USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 48 CYS SG : rot -171:sc= -0.272 USER MOD Set 1.2: A 86 CYS SG : rot 49:sc= 0.0149 USER MOD Set 2.1: A 79 THR OG1 : rot 43:sc= -0.0855 USER MOD Set 2.2: A 82 THR OG1 : rot 87:sc= 1.17 USER MOD Set 3.1: A 68 ASN : amide:sc= -3.78! K(o=-4.3!,f=-1.6) USER MOD Set 3.2: A 78 MET CE :methyl -153:sc= -0.514 (180deg=-2.19!) USER MOD Set 4.1: A 39 CYS SG : rot -150:sc= 0.505 USER MOD Set 4.2: A 45 CYS SG : rot -89:sc= -3.97! USER MOD Single : A 9 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 10 SER OG : rot -40:sc= 0.199 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 18 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.54) USER MOD Single : A 21 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.3!) USER MOD Single : A 22 SER OG : rot 136:sc= 1.44 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -30.7! C(o=-31!,f=-32!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.53! USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 64 ASN : amide:sc= -4.88! C(o=-4.9!,f=-23!) USER MOD Single : A 72 GLN : amide:sc= -0.0735 X(o=-0.073,f=-0.003) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -92:sc= 0.697 USER MOD Single : A 85 SER OG : rot 160:sc= -2.95! USER MOD Single : A 87 GLN : amide:sc=-0.000539 X(o=-0.00054,f=0) USER MOD Single : A 93 SER OG : rot -128:sc= 0.932 USER MOD Single : A 94 MET CE :methyl 178:sc= -7.12! (180deg=-7.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.162 13.954 -5.084 1.00 0.00 N ATOM 2 CA PRO A 1 4.657 14.016 -3.677 1.00 0.00 C ATOM 3 C PRO A 1 5.919 13.212 -3.462 1.00 0.00 C ATOM 4 O PRO A 1 6.612 12.831 -4.402 1.00 0.00 O ATOM 5 CB PRO A 1 3.561 13.436 -2.809 1.00 0.00 C ATOM 6 CG PRO A 1 2.368 13.588 -3.643 1.00 0.00 C ATOM 7 CD PRO A 1 2.855 13.262 -5.023 1.00 0.00 C ATOM 0 H2 PRO A 1 4.817 13.447 -5.680 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.062 14.889 -5.478 1.00 0.00 H new ATOM 0 HA PRO A 1 4.896 15.051 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.751 12.391 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.466 13.974 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.572 12.913 -3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.968 14.600 -3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.960 12.187 -5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.170 13.624 -5.789 1.00 0.00 H new ATOM 17 N ARG A 2 6.167 12.939 -2.193 1.00 0.00 N ATOM 18 CA ARG A 2 7.317 12.142 -1.768 1.00 0.00 C ATOM 19 C ARG A 2 6.793 10.888 -1.096 1.00 0.00 C ATOM 20 O ARG A 2 5.606 10.826 -0.778 1.00 0.00 O ATOM 21 CB ARG A 2 8.201 12.938 -0.803 1.00 0.00 C ATOM 22 CG ARG A 2 9.005 12.069 0.151 1.00 0.00 C ATOM 23 CD ARG A 2 10.015 12.893 0.933 1.00 0.00 C ATOM 24 NE ARG A 2 9.954 12.622 2.367 1.00 0.00 N ATOM 25 CZ ARG A 2 10.649 11.658 2.965 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.452 10.877 2.256 1.00 0.00 N ATOM 27 NH2 ARG A 2 10.541 11.476 4.274 1.00 0.00 N ATOM 0 H ARG A 2 5.580 13.261 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 2 7.929 11.880 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.887 13.558 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.573 13.613 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.330 11.565 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.524 11.292 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.019 12.678 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.831 13.953 0.757 1.00 0.00 H new ATOM 0 HE ARG A 2 9.345 13.204 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.538 11.014 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.983 10.139 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.925 12.075 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.074 10.737 4.732 1.00 0.00 H new ATOM 41 N VAL A 3 7.617 9.867 -0.893 1.00 0.00 N ATOM 42 CA VAL A 3 7.089 8.681 -0.285 1.00 0.00 C ATOM 43 C VAL A 3 8.161 7.783 0.287 1.00 0.00 C ATOM 44 O VAL A 3 9.346 7.917 -0.004 1.00 0.00 O ATOM 45 CB VAL A 3 6.215 7.959 -1.320 1.00 0.00 C ATOM 46 CG1 VAL A 3 6.314 6.466 -1.284 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.794 8.321 -1.113 1.00 0.00 C ATOM 0 H VAL A 3 8.608 9.845 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 3 