4.517 -8.467 1.00 0.00 C ATOM 546 CG LEU A 34 -0.375 -4.000 -8.322 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.119 -3.480 -9.673 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.348 -2.866 -7.297 1.00 0.00 C ATOM 0 H LEU A 34 -0.929 -6.732 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.094 -4.509 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.860 -5.232 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.474 -3.694 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 34 0.274 -4.809 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.139 -3.111 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.098 -4.288 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.528 -2.670 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.671 -2.495 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.996 -2.056 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.700 -3.237 -6.335 1.00 0.00 H new ATOM 560 N ASP A 35 -4.001 -6.605 -7.948 1.00 0.00 N ATOM 561 CA ASP A 35 -5.407 -7.040 -8.145 1.00 0.00 C ATOM 562 C ASP A 35 -6.062 -7.315 -6.793 1.00 0.00 C ATOM 563 O ASP A 35 -7.227 -7.039 -6.583 1.00 0.00 O ATOM 564 CB ASP A 35 -5.394 -8.335 -8.943 1.00 0.00 C ATOM 565 CG ASP A 35 -4.993 -8.047 -10.391 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.852 -7.630 -11.150 1.00 0.00 O ATOM 567 OD2 ASP A 35 -3.835 -8.248 -10.715 1.00 0.00 O ATOM 0 H ASP A 35 -3.302 -7.222 -8.361 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.963 -6.260 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.695 -9.041 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.379 -8.800 -8.914 1.00 0.00 H new ATOM 572 N ALA A 36 -5.318 -7.867 -5.878 1.00 0.00 N ATOM 573 CA ALA A 36 -5.893 -8.177 -4.538 1.00 0.00 C ATOM 574 C ALA A 36 -5.888 -6.917 -3.699 1.00 0.00 C ATOM 575 O ALA A 36 -6.908 -6.467 -3.220 1.00 0.00 O ATOM 576 CB ALA A 36 -5.053 -9.241 -3.840 1.00 0.00 C ATOM 0 H ALA A 36 -4.337 -8.118 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.911 -8.548 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.482 -9.460 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.042 -10.149 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.034 -8.876 -3.715 1.00 0.00 H new ATOM 582 N LEU A 37 -4.738 -6.339 -3.534 1.00 0.00 N ATOM 583 CA LEU A 37 -4.638 -5.088 -2.743 1.00 0.00 C ATOM 584 C LEU A 37 -5.781 -4.175 -3.175 1.00 0.00 C ATOM 585 O LEU A 37 -6.561 -3.681 -2.378 1.00 0.00 O ATOM 586 CB LEU A 37 -3.300 -4.418 -3.054 1.00 0.00 C ATOM 587 CG LEU A 37 -3.359 -2.947 -2.647 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.530 -2.842 -1.130 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.066 -2.245 -3.067 1.00 0.00 C ATOM 0 H LEU A 37 -3.856 -6.681 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.700 -5.291 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.496 -4.922 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.077 -4.503 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.205 -2.469 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.572 -1.792 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.454 -3.338 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.686 -3.321 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.111 -1.196 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.217 -2.722 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.948 -2.317 -4.148 1.00 0.00 H new ATOM 601 N TRP A 38 -5.876 -3.969 -4.450 1.00 0.00 N ATOM 602 CA TRP A 38 -6.948 -3.123 -5.000 1.00 0.00 C ATOM 603 C TRP A 38 -8.277 -3.704 -4.583 1.00 0.00 C ATOM 604 O TRP A 38 -9.095 -3.054 -3.971 1.00 0.00 O ATOM 605 CB TRP A 38 -6.885 -3.137 -6.524 1.00 0.00 C ATOM 606 CG TRP A 38 -8.011 -2.316 -7.041 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.238 -2.785 -7.316 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.040 -0.897 -7.315 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.029 -1.737 -7.757 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.328 -0.546 -7.772 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.077 0.105 -7.213 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.644 0.770 -8.114 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.378 1.419 -7.547 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.662 1.762 -7.999 1.00 0.00 C ATOM 0 H TRP A 38 -5.241 -4.361 -5.145 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.831 -2.104 -4.633 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.932 -2.736 -6.869 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.955 -4.158 -6.898 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.557 -3.812 -7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.006 -1.832 -8.036 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.084 -0.143 -6.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.635 1.020 -8.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.619 2.182 -7.458 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.891 2.785 -8.257 1.00 0.00 H new ATOM 625 N ASP A 39 -8.485 -4.940 -4.913 1.00 0.00 N ATOM 626 CA ASP A 39 -9.756 -5.604 -4.542 1.00 0.00 C ATOM 627 C ASP A 39 -10.094 -5.231 -3.102 1.00 0.00 C ATOM 628 O ASP A 39 -11.241 -5.206 -2.702 1.00 0.00 O ATOM 629 CB ASP A 39 -9.593 -7.118 -4.657 1.00 0.00 C ATOM 630 CG ASP A 39 -10.061 -7.582 -6.038 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.647 -6.777 -6.744 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.826 -8.733 -6.365 1.00 0.00 O ATOM 0 H ASP A 39 -7.825 -5.523 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.557 -5.282 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.550 -7.394 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.172 -7.616 -3.879 1.00 0.00 H new ATOM 637 N CYS A 40 -9.091 -4.933 -2.322 1.00 0.00 N ATOM 638 CA CYS A 40 -9.328 -4.550 -0.908 1.00 0.00 C ATOM 639 C CYS A 40 -9.755 -3.079 -0.831 1.00 0.00 C ATOM 640 O CYS A 40 -10.734 -2.741 -0.196 1.00 0.00 O ATOM 641 CB CYS A 40 -8.035 -4.748 -0.121 1.00 0.00 C ATOM 642 SG CYS A 40 -7.368 -6.396 -0.461 1.00 0.00 S ATOM 0 H CYS A 40 -8.112 -4.940 -2.609 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.119 -5.171 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.307 -3.985 -0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.225 -4.634 0.946 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.385 -6.615 -1.742 1.00 0.00 H new ATOM 648 N LEU A 41 -9.022 -2.196 -1.457 1.00 0.00 N ATOM 649 CA LEU A 41 -9.379 -0.759 -1.400 1.00 0.00 C ATOM 650 C LEU A 41 -10.794 -0.527 -1.944 1.00 0.00 C ATOM 651 O LEU A 41 -11.600 0.147 -1.335 1.00 0.00 O ATOM 652 CB LEU A 41 -8.374 0.018 -2.244 1.00 0.00 C ATOM 653 CG LEU A 41 -6.963 -0.505 -1.968 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.946 0.460 -2.555 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.740 -0.625 -0.458 1.00 0.00 C ATOM 0 H LEU A 41 -8.190 -2.415 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.354 -0.421 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.612 -0.089 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.431 1.081 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.846 -1.487 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.939 0.091 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.101 0.542 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.068 1.441 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.734 -0.998 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.858 0.354 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.469 -1.317 -0.036 1.00 0.00 H new ATOM 667 N THR A 42 -11.090 -1.058 -3.097 1.00 0.00 N ATOM 668 CA THR A 42 -12.431 -0.849 -3.699 1.00 0.00 C ATOM 669 C THR A 42 -13.513 -1.571 -2.890 1.00 0.00 C ATOM 670 O THR A 42 -14.688 -1.445 -3.173 1.00 0.00 O ATOM 671 CB THR A 42 -12.426 -1.378 -5.134 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.708 -2.603 -5.185 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.757 -0.350 -6.047 1.00 0.00 C ATOM 0 H THR A 42 -10.454 -1.632 -3.650 1.00 0.00 H new ATOM 0 HA THR A 42 -12.654 0.218 -3.694 1.00 0.00 H new ATOM 0 HB THR A 42 -13.450 -1.548 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.029 -2.555 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.751 -0.723 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.310 0.588 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.732 -0.182 -5.716 1.00 0.00 H new ATOM 681 N GLY A 43 -13.144 -2.324 -1.889 1.00 0.00 N ATOM 682 CA GLY A 43 -14.190 -3.033 -1.092 1.00 0.00 C ATOM 683 C GLY A 43 -13.562 -3.794 0.080 1.00 0.00 C ATOM 684 O GLY A 43 -13.605 -5.007 0.133 1.00 0.00 O ATOM 0 H GLY A 43 -12.181 -2.479 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.916 -2.313 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.733 -3.728 -1.733 1.00 0.00 H new ATOM 688 N TRP A 44 -12.995 -3.097 1.027 1.00 0.00 N ATOM 689 CA TRP A 44 -12.387 -3.788 2.197 1.00 0.00 C ATOM 690 C TRP A 44 -11.757 -2.751 3.130 1.00 0.00 C ATOM 691 O TRP A 44 -12.195 -2.559 4.247 1.00 0.00 O ATOM 692 CB TRP A 44 -11.315 -4.762 1.713 1.00 0.00 C ATOM 693 CG TRP A 44 -10.778 -5.526 2.878 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.713 -5.150 3.620 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.255 -6.778 3.448 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.500 -6.095 4.607 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.427 -7.118 4.544 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.315 -7.645 3.124 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.642 -8.276 5.292 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.534 -8.812 3.875 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.700 -9.126 4.956 1.00 0.00 C ATOM 0 H TRP A 44 -12.927 -2.079 1.040 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.158 -4.339 2.736 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.736 -5.447 0.977 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.510 -4.218 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.124 -4.257 3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.751 -6.043 5.297 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.964 -7.412 2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.996 -8.514 6.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.350 -9.471 3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.874 -10.024 5.530 1.00 0.00 H new ATOM 712 N VAL A 45 -10.731 -2.083 2.682 1.00 0.00 N ATOM 713 CA VAL A 45 -10.071 -1.064 3.538 1.00 0.00 C ATOM 714 C VAL A 45 -11.085 0.014 3.934 1.00 0.00 C ATOM 715 O VAL A 45 -11.903 0.430 3.138 1.00 0.00 O ATOM 716 CB VAL A 45 -8.917 -0.425 2.764 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.092 0.452 3.706 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.025 -1.526 2.181 1.00 0.00 C ATOM 0 H VAL A 45 -10.321 -2.201 1.756 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.686 -1.541 4.440 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.317 0.188 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.270 0.907 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.726 1.235 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.691 -0.159 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.202 -1.073 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.626 -2.138 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.612 -2.152 1.509 1.00 0.00 H new ATOM 728 N GLU A 46 -11.039 0.471 5.158 1.00 0.00 N ATOM 729 CA GLU A 46 -12.002 1.522 5.599 1.00 0.00 C ATOM 730 C GLU A 46 -11.379 2.905 5.392 1.00 0.00 C ATOM 731 O GLU A 46 -10.238 3.142 5.734 1.00 0.00 O ATOM 732 CB GLU A 46 -12.337 1.326 7.079 1.00 0.00 C ATOM 733 CG GLU A 46 -11.071 1.494 7.919 1.00 0.00 C ATOM 734 CD GLU A 46 -11.120 0.536 9.111 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.139 -0.662 8.883 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.140 1.017 10.232 1.00 0.00 O ATOM 0 H GLU A 46 -10.377 0.162 5.870 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.916 1.444 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.091 2.049 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.762 0.335 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.189 1.291 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.987 2.523 8.269 1.00 0.00 H new ATOM 743 N TYR A 47 -12.125 3.815 4.827 1.00 0.00 N ATOM 744 CA TYR A 47 -11.592 5.187 4.577 1.00 