6.482 8.964 0.575 1.00 0.00 H new ATOM 0 HB VAL A 3 6.590 8.286 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.664 6.040 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.344 6.165 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.006 6.104 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.177 7.807 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.485 8.025 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.673 9.398 -1.227 1.00 0.00 H new ATOM 57 N VAL A 4 7.725 6.855 1.109 1.00 0.00 N ATOM 58 CA VAL A 4 8.646 5.924 1.717 1.00 0.00 C ATOM 59 C VAL A 4 7.993 4.592 1.985 1.00 0.00 C ATOM 60 O VAL A 4 7.154 4.453 2.865 1.00 0.00 O ATOM 61 CB VAL A 4 9.284 6.475 3.004 1.00 0.00 C ATOM 62 CG1 VAL A 4 9.886 5.348 3.832 1.00 0.00 C ATOM 63 CG2 VAL A 4 10.348 7.490 2.638 1.00 0.00 C ATOM 0 H VAL A 4 6.747 6.726 1.370 1.00 0.00 H new ATOM 0 HA VAL A 4 9.447 5.778 0.993 1.00 0.00 H new ATOM 0 HB VAL A 4 8.514 6.958 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.332 5.760 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.105 4.638 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.653 4.838 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.803 7.884 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.113 7.011 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.894 8.307 2.077 1.00 0.00 H new ATOM 73 N PHE A 5 8.423 3.618 1.219 1.00 0.00 N ATOM 74 CA PHE A 5 7.930 2.261 1.329 1.00 0.00 C ATOM 75 C PHE A 5 8.775 1.492 2.337 1.00 0.00 C ATOM 76 O PHE A 5 9.793 1.993 2.815 1.00 0.00 O ATOM 77 CB PHE A 5 8.064 1.568 -0.011 1.00 0.00 C ATOM 78 CG PHE A 5 7.063 1.956 -1.068 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.495 3.231 -1.152 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.713 1.018 -2.019 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.604 3.533 -2.165 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.835 1.309 -3.023 1.00 0.00 C ATOM 83 CZ PHE A 5 5.273 2.569 -3.105 1.00 0.00 C ATOM 0 H PHE A 5 9.131 3.743 0.495 1.00 0.00 H new ATOM 0 HA PHE A 5 6.887 2.288 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.064 1.764 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.990 0.493 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.754 3.984 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.145 0.029 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.166 4.519 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.580 0.555 -3.753 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.578 2.802 -3.899 1.00 0.00 H new ATOM 93 N ILE A 6 8.365 0.273 2.634 1.00 0.00 N ATOM 94 CA ILE A 6 9.070 -0.582 3.553 1.00 0.00 C ATOM 95 C ILE A 6 8.836 -2.044 3.203 1.00 0.00 C ATOM 96 O ILE A 6 7.908 -2.370 2.462 1.00 0.00 O ATOM 97 CB ILE A 6 8.605 -0.348 4.982 1.00 0.00 C ATOM 98 CG1 ILE A 6 8.533 1.149 5.279 1.00 0.00 C ATOM 99 CG2 ILE A 6 9.549 -1.045 5.921 1.00 0.00 C ATOM 100 CD1 ILE A 6 9.882 1.805 5.353 1.00 0.00 C ATOM 0 H ILE A 6 7.525 -0.149 2.237 1.00 0.00 H new ATOM 0 HA ILE A 6 10.131 -0.344 3.473 1.00 0.00 H new ATOM 0 HB ILE A 6 7.604 -0.757 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.941 1.638 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.011 1.300 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.225 -0.884 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.554 -2.113 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.554 -0.644 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.759 2.867 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.469 1.341 6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.398 1.684 4.401 1.00 0.00 H new ATOM 112 N ASP A 7 9.674 -2.925 3.731 1.00 0.00 N ATOM 113 CA ASP A 7 9.536 -4.345 3.457 1.00 0.00 C ATOM 114 C ASP A 7 10.466 -5.173 4.336 1.00 0.00 C ATOM 115 O ASP A 7 11.022 -4.673 5.313 1.00 0.00 O ATOM 116 CB ASP A 7 9.814 -4.607 1.981 1.00 0.00 C ATOM 117 CG ASP A 7 9.010 -5.770 1.434 1.00 0.00 C ATOM 118 OD1 ASP A 7 8.828 -6.764 2.168 1.00 0.00 O ATOM 119 OD2 ASP A 7 8.565 -5.689 0.270 1.00 0.00 O ATOM 0 H ASP A 7 10.450 -2.683 4.347 1.00 0.00 H new ATOM 0 HA ASP A 7 8.515 -4.647 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.584 -3.709 1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.877 -4.809 