0.00 C ATOM 745 C TYR A 47 -12.436 6.203 5.361 1.00 0.00 C ATOM 746 O TYR A 47 -13.463 5.841 5.899 1.00 0.00 O ATOM 747 CB TYR A 47 -11.674 5.453 3.068 1.00 0.00 C ATOM 748 CG TYR A 47 -10.677 4.573 2.341 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.608 3.984 3.031 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.822 4.343 0.971 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.697 3.172 2.354 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.907 3.533 0.296 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.844 2.947 0.987 1.00 0.00 C ATOM 754 OH TYR A 47 -7.945 2.141 0.322 1.00 0.00 O ATOM 0 H TYR A 47 -13.088 3.667 4.525 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.557 5.278 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.683 5.251 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.466 6.503 2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.489 4.159 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.643 4.793 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.877 2.718 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.021 3.359 -0.764 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.040 2.317 0.654 1.00 0.00 H new ATOM 764 N PRO A 48 -11.989 7.444 5.430 1.00 0.00 N ATOM 765 CA PRO A 48 -10.739 7.931 4.788 1.00 0.00 C ATOM 766 C PRO A 48 -9.498 7.204 5.312 1.00 0.00 C ATOM 767 O PRO A 48 -9.373 6.930 6.489 1.00 0.00 O ATOM 768 CB PRO A 48 -10.664 9.419 5.161 1.00 0.00 C ATOM 769 CG PRO A 48 -11.902 9.756 6.026 1.00 0.00 C ATOM 770 CD PRO A 48 -12.730 8.473 6.180 1.00 0.00 C ATOM 0 HA PRO A 48 -10.759 7.755 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.746 9.629 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.646 10.037 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.595 10.132 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.496 10.539 5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.836 8.196 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.736 8.603 5.781 1.00 0.00 H new ATOM 778 N LEU A 49 -8.572 6.904 4.438 1.00 0.00 N ATOM 779 CA LEU A 49 -7.326 6.208 4.868 1.00 0.00 C ATOM 780 C LEU A 49 -6.128 7.102 4.574 1.00 0.00 C ATOM 781 O LEU A 49 -6.150 7.920 3.678 1.00 0.00 O ATOM 782 CB LEU A 49 -7.172 4.895 4.075 1.00 0.00 C ATOM 783 CG LEU A 49 -5.693 4.476 3.971 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.192 3.986 5.333 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.552 3.356 2.937 1.00 0.00 C ATOM 0 H LEU A 49 -8.627 7.113 3.441 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.380 5.992 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.743 4.104 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.588 5.020 3.075 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.097 5.335 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.146 3.692 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.287 4.787 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.786 3.130 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.506 3.059 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.152 2.499 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.898 3.711 1.966 1.00 0.00 H new ATOM 797 N VAL A 50 -5.063 6.909 5.289 1.00 0.00 N ATOM 798 CA VAL A 50 -3.839 7.697 5.016 1.00 0.00 C ATOM 799 C VAL A 50 -2.748 6.709 4.594 1.00 0.00 C ATOM 800 O VAL A 50 -2.599 5.657 5.174 1.00 0.00 O ATOM 801 CB VAL A 50 -3.415 8.480 6.279 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.015 8.058 6.740 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.391 9.975 5.960 1.00 0.00 C ATOM 0 H VAL A 50 -4.987 6.237 6.053 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.014 8.427 4.226 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.131 8.266 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.739 8.623 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.014 6.993 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.295 8.257 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.092 10.532 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.679 10.164 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.385 10.296 5.647 1.00 0.00 H new ATOM 813 N LEU A 51 -1.970 7.042 3.618 1.00 0.00 N ATOM 814 CA LEU A 51 -0.883 6.121 3.213 1.00 0.00 C ATOM 815 C LEU A 51 0.427 6.877 3.348 1.00 0.00 C ATOM 816 O LEU A 51 0.937 7.441 2.400 1.00 0.00 O ATOM 817 CB LEU A 51 -1.071 5.639 1.772 1.00 0.00 C ATOM 818 CG LEU A 51 0.025 4.618 1.445 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.242 3.324 2.208 1.00 0.00 C ATOM 820 CD2 LEU A 51 0.030 4.308 -0.049 1.00 0.00 C ATOM 0 H LEU A 51 -2.036 7.908 3.083 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.890 5.236 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.056 5.187 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.020 6.482 1.083 1.00 0.00 H new ATOM 0 HG LEU A 51 0.989 5.037 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.537 2.598 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.242 3.527 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.212 2.922 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.813 3.582 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.937 3.897 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.218 5.224 -0.610 1.00 0.00 H new ATOM 832 N GLU A 52 0.962 6.905 4.532 1.00 0.00 N ATOM 833 CA GLU A 52 2.230 7.634 4.760 1.00 0.00 C ATOM 834 C GLU A 52 3.377 6.776 4.237 1.00 0.00 C ATOM 835 O GLU A 52 4.048 6.081 4.976 1.00 0.00 O ATOM 836 CB GLU A 52 2.394 7.891 6.259 1.00 0.00 C ATOM 837 CG GLU A 52 3.840 8.294 6.557 1.00 0.00 C ATOM 838 CD GLU A 52 3.857 9.352 7.662 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.369 9.062 8.741 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.359 10.435 7.410 1.00 0.00 O ATOM 0 H GLU A 52 0.571 6.450 5.357 1.00 0.00 H new ATOM 0 HA GLU A 52 2.227 8.591 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.713 8.679 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.132 6.995 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.416 7.421 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.313 8.686 5.656 1.00 0.00 H new ATOM 847 N TRP A 53 3.588 6.815 