1.845 1.00 0.00 H new ATOM 124 N GLU A 8 10.622 -6.445 3.986 1.00 0.00 N ATOM 125 CA GLU A 8 11.474 -7.349 4.746 1.00 0.00 C ATOM 126 C GLU A 8 12.731 -7.718 3.957 1.00 0.00 C ATOM 127 O GLU A 8 13.599 -8.431 4.460 1.00 0.00 O ATOM 128 CB GLU A 8 10.674 -8.604 5.135 1.00 0.00 C ATOM 129 CG GLU A 8 11.416 -9.921 4.952 1.00 0.00 C ATOM 130 CD GLU A 8 12.414 -10.189 6.062 1.00 0.00 C ATOM 131 OE1 GLU A 8 12.151 -9.768 7.209 1.00 0.00 O ATOM 132 OE2 GLU A 8 13.455 -10.819 5.786 1.00 0.00 O ATOM 0 H GLU A 8 10.168 -6.873 3.179 1.00 0.00 H new ATOM 0 HA GLU A 8 11.802 -6.844 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.373 -8.516 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.761 -8.633 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.695 -10.737 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.937 -9.910 3.995 1.00 0.00 H new ATOM 139 N GLN A 9 12.825 -7.229 2.726 1.00 0.00 N ATOM 140 CA GLN A 9 13.982 -7.513 1.883 1.00 0.00 C ATOM 141 C GLN A 9 15.069 -6.464 2.089 1.00 0.00 C ATOM 142 O GLN A 9 16.257 -6.784 2.118 1.00 0.00 O ATOM 143 CB GLN A 9 13.569 -7.558 0.411 1.00 0.00 C ATOM 144 CG GLN A 9 12.980 -8.893 -0.013 1.00 0.00 C ATOM 145 CD GLN A 9 12.735 -8.977 -1.506 1.00 0.00 C ATOM 146 OE1 GLN A 9 11.609 -9.201 -1.952 1.00 0.00 O ATOM 147 NE2 GLN A 9 13.791 -8.796 -2.290 1.00 0.00 N ATOM 0 H GLN A 9 12.118 -6.637 2.290 1.00 0.00 H new ATOM 0 HA GLN A 9 14.381 -8.486 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.838 -6.771 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.439 -7.340 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.655 -9.695 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.040 -9.055 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.706 -8.613 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.687 -8.840 -3.304 1.00 0.00 H new ATOM 156 N SER A 10 14.652 -5.212 2.237 1.00 0.00 N ATOM 157 CA SER A 10 15.587 -4.113 2.450 1.00 0.00 C ATOM 158 C SER A 10 15.184 -3.287 3.669 1.00 0.00 C ATOM 159 O SER A 10 15.870 -2.334 4.041 1.00 0.00 O ATOM 160 CB SER A 10 15.647 -3.220 1.209 1.00 0.00 C ATOM 161 OG SER A 10 16.761 -2.344 1.265 1.00 0.00 O ATOM 0 H SER A 10 13.671 -4.932 2.213 1.00 0.00 H new ATOM 0 HA SER A 10 16.575 -4.537 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.712 -3.839 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.728 -2.640 1.130 1.00 0.00 H new ATOM 0 HG SER A 10 16.868 -2.008 2.180 1.00 0.00 H new ATOM 167 N GLY A 11 14.069 -3.661 4.288 1.00 0.00 N ATOM 168 CA GLY A 11 13.591 -2.953 5.459 1.00 0.00 C ATOM 169 C GLY A 11 13.291 -1.496 5.180 1.00 0.00 C ATOM 170 O GLY A 11 13.207 -0.683 6.101 1.00 0.00 O ATOM 0 H GLY A 11 13.486 -4.446 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.689 -3.440 5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.338 -3.021 6.249 1.00 0.00 H new ATOM 174 N GLU A 12 13.122 -1.170 3.910 1.00 0.00 N ATOM 175 CA GLU A 12 12.819 0.197 3.505 1.00 0.00 C ATOM 176 C GLU A 12 12.917 0.365 2.002 1.00 0.00 C ATOM 177 O GLU A 12 13.761 -0.240 1.341 1.00 0.00 O ATOM 178 CB GLU A 12 13.749 1.192 4.195 1.00 0.00 C ATOM 179 CG GLU A 12 13.812 2.539 3.490 1.00 0.00 C ATOM 180 CD GLU A 12 14.692 3.539 4.215 1.00 0.00 C ATOM 181 OE1 GLU A 12 15.929 3.369 4.187 1.00 0.00 O ATOM 182 OE2 GLU A 12 14.144 4.492 4.806 1.00 0.00 O ATOM 0 H GLU A 12 13.189 -1.833 3.138 1.00 0.00 H new ATOM 0 HA GLU A 12 11.793 0.401 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.414 1.341 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.752 0.768 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.189 2.397 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.804 2.945 3.401 1.00 0.00 H new ATOM 189 N TYR A 13 12.034 1.196 1.476 1.00 0.00 N ATOM 190 CA TYR A 13 11.987 1.467 0.055 1.00 0.00 C ATOM 191 C TYR A 13 11.548 2.908 -0.202 1.00 0.00 C ATOM 192 O TYR A 13 10.558 3.163 -0.886 1.00 0.00 O ATOM 193 CB TYR A 13 11.053 0.466 -0.609 1.00 0.00 C ATOM 194 CG TYR A 13 11.657 -0.914 -0.679 1.00 0.00 C ATOM 195 CD1 TYR A 13 11.786 -1.695 0.464 1.00 0.00 C ATOM 196 CD2 TYR A 13 12.110 -1.428 -1.882 1.00 0.00 C ATOM 197 CE1 TYR A 13 12.354 -2.959 0.407 1.00 0.00 C ATOM 198 CE2 TYR A 13 12.682 -2.679 -1.956 1.00 0.00 C ATOM 199 CZ TYR A 13 12.804 -3.447 -0.810 1.00 0.00 C ATOM 200 OH TYR A 13 13.374 -4.697 -0.880 1.00 0.00 O ATOM 0 H TYR A 13 11.334 1.698 2.021 1.00 0.00 H new ATOM 0 HA TYR A 13 12.981 1.355 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.115 0.423 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.813 0.808 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.438 -1.311 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.013 -0.836 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.445 -3.557 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.034 -3.059 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 13 13.634 -4.887 -1.806 1.00 0.00 H new ATOM 210 N ALA A 14 12.307 3.841 0.369 1.00 0.00 N ATOM 211 CA ALA A 14 12.035 5.273 0.235 1.00 0.00 C ATOM 212 C ALA A 14 11.770 5.656 -1.208 1.00 0.00 C ATOM 213 O ALA A 14 12.375 5.105 -2.128 1.00 0.00 O ATOM 214 CB ALA A 14 13.194 6.084 0.792 1.00 0.00 C ATOM 0 H ALA A 14 13.127 3.628 0.937 1.00 0.00 H new ATOM 0 HA ALA A 14 11.136 5.497 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.978 7.147 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.332 5.845 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.104 5.842 0.243 1.00 0.00 H new ATOM 220 N VAL A 15 10.845 6.590 -1.406 1.00 0.00 N ATOM 221 CA VAL A 15 10.496 7.016 -2.745 1.00 0.00 C ATOM 222 C VAL A 15 9.648 8.273 -2.754 1.00 0.00 C ATOM 223 O VAL A 15 9.698 9.100 -1.847 1.00 0.00 O ATOM 224 CB VAL A 15 9.776 5.868 -3.479 1.00 0.00 C ATOM 225 CG1 VAL A 15 8.313 5.712 -3.041 1.00 0.00 C ATOM 226 CG2 VAL A 15 9.909 6.035 -4.988 1.00 0.00 C ATOM 0 H VAL A 15 10.331 7.059 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 15 11.421 7.263 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 15 10.269 4.938 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.855 4.889 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.274 5.502 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.770 6.634 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.395 5.216 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.464 6.983 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.964 6.025 -5.264 1.00 0.00 H new ATOM 236 N ASP A 16 8.895 8.409 -3.811 1.00 0.00 N ATOM 237 CA ASP A 16 8.028 9.523 -4.022 1.00 0.00 C ATOM 238 C ASP A 16 6.943 9.101 -4.968 1.00 0.00 C ATOM 239 O ASP A 16 7.044 8.073 -5.632 1.00 0.00 O ATOM 240 CB ASP A 16 8.763 10.675 -4.653 1.00 0.00 C ATOM 241 CG ASP A 16 10.194 10.805 -4.168 1.00 0.00 C ATOM 242 OD1 ASP A 16 10.391 11.184 -2.994 1.00 0.00 O ATOM 243 OD2 ASP A 16 11.117 10.528 -4.962 1.00 0.00 O ATOM 0 H ASP A 16 8.871 7.725 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 16 7.630 9.840 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.763 10.549 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.228 11.600 -4.440 1.00 0.00 H new ATOM 248 N ALA A 17 5.911 9.884 -5.022 1.00 0.00 N ATOM 249 CA ALA A 17 4.806 9.578 -5.881 1.00 0.00 C ATOM 250 C ALA A 17 4.198 10.833 -6.475 1.00 0.00 C ATOM 251 O ALA A 17 4.712 11.934 -6.286 1.00 0.00 O ATOM 252 CB ALA A 17 3.808 8.821 -5.062 1.00 0.00 C ATOM 0 H ALA A 17 5.809 10.742 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 17 5.139 8.977 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.947 8.567 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.266 7.907 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.483 9.437 -4.223 1.00 0.00 H new ATOM 258 N GLN A 18 3.099 10.660 -7.190 1.00 0.00 N ATOM 259 CA GLN A 18 2.408 11.784 -7.808 1.00 0.00 C ATOM 260 C GLN A 18 0.902 11.652 -7.639 1.00 0.00 C ATOM 261 O GLN A 18 0.343 10.567 -7.804 1.00 0.00 O ATOM 262 CB GLN A 18 2.758 11.882 -9.288 1.00 0.00 C ATOM 263 CG GLN A 18 4.238 11.722 -9.563 1.00 0.00 C ATOM 264 CD GLN A 18 5.050 12.914 -9.098 1.00 0.00 C ATOM 265 OE1 GLN A 18 4.690 14.063 -9.353 1.00 0.00 O ATOM 266 NE2 GLN A 18 6.153 12.643 -8.411 1.00 0.00 N ATOM 0 H GLN A 18 2.664 9.753 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 18 2.736 12.695 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.208 11.117 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.426 12.848 -9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.601 10.823 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.391 11.578 