2.953 1.00 0.00 N ATOM 848 CA TRP A 53 4.671 6.008 2.342 1.00 0.00 C ATOM 849 C TRP A 53 6.018 6.674 2.622 1.00 0.00 C ATOM 850 O TRP A 53 6.361 7.675 2.025 1.00 0.00 O ATOM 851 CB TRP A 53 4.439 5.928 0.835 1.00 0.00 C ATOM 852 CG TRP A 53 5.046 4.674 0.310 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.346 4.332 0.445 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.410 3.589 -0.426 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.553 3.111 -0.165 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.390 2.613 -0.716 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.092 3.359 -0.869 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.080 1.454 -1.417 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.777 2.186 -1.579 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.771 1.237 -1.852 1.00 0.00 C ATOM 0 H TRP A 53 3.049 7.379 2.296 1.00 0.00 H new ATOM 0 HA TRP A 53 4.672 5.004 2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.371 5.947 0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.880 6.794 0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.101 4.918 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.455 2.636 -0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.321 4.086 -0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.848 0.724 -1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.765 2.016 -1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.525 0.338 -2.398 1.00 0.00 H new ATOM 871 N ARG A 54 6.782 6.133 3.529 1.00 0.00 N ATOM 872 CA ARG A 54 8.101 6.744 3.848 1.00 0.00 C ATOM 873 C ARG A 54 9.198 6.060 3.031 1.00 0.00 C ATOM 874 O ARG A 54 9.176 4.864 2.819 1.00 0.00 O ATOM 875 CB ARG A 54 8.395 6.575 5.340 1.00 0.00 C ATOM 876 CG ARG A 54 9.181 7.787 5.845 1.00 0.00 C ATOM 877 CD ARG A 54 9.608 7.552 7.295 1.00 0.00 C ATOM 878 NE ARG A 54 10.497 8.662 7.738 1.00 0.00 N ATOM 879 CZ ARG A 54 10.742 8.836 9.008 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.785 9.210 9.812 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.945 8.636 9.473 1.00 0.00 N ATOM 0 H ARG A 54 6.550 5.295 4.062 1.00 0.00 H new ATOM 0 HA ARG A 54 8.076 7.805 3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.463 6.475 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.966 5.662 5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.058 7.951 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.568 8.685 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.730 7.496 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.129 6.598 7.382 1.00 0.00 H new ATOM 0 HE ARG A 54 10.915 9.287 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.845 9.366 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.977 9.346 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.693 8.344 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.137 8.772 10.465 1.00 0.00 H new ATOM 895 N GLN A 55 10.162 6.814 2.578 1.00 0.00 N ATOM 896 CA GLN A 55 11.272 6.220 1.782 1.00 0.00 C ATOM 897 C GLN A 55 10.750 5.735 0.426 1.00 0.00 C ATOM 898 O GLN A 55 11.319 4.851 -0.183 1.00 0.00 O ATOM 899 CB GLN A 55 11.877 5.042 2.549 1.00 0.00 C ATOM 900 CG GLN A 55 13.210 5.468 3.167 1.00 0.00 C ATOM 901 CD GLN A 55 14.321 4.536 2.680 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.124 3.343 2.568 1.00 0.00 O ATOM 903 NE2 GLN A 55 15.490 5.035 2.383 1.00 0.00 N ATOM 0 H GLN A 55 10.228 7.821 2.726 1.00 0.00 H new ATOM 0 HA GLN A 55 12.035 6.980 1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.191 4.711 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.028 4.196 1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.438 6.498 2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.145 5.436 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.656 6.037 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.238 4.423 2.057 1.00 0.00 H new ATOM 912 N PHE A 56 9.682 6.308 -0.061 1.00 0.00 N ATOM 913 CA PHE A 56 9.150 5.872 -1.385 1.00 0.00 C ATOM 914 C PHE A 56 10.303 5.833 -2.387 1.00 0.00 C ATOM 915 O PHE A 56 11.242 6.597 -2.284 1.00 0.00 O ATOM 916 CB PHE A 56 8.096 6.863 -1.871 1.00 0.00 C ATOM 917 CG PHE A 56 7.343 6.260 -3.033 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.247 5.422 -2.797 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.744 6.535 -4.346 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.551 4.860 -3.873 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.048 5.972 -5.422 1.00 0.00 C ATOM 922 CZ PHE A 56 5.952 5.135 -5.186 1.00 0.00 C ATOM 0 H PHE A 56 9.158 7.054 0.397 1.00 0.00 H new ATOM 0 HA PHE A 56 8.697 4.885 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.407 7.104 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.570 7.796 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.938 5.209 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.590 7.181 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.705 4.214 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.357 6.184 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.415 4.701 -6.017 1.00 0.00 H new ATOM 932 N GLU A 57 10.241 4.945 -3.346 1.00 0.00 N ATOM 933 CA GLU A 57 11.338 4.835 -4.356 1.00 0.00 C ATOM 934 C GLU A 57 12.451 3.966 -3.775 1.00 0.00 C ATOM 935 O GLU A 57 12.942 3.056 -4.414 1.00 0.00 O ATOM 936 CB GLU A 57 11.892 6.220 -4.691 1.00 0.00 C ATOM 937 CG GLU A 57 12.113 6.332 -6.201 1.00 0.00 C ATOM 938 CD GLU A 57 11.017 7.205 -6.815 1.00 0.00 C ATOM 939 OE1 GLU A 57 10.741 8.254 -6.257 1.00 0.00 O ATOM 940 OE2 GLU A 57 10.473 6.809 -7.832 1.00 0.00 O ATOM 0 H GLU A 57 9.472 4.287 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 57 10.948 4.387 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.198 6.991 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.831 6.385 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.093 6.764 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.100 5.341 -6.655 1.00 0.00 H new ATOM 947 N GLN A 58 12.839 4.225 -2.556 1.00 0.00 N ATOM 948 CA GLN A 58 13.892 3.410 -1.919 1.00 0.00 C ATOM 949 C GLN A 58 13.327 2.010 -1.711 1.00 0.00 C ATOM 950 O GLN A 58 14.027 1.020 -1.780 1.00 0.00 O ATOM 951 CB GLN A 58 14.258 4.029 -0.571 1.00 0.00 C ATOM 952 CG GLN A 58 14.702 5.479 -0.777 1.00 0.00 C ATOM 953 CD GLN A 58 16.210 5.524 -1.027 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.845 4.499 -1.174 1.00 0.00 O ATOM 955 NE2 GLN A 58 16.814 6.680 -1.080 1.00 0.00 N ATOM 0 H GLN A 58 12.463 4.975 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 58 14.786 3.369 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.402 3.992 0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.058 3.456 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.170 5.916 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.451 6.075 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.280 7.540 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.820 6.723 -1.245 1.00 0.00 H new ATOM 964 N SER A 59 12.045 1.932 -1.476 1.00 0.00 N ATOM 965 CA SER A 59 11.395 0.612 -1.282 1.00 0.00 C ATOM 966 C SER A 59 10.769 0.175 -2.608 1.00 0.00 C ATOM 967 O SER A 59 10.088 -0.828 -2.683 1.00 0.00 O ATOM 968 CB SER A 59 10.307 0.727 -0.214 1.00 0.00 C ATOM 969 OG SER A 59 10.615 1.806 0.657 1.00 0.00 O ATOM 0 H SER A 59 11.419 2.734 -1.410 1.00 0.00 H new ATOM 0 HA SER A 59 12.133 -0.122 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.337 0.889 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.236 -0.202 0.351 1.00 0.00 H new ATOM 0 HG SER A 59 9.797 2.111 1.102 1.00 0.00 H new ATOM 975 N LYS A 60 11.008 0.913 -3.660 1.00 0.00 N ATOM 976 CA LYS A 60 10.441 0.530 -4.981 1.00 0.00 C ATOM 977 C LYS A 60 11.518 -0.192 -5.793 1.00 0.00 C ATOM 978 O LYS A 60 11.226 -0.979 -6.671 1.00 0.00 O ATOM 979 CB LYS A 60 9.998 1.787 -5.734 1.00 0.00 C ATOM 980 CG LYS A 60 9.587 1.410 -7.159 1.00 0.00 C ATOM 981 CD LYS A 60 9.120 2.662 -7.904 1.00 0.00 C ATOM 982 CE LYS A 60 10.316 3.579 -8.164 1.00 0.00 C ATOM 983 NZ LYS A 60 10.914 3.253 -9.490 1.00 0.00 N ATOM 0 H LYS A 60 11.571 1.763 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 60 9.582 -0.125 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.163 2.259 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.810 2.514 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.428 0.955 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.788 0.669 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.651 2.383 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.367 3.187 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.000 4.622 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.060 3.455 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.727 3.877 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.230 2.262 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.202 3.392 -10.235 1.00 0.00 H new ATOM 1083 N ALA A 67 6.840 -0.662 -5.062 1.00 0.00 N ATOM 1084 CA ALA A 67 5.990 0.377 -4.432 1.00 0.00 C ATOM 1085 C ALA A 67 5.240 1.180 -5.498 1.00 0.00 C ATOM 1086 O ALA A 67 4.197 1.743 -5.237 1.00 0.00 O ATOM 1087 CB ALA A 67 6.881 1.315 -3.622 1.00 0.00 C ATOM 0 HA ALA A 67 5.258 -0.104 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.268 2.085 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.402 0.747 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.610 1.785 -4.282 1.00 0.00 H new ATOM 1093 N GLU A 68 5.756 1.243 -6.692 1.00 0.00 N ATOM 1094 CA GLU A 68 5.070 2.009 -7.753 1.00 0.00 C ATOM 1095 C GLU A 68 3.743 1.318 -8.102 1.00 0.00 C ATOM 1096 O GLU A 68 2.821 1.933 -8.600 1.00 0.00 O ATOM 1097 CB GLU A 68 6.013 2.102 -8.971 1.00 0.00 C ATOM 1098 CG GLU A 68 5.411 1.405 -10.192 1.00 0.00 C ATOM 1099 CD GLU A 68 4.271 2.252 -10.761 1.00 0.00 C ATOM 1100 OE1 GLU A 68 3.991 3.293 -10.189 1.00 0.00 O ATOM 1101 OE2 GLU A 68 3.698 1.846 -11.758 1.00 0.00 O ATOM 0 H GLU A 68 6.627 0.793 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 68 4.834 3.020 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.206 3.149 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.973 1.648 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.178 1.254 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.040 0.419 -9.913 1.00 0.00 H new ATOM 1108 N SER A 69 3.649 0.042 -7.846 1.00 0.00 N ATOM 1109 CA SER A 69 2.395 -0.696 -8.164 1.00 0.00 C ATOM 1110 C SER A 69 1.351 -0.474 -7.061 1.00 0.00 C ATOM 1111 O SER A 69 0.273 0.042 -7.303 1.00 0.00 O ATOM 1112 CB SER A 69 2.708 -2.188 -8.276 1.00 0.00 C ATOM 1113 OG SER A 69 3.349 -2.440 -9.520 1.00 0.00 O ATOM 0 H SER A 69 4.389 -0.522 -7.429 1.00 0.00 H new ATOM 0 HA SER A 69 1.992 -0.327 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.351 -2.500 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.790 -2.771 -8.202 1.00 0.00 H new ATOM 0 HG SER A 69 3.553 -3.396 -9.595 1.00 0.00 H new ATOM 1119 N VAL A 70 1.656 -0.862 -5.850 1.00 0.00 N ATOM 1120 CA VAL A 70 0.676 -0.677 -4.747 1.00 0.00 C ATOM 1121 C VAL A 70 0.283 0.790 -4.680 1.00 0.00 C ATOM 1122 O VAL A 70 -0.872 1.125 -4.534 1.00 0.00 O ATOM 1123 CB VAL A 70 1.302 -1.095 -3.419 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.404 -0.639 -2.269 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.443 -2.616 -3.380 1.00 0.00 C ATOM 0 H VAL A 70 2.539 -1.297 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.204 -1.292 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 70 2.285 -0.635 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.849 -0.937 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.300 0.446 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.578 -1.101 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.890 -2.916 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.459 -3.075 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.080 -2.943 -4.201 1.00 0.00 H new ATOM 1135 N LEU A 71 1.236 1.667 -4.793 1.00 0.00 N ATOM 1136 CA LEU A 71 0.910 3.117 -4.747 1.00 0.00 C ATOM 1137 C LEU A 71 -0.024 3.439 -5.904 1.00 0.00 C ATOM 1138 O LEU A 71 -0.940 4.214 -5.773 1.00 0.00 O ATOM 1139 CB LEU A 71 2.180 3.937 -4.898 1.00 0.00 C ATOM 1140 CG LEU A 71 1.807 5.407 -5.099 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.128 5.940 -3.836 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.072 6.222 -5.380 1.00 0.00 C ATOM 0 H LEU A 71 2.224 1.445 