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.412 11.674 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.742 13.403 -8.071 1.00 0.00 H new ATOM 275 N ASP A 19 0.249 12.759 -7.313 1.00 0.00 N ATOM 276 CA ASP A 19 -1.195 12.756 -7.125 1.00 0.00 C ATOM 277 C ASP A 19 -1.870 11.950 -8.219 1.00 0.00 C ATOM 278 O ASP A 19 -1.941 12.371 -9.373 1.00 0.00 O ATOM 279 CB ASP A 19 -1.742 14.180 -7.078 1.00 0.00 C ATOM 280 CG ASP A 19 -0.968 15.066 -6.121 1.00 0.00 C ATOM 281 OD1 ASP A 19 -0.552 14.567 -5.054 1.00 0.00 O ATOM 282 OD2 ASP A 19 -0.778 16.259 -6.439 1.00 0.00 O ATOM 0 H ASP A 19 0.694 13.666 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.415 12.284 -6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.707 14.613 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.790 14.154 -6.778 1.00 0.00 H new ATOM 287 N GLY A 20 -2.357 10.775 -7.838 1.00 0.00 N ATOM 288 CA GLY A 20 -3.015 9.902 -8.781 1.00 0.00 C ATOM 289 C GLY A 20 -2.343 8.547 -8.884 1.00 0.00 C ATOM 290 O GLY A 20 -2.800 7.685 -9.635 1.00 0.00 O ATOM 0 H GLY A 20 -2.305 10.413 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.054 9.767 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.025 10.375 -9.763 1.00 0.00 H new ATOM 294 N GLN A 21 -1.263 8.339 -8.125 1.00 0.00 N ATOM 295 CA GLN A 21 -0.567 7.061 -8.157 1.00 0.00 C ATOM 296 C GLN A 21 -0.653 6.371 -6.810 1.00 0.00 C ATOM 297 O GLN A 21 -0.791 7.020 -5.777 1.00 0.00 O ATOM 298 CB GLN A 21 0.895 7.254 -8.541 1.00 0.00 C ATOM 299 CG GLN A 21 1.095 7.946 -9.878 1.00 0.00 C ATOM 300 CD GLN A 21 2.445 8.630 -9.995 1.00 0.00 C ATOM 301 OE1 GLN A 21 2.683 9.395 -10.929 1.00 0.00 O ATOM 302 NE2 GLN A 21 3.344 8.353 -9.054 1.00 0.00 N ATOM 0 H GLN A 21 -0.861 9.031 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.051 6.435 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.390 7.836 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.384 6.280 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.994 7.213 -10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.306 8.684 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.108 7.713 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.269 8.780 -9.091 1.00 0.00 H new ATOM 311 N SER A 22 -0.575 5.050 -6.826 1.00 0.00 N ATOM 312 CA SER A 22 -0.654 4.289 -5.595 1.00 0.00 C ATOM 313 C SER A 22 0.721 3.837 -5.129 1.00 0.00 C ATOM 314 O SER A 22 1.726 4.059 -5.804 1.00 0.00 O ATOM 315 CB SER A 22 -1.574 3.080 -5.769 1.00 0.00 C ATOM 316 OG SER A 22 -0.874 1.981 -6.326 1.00 0.00 O ATOM 0 H SER A 22 -0.458 4.489 -7.670 1.00 0.00 H new ATOM 0 HA SER A 22 -1.070 4.945 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.993 2.796 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.411 3.346 -6.414 1.00 0.00 H new ATOM 0 HG SER A 22 -1.117 1.162 -5.846 1.00 0.00 H new ATOM 322 N LEU A 23 0.750 3.198 -3.966 1.00 0.00 N ATOM 323 CA LEU A 23 1.997 2.707 -3.396 1.00 0.00 C ATOM 324 C LEU A 23 2.397 1.381 -4.031 1.00 0.00 C ATOM 325 O LEU A 23 3.390 0.767 -3.643 1.00 0.00 O ATOM 326 CB LEU A 23 1.854 2.555 -1.885 1.00 0.00 C ATOM 327 CG LEU A 23 1.499 3.848 -1.146 1.00 0.00 C ATOM 328 CD1 LEU A 23 2.075 5.053 -1.874 1.00 0.00 C ATOM 329 CD2 LEU A 23 -0.010 3.983 -1.005 1.00 0.00 C ATOM 0 H LEU A 23 -0.077 3.008 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 23 2.784 3.432 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.084 1.811 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.789 2.166 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 23 1.937 3.806 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.813 5.963 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.160 4.962 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.665 5.098 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.245 4.907 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.467 4.003 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.400 3.135 -0.442 1.00 0.00 H new ATOM 341 N MET A 24 1.627 0.960 -5.028 1.00 0.00 N ATOM 342 CA MET A 24 1.907 -0.277 -5.739 1.00 0.00 C ATOM 343 C MET A 24 2.753 0.025 -6.961 1.00 0.00 C ATOM 344 O MET A 24 3.627 -0.755 -7.341 1.00 0.00 O ATOM 345 CB MET A 24 0.605 -0.960 -6.163 1.00 0.00 C ATOM 346 CG MET A 24 0.716 -2.472 -6.265 1.00 0.00 C ATOM 347 SD MET A 24 -0.123 -3.133 -7.718 1.00 0.00 S ATOM 348 CE MET A 24 1.141 -2.918 -8.968 1.00 0.00 C ATOM 0 H MET A 24 0.803 1.460 -5.361 1.00 0.00 H new ATOM 0 HA MET A 24 2.449 -0.951 -5.076 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.177 -0.709 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.293 -0.561 -7.128 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.768 -2.754 -6.298 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.293 -2.925 -5.368 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.771 -3.282 -9.926 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.392 -1.861 -9.054 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.031 -3.480 -8.686 1.00 0.00 H new ATOM 358 N GLU A 25 2.488 1.177 -7.569 1.00 0.00 N ATOM 359 CA GLU A 25 3.224 1.603 -8.747 1.00 0.00 C ATOM 360 C GLU A 25 4.523 2.265 -8.362 1.00 0.00 C ATOM 361 O GLU A 25 5.548 2.025 -9.002 1.00 0.00 O ATOM 362 CB GLU A 25 2.380 2.536 -9.616 1.00 0.00 C ATOM 363 CG GLU A 25 2.105 3.885 -8.972 1.00 0.00 C ATOM 364 CD GLU A 25 3.284 4.832 -9.077 1.00 0.00 C ATOM 365 OE1 GLU A 25 4.067 4.701 -10.041 1.00 0.00 O ATOM 366 OE2 GLU A 25 3.425 5.706 -8.195 1.00 0.00 O ATOM 0 H GLU A 25 1.768 1.831 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 25 3.456 0.713 -9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.890 2.694 -10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.431 2.050 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.235 4.339 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.854 3.738 -7.921 1.00 0.00 H new ATOM 373 N VAL A 26 4.524 3.071 -7.307 1.00 0.00 N ATOM 374 CA VAL A 26 5.773 3.677 -6.907 1.00 0.00 C ATOM 375 C VAL A 26 6.811 2.581 -6.831 1.00 0.00 C ATOM 376 O VAL A 26 7.832 2.608 -7.507 1.00 0.00 O ATOM 377 CB VAL A 26 5.753 4.364 -5.536 1.00 0.00 C ATOM 378 CG1 VAL A 26 6.647 5.559 -5.573 1.00 0.00 C ATOM 379 CG2 VAL A 26 4.393 4.777 -5.087 1.00 0.00 C ATOM 0 H VAL A 26 3.710 3.309 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 26 5.984 4.449 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 26 6.105 3.627 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.637 6.051 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.664 5.246 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.294 6.254 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.462 5.255 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.970 5.479 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.751 3.899 -5.017 1.00 0.00 H new ATOM 389 N ALA A 27 6.506 1.606 -5.990 1.00 0.00 N ATOM 390 CA ALA A 27 7.370 0.466 -5.772 1.00 0.00 C ATOM 391 C ALA A 27 8.213 0.137 -6.990 1.00 0.00 C ATOM 392 O ALA A 27 9.424 0.352 -7.004 1.00 0.00 O ATOM 393 CB ALA A 27 6.548 -0.758 -5.402 1.00 0.00 C ATOM 0 H ALA A 27 5.648 1.587 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 27 8.040 0.735 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.212 -1.607 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.988 -0.558 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.854 -0.988 -6.210 1.00 0.00 H new ATOM 399 N THR A 28 7.561 -0.413 -8.001 1.00 0.00 N ATOM 400 CA THR A 28 8.252 -0.803 -9.219 1.00 0.00 C ATOM 401 C THR A 28 9.139 0.334 -9.706 1.00 0.00 C ATOM 402 O THR A 28 10.203 0.102 -10.283 1.00 0.00 O ATOM 403 CB THR A 28 7.259 -1.208 -10.314 1.00 0.00 C ATOM 404 OG1 THR A 28 7.104 -0.168 -11.262 1.00 0.00 O ATOM 405 CG2 THR A 28 5.880 -1.568 -9.800 1.00 0.00 C ATOM 0 H THR A 28 6.558 -0.599 -8.003 1.00 0.00 H new ATOM 0 HA THR A 28 8.875 -1.668 -8.993 1.00 0.00 H new ATOM 0 HB THR A 28 7.695 -2.100 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.468 -0.447 -11.