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 71 0.438 3.356 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.807 3.826 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.761 3.577 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 71 1.123 5.494 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.863 6.987 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.226 5.361 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.811 5.852 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.806 7.269 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.757 6.134 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.556 5.844 -6.281 1.00 0.00 H new ATOM 1154 N GLN A 72 0.201 2.841 -7.040 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.687 3.102 -8.203 1.00 0.00 C ATOM 1156 C GLN A 72 -2.101 2.689 -7.820 1.00 0.00 C ATOM 1157 O GLN A 72 -3.076 3.281 -8.233 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.181 2.283 -9.412 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.237 1.280 -9.905 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.727 0.578 -11.164 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.241 1.217 -12.075 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -0.819 -0.721 -11.254 1.00 0.00 N ATOM 0 H GLN A 72 0.961 2.183 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.683 4.157 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.084 2.960 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.727 1.748 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.448 0.546 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.173 1.797 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.227 -1.258 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.483 -1.199 -12.090 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.201 1.659 -7.044 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.523 1.163 -6.620 1.00 0.00 C ATOM 1173 C VAL A 73 -4.085 2.059 -5.512 1.00 0.00 C ATOM 1174 O VAL A 73 -5.280 2.192 -5.357 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.342 -0.260 -6.113 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.602 -0.725 -5.384 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.035 -1.171 -7.310 1.00 0.00 C ATOM 0 H VAL A 73 -1.408 1.131 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.226 1.178 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.514 -0.302 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.460 -1.745 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.796 -0.067 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.450 -0.696 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.902 -2.196 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.862 -1.132 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.122 -0.833 -7.800 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.237 2.672 -4.736 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.739 3.554 -3.642 1.00 0.00 C ATOM 1189 C PHE A 74 -4.220 4.885 -4.234 1.00 0.00 C ATOM 1190 O PHE A 74 -5.201 5.456 -3.796 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.614 3.813 -2.635 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.673 2.779 -1.537 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.633 2.887 -0.524 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.767 1.712 -1.532 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.687 1.927 0.494 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.820 0.753 -0.514 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.780 0.861 0.499 1.00 0.00 C ATOM 0 H PHE A 74 -2.222 2.602 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.571 3.065 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.647 3.772 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.712 4.813 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.332 3.710 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.027 1.629 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.428 2.009 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.121 -0.070 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.821 0.121 1.285 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.543 5.375 -5.234 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.947 6.652 -5.870 1.00 0.00 C ATOM 1209 C ARG A 75 -5.086 6.371 -6.832 1.00 0.00 C ATOM 1210 O ARG A 75 -5.990 7.159 -6.990 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.769 7.221 -6.645 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.137 8.371 -5.860 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.495 9.360 -6.835 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.589 8.627 -7.763 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.173 9.200 -8.860 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.370 10.477 -9.046 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.441 8.496 -9.771 1.00 0.00 N ATOM 0 H ARG A 75 -2.717 4.937 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.262 7.367 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.029 6.441 -6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.101 7.575 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.894 8.875 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.387 7.985 -5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.267 9.882 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.935 10.117 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.293 7.676 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.849 11.028 -8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.045 10.924 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.596 7.498 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.766 8.943 -10.628 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.046 5.232 -7.462 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.130 4.854 -8.401 1.00 0.00 C ATOM 1233 C GLU A 76 -7.397 4.710 -7.575 1.00 0.00 C ATOM 1234 O GLU A 76 -8.432 5.256 -7.896 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.783 3.515 -9.035 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.054 3.726 -10.362 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.072 4.026 -11.463 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.895 