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.239 -1.842 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.957 -2.409 -9.111 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.450 -0.712 -9.280 1.00 0.00 H new ATOM 413 N GLN A 29 8.706 1.563 -9.452 1.00 0.00 N ATOM 414 CA GLN A 29 9.481 2.735 -9.851 1.00 0.00 C ATOM 415 C GLN A 29 10.659 2.961 -8.905 1.00 0.00 C ATOM 416 O GLN A 29 11.710 3.455 -9.309 1.00 0.00 O ATOM 417 CB GLN A 29 8.596 3.983 -9.892 1.00 0.00 C ATOM 418 CG GLN A 29 7.523 3.936 -10.965 1.00 0.00 C ATOM 419 CD GLN A 29 7.731 4.984 -12.042 1.00 0.00 C ATOM 420 OE1 GLN A 29 7.223 6.101 -11.943 1.00 0.00 O ATOM 421 NE2 GLN A 29 8.483 4.627 -13.078 1.00 0.00 N ATOM 0 H GLN A 29 7.829 1.775 -8.975 1.00 0.00 H new ATOM 0 HA GLN A 29 9.871 2.549 -10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.120 4.112 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.225 4.858 -10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.514 2.947 -11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.546 4.083 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.884 3.690 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.659 5.290 -13.833 1.00 0.00 H new ATOM 430 N ASN A 30 10.463 2.604 -7.643 1.00 0.00 N ATOM 431 CA ASN A 30 11.493 2.771 -6.616 1.00 0.00 C ATOM 432 C ASN A 30 12.413 1.557 -6.544 1.00 0.00 C ATOM 433 O ASN A 30 13.266 1.467 -5.660 1.00 0.00 O ATOM 434 CB ASN A 30 10.826 2.969 -5.251 1.00 0.00 C ATOM 435 CG ASN A 30 9.363 3.336 -5.390 1.00 0.00 C ATOM 436 OD1 ASN A 30 9.000 4.053 -6.318 1.00 0.00 O ATOM 437 ND2 ASN A 30 8.528 2.872 -4.474 1.00 0.00 N ATOM 0 H ASN A 30 9.595 2.193 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 30 12.091 3.643 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.918 2.054 -4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.347 3.753 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.537 3.107 -4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.876 2.279 -3.721 1.00 0.00 H new ATOM 444 N GLY A 31 12.218 0.612 -7.455 1.00 0.00 N ATOM 445 CA GLY A 31 13.023 -0.598 -7.443 1.00 0.00 C ATOM 446 C GLY A 31 12.458 -1.620 -6.475 1.00 0.00 C ATOM 447 O GLY A 31 12.906 -2.765 -6.422 1.00 0.00 O ATOM 0 H GLY A 31 11.521 0.659 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.060 -1.024 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.048 -0.354 -7.162 1.00 0.00 H new ATOM 451 N VAL A 32 11.454 -1.186 -5.718 1.00 0.00 N ATOM 452 CA VAL A 32 10.775 -2.022 -4.742 1.00 0.00 C ATOM 453 C VAL A 32 10.362 -3.354 -5.373 1.00 0.00 C ATOM 454 O VAL A 32 10.294 -3.477 -6.595 1.00 0.00 O ATOM 455 CB VAL A 32 9.535 -1.271 -4.212 1.00 0.00 C ATOM 456 CG1 VAL A 32 9.000 -1.838 -2.919 1.00 0.00 C ATOM 457 CG2 VAL A 32 9.834 0.200 -4.017 1.00 0.00 C ATOM 0 H VAL A 32 11.088 -0.235 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 32 11.452 -2.236 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 32 8.767 -1.401 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.129 -1.264 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.713 -2.879 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.771 -1.781 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.944 0.706 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.645 0.314 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.129 0.641 -4.969 1.00 0.00 H new ATOM 467 N PRO A 33 10.105 -4.375 -4.542 1.00 0.00 N ATOM 468 CA PRO A 33 9.725 -5.717 -4.991 1.00 0.00 C ATOM 469 C PRO A 33 8.273 -5.789 -5.457 1.00 0.00 C ATOM 470 O PRO A 33 7.759 -6.870 -5.747 1.00 0.00 O ATOM 471 CB PRO A 33 9.949 -6.582 -3.730 1.00 0.00 C ATOM 472 CG PRO A 33 10.677 -5.686 -2.773 1.00 0.00 C ATOM 473 CD PRO A 33 10.187 -4.323 -3.090 1.00 0.00 C ATOM 0 HA PRO A 33 10.303 -6.044 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.002 -6.922 -3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.534 -7.473 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.463 -5.954 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.757 -5.760 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.220 -4.118 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.874 -3.550 -2.745 1.00 0.00 H new ATOM 481 N GLY A 34 7.622 -4.629 -5.536 1.00 0.00 N ATOM 482 CA GLY A 34 6.238 -4.573 -5.977 1.00 0.00 C ATOM 483 C GLY A 34 5.444 -5.802 -5.581 1.00 0.00 C ATOM 484 O GLY A 34 4.538 -6.220 -6.302 1.00 0.00 O ATOM 0 H GLY A 34 8.031 -3.724 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.763 -3.688 -5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.211 -4.463 -7.061 1.00 0.00 H new ATOM 488 N ILE A 35 5.780 -6.376 -4.432 1.00 0.00 N ATOM 489 CA ILE A 35 5.090 -7.559 -3.938 1.00 0.00 C ATOM 490 C ILE A 35 4.686 -8.485 -5.083 1.00 0.00 C ATOM 491 O ILE A 35 5.452 -9.363 -5.480 1.00 0.00 O ATOM 492 CB ILE A 35 3.844 -7.169 -3.125 1.00 