4.903 -11.259 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.012 3.373 -12.492 1.00 0.00 O ATOM 0 H GLU A 76 -4.301 4.542 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.259 5.598 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.156 2.936 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.692 2.937 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.346 4.550 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.478 2.837 -10.618 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.303 3.996 -6.485 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.471 3.837 -5.599 1.00 0.00 C ATOM 1248 C ALA A 77 -8.825 5.226 -5.095 1.00 0.00 C ATOM 1249 O ALA A 77 -9.979 5.587 -4.980 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.119 2.923 -4.421 1.00 0.00 C ATOM 0 H ALA A 77 -6.457 3.516 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.309 3.385 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.989 2.813 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.820 1.944 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.298 3.361 -3.854 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.826 6.033 -4.837 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.105 7.420 -4.393 1.00 0.00 C ATOM 1258 C LYS A 78 -8.928 8.081 -5.490 1.00 0.00 C ATOM 1259 O LYS A 78 -9.775 8.918 -5.252 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.788 8.168 -4.252 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.781 8.966 -2.947 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.596 10.453 -3.256 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.914 11.036 -3.770 1.00 0.00 C ATOM 1264 NZ LYS A 78 -8.800 11.354 -2.614 1.00 0.00 N ATOM 0 H LYS A 78 -6.839 5.788 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.633 7.430 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.956 7.463 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.648 8.839 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.716 8.810 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.977 8.616 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.276 10.984 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.812 10.585 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.723 11.936 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.405 10.324 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.365 12.200 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.435 10.551 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.219 11.534 -1.770 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.661 7.686 -6.701 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.380 8.236 -7.869 1.00 0.00 C ATOM 1280 C ALA A 79 -10.802 7.682 -7.886 1.00 0.00 C ATOM 1281 O ALA A 79 -11.741 8.337 -8.293 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.645 7.793 -9.131 1.00 0.00 C ATOM 0 H ALA A 79 -7.955 6.986 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.419 9.324 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.158 8.187 -10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.623 8.170 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.629 6.704 -9.179 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.953 6.468 -7.443 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.287 5.822 -7.415 1.00 0.00 C ATOM 1290 C GLU A 80 -13.256 6.653 -6.568 1.00 0.00 C ATOM 1291 O GLU A 80 -14.452 6.439 -6.588 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.137 4.425 -6.809 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.782 3.429 -7.914 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.006 3.193 -8.801 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.020 3.825 -8.557 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.907 2.385 -9.709 1.00 0.00 O ATOM 0 H GLU A 80 -10.192 5.887 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.685 5.751 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.360 4.429 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.064 4.127 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.955 3.812 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.450 2.488 -7.477 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.750 7.590 -5.814 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.640 8.423 -4.958 1.00 0.00 C ATOM 1305 C GLY A 81 -13.271 8.192 -3.493 1.00 0.00 C ATOM 1306 O GLY A 81 -13.719 8.894 -2.608 1.00 0.00 O ATOM 0 H GLY A 81 -11.757 7.815 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.531 9.477 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.684 8.160 -5.130 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.453 7.209 -3.236 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.042 6.918 -1.839 1.00 0.00 C ATOM 1312 C CYS A 82 -11.224 8.089 -1.292 1.00 0.00 C ATOM 1313 O CYS A 82 -10.744 8.923 -2.034 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.188 5.654 -1.833 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.259 4.197 -1.917 1.00 0.00 S ATOM 0 H CYS A 82 -12.050 6.592 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.924 6.775 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.502 5.663 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.579 5.619 -0.930 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.899 3.341 -1.007 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.062 8.160 0.001 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.278 9.277 0.591 1.00 0.00 C ATOM 1323 C ASP A 83 -8.953 8.743 1.143 1.00 0.00 C ATOM 1324 O ASP A 83 -8.672 8.846 2.320 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.086 9.911 1.722 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.508 11.287 2.057 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.458 11.331 2.678 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.124 12.273 1.688 1.00 0.00 O ATOM 0 H ASP A 83 -11.439 7.492 0.673 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.070 10.023 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.131 10.006 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.061 9.270 2.604 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.135 8.178 0.297 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.824 7.645 0.766 1.00 0.00 C ATOM 1335 C ILE A 84 -5.755 8.732 0.605 1.00 0.00 C ATOM 1336 O ILE A 84 -5.080 8.803 -0.403 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.434 6.440 -0.081 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.368 5.281 0.221 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.997 6.031 0.238 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.869 4.712 -1.098 1.00 0.00 C ATOM 0 H ILE A 84 -8.318 8.062 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.903 7.349 1.812 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.510 6.703 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.847 4.513 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.206 5.618 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.721 5.169 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.325 6.860 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.918 5.771 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.542 3.877 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.402 5.487 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.022 4.364 -1.689 1.00 0.00 H new ATOM 1352 N THR A 85 -5.598 9.581 1.581 1.00 0.00 N ATOM 1353 CA THR A 85 -4.575 10.662 1.471 1.00 0.00 C ATOM 1354 C THR A 85 -3.201 10.040 1.203 1.00 0.00 C ATOM 1355 O THR A 85 -2.537 9.575 2.105 1.00 0.00 O ATOM 1356 CB THR A 85 -4.534 11.458 2.779 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.676 12.300 2.854 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.265 12.314 2.828 1.00 0.00 C ATOM 0 H THR A 85 -6.132 9.575 2.450 1.00 0.00 H new ATOM 0 HA THR A 85 -4.835 11.329 0.649 1.00 0.00 H new ATOM 0 HB THR A 85 -4.532 10.766 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.653 12.809 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.242 12.878 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.388 11.669 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.260 13.006 1.986 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.769 10.030 -0.029 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.438 9.435 -0.344 1.00 0.00 C ATOM 1368 C ILE A 86 -0.328 10.373 0.134 1.00 0.00 C ATOM 1369 O ILE A 86 -0.065 11.396 -0.465 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.306 9.228 -1.855 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.572 8.559 -2.394 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.099 8.333 -2.143 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.619 7.104 -1.925 1.00 0.00 C ATOM 0 H ILE A 86 -3.278 10.407 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.350 8.474 0.164 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.170 10.194 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.455 9.094 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.583 8.602 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.004 8.185 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.805 8.807 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.237 7.368 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.521 6.627 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.742 6.574 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.628 7.073 -0.835 1.00 0.00 H new ATOM 1385 N ILE A 87 0.333 10.027 1.205 1.00 0.00 N ATOM 1386 CA ILE A 87 1.433 10.894 1.712 1.00 0.00 C ATOM 1387 C ILE A 87 2.774 10.274 1.315 1.00 0.00 C ATOM 1388 O ILE A 87 3.278 9.382 1.969 1.00 0.00 O ATOM 1389 CB ILE A 87 1.335 11.007 3.236 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.200 11.967 3.598 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.652 11.545 3.801 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.127 11.837 5.086 1.00 0.00 C ATOM 0 H ILE A 87 0.159 9.182 1.750 1.00 0.00 H new ATOM 0 HA ILE A 87 1.352 11.892 1.280 1.00 0.00 H new ATOM 0 HB ILE A 87 1.136 10.023 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.490 12.992 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.684 11.743 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.577 11.624 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.464 10.866 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.854 12.529 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.936 12.522 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.435 10.814 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.756 12.082 5.675 1.00 0.00 H new ATOM 1404 N LEU A 88 3.346 10.732 0.237 1.00 0.00 N ATOM 1405 CA LEU A 88 4.645 10.167 -0.221 1.00 0.00 C ATOM 1406 C LEU A 88 5.804 10.946 0.403 1.00 0.00 C ATOM 1407 O LEU A 88 5.788 12.160 0.464 1.00 0.00 O ATOM 1408 CB LEU A 88 4.716 10.262 -1.743 1.00 0.00 C ATOM 1409 CG LEU A 88 3.513 9.542 -2.373 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.932 8.979 -3.722 1.00 0.00 C ATOM 1411 CD2 LEU A 88 3.043 8.381 -1.484 1.00 0.00 C ATOM 0 H LEU A 88 2.968 11.476 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 88 4.720 9.124 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.726 11.308 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.644 9.816 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 88 2.697 10.256 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.087 8.465 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.257 9.792 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.753 8.275 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.191 7.887 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.855 7.665 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.749 8.766 -0.508 1.00 0.00 H new ATOM 1423 N SER A 89 6.810 10.257 0.868 1.00 0.00 N ATOM 1424 CA SER A 89 7.970 10.956 1.489 1.00 0.00 C ATOM 1425 C SER A 89 9.257 10.194 1.168 1.00 0.00 C ATOM 1426 O SER A 89 9.383 9.729 0.046 1.00 0.00 O ATOM 1427 CB SER A 89 7.778 11.015 3.005 1.00 0.00 C ATOM 1428 OG SER A 89 6.710 11.902 3.309 1.00 0.00 O ATOM 1429 OXT SER A 89 10.095 10.087 2.048 1.00 0.00 O ATOM 0 H SER A 89 6.879 9.240 0.845 1.00 0.00 H new ATOM 0 HA SER A 89 8.038 11.969 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.562 10.020 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.695 11.354 3.486 1.00 0.00 H new ATOM 0 HG SER A 89 6.583 11.941 4.280 1.00 0.00 H new