0.00 C ATOM 493 CG1 ILE A 35 4.250 -6.367 -1.887 1.00 0.00 C ATOM 494 CG2 ILE A 35 3.056 -8.408 -2.729 1.00 0.00 C ATOM 495 CD1 ILE A 35 4.725 -4.965 -2.205 1.00 0.00 C ATOM 0 H ILE A 35 6.527 -6.040 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 35 5.785 -8.091 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 35 3.203 -6.544 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.400 -6.309 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.043 -6.900 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.178 -8.113 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.740 -8.941 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.684 -9.060 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.996 -4.454 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.594 -5.015 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.927 -4.415 -2.703 1.00 0.00 H new ATOM 507 N VAL A 36 3.480 -8.288 -5.612 1.00 0.00 N ATOM 508 CA VAL A 36 2.987 -9.112 -6.710 1.00 0.00 C ATOM 509 C VAL A 36 1.685 -8.557 -7.279 1.00 0.00 C ATOM 510 O VAL A 36 0.728 -8.314 -6.545 1.00 0.00 O ATOM 511 CB VAL A 36 2.755 -10.565 -6.259 1.00 0.00 C ATOM 512 CG1 VAL A 36 3.941 -11.438 -6.641 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.500 -10.622 -4.762 1.00 0.00 C ATOM 0 H VAL A 36 2.830 -7.568 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 36 3.754 -9.094 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 36 1.872 -10.950 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.759 -12.462 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.072 -11.420 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.842 -11.058 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.338 -11.657 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.362 -10.219 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.617 -10.031 -4.521 1.00 0.00 H new ATOM 523 N ALA A 37 1.659 -8.365 -8.595 1.00 0.00 N ATOM 524 CA ALA A 37 0.476 -7.844 -9.272 1.00 0.00 C ATOM 525 C ALA A 37 -0.162 -8.911 -10.154 1.00 0.00 C ATOM 526 O ALA A 37 0.402 -9.304 -11.175 1.00 0.00 O ATOM 527 CB ALA A 37 0.836 -6.620 -10.100 1.00 0.00 C ATOM 0 H ALA A 37 2.445 -8.563 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.249 -7.553 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.057 -6.243 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.242 -5.846 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.581 -6.893 -10.847 1.00 0.00 H new ATOM 533 N GLU A 38 -1.336 -9.382 -9.749 1.00 0.00 N ATOM 534 CA GLU A 38 -2.047 -10.411 -10.499 1.00 0.00 C ATOM 535 C GLU A 38 -3.082 -9.797 -11.440 1.00 0.00 C ATOM 536 O GLU A 38 -2.963 -9.902 -12.661 1.00 0.00 O ATOM 537 CB GLU A 38 -2.730 -11.384 -9.539 1.00 0.00 C ATOM 538 CG GLU A 38 -3.224 -12.656 -10.207 1.00 0.00 C ATOM 539 CD GLU A 38 -2.253 -13.188 -11.244 1.00 0.00 C ATOM 540 OE1 GLU A 38 -1.030 -13.107 -11.007 1.00 0.00 O ATOM 541 OE2 GLU A 38 -2.716 -13.684 -12.292 1.00 0.00 O ATOM 0 H GLU A 38 -1.816 -9.068 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.317 -10.950 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.031 -11.649 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.574 -10.882 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.392 -13.419 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.186 -12.462 -10.682 1.00 0.00 H new ATOM 548 N CYS A 39 -4.100 -9.165 -10.864 1.00 0.00 N ATOM 549 CA CYS A 39 -5.157 -8.545 -11.654 1.00 0.00 C ATOM 550 C CYS A 39 -4.594 -7.490 -12.604 1.00 0.00 C ATOM 551 O CYS A 39 -5.065 -7.347 -13.733 1.00 0.00 O ATOM 552 CB CYS A 39 -6.215 -7.931 -10.735 1.00 0.00 C ATOM 553 SG CYS A 39 -5.663 -6.438 -9.851 1.00 0.00 S ATOM 0 H CYS A 39 -4.215 -9.069 -9.855 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.625 -9.321 -12.260 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.095 -7.683 -11.328 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.523 -8.679 -10.004 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.283 -6.354 -8.711 1.00 0.00 H new ATOM 558 N GLY A 40 -3.575 -6.763 -12.153 1.00 0.00 N ATOM 559 CA GLY A 40 -2.962 -5.749 -12.993 1.00 0.00 C ATOM 560 C GLY A 40 -3.575 -4.370 -12.823 1.00 0.00 C ATOM 561 O GLY A 40 -3.566 -3.566 -13.754 1.00 0.00 O ATOM 0 H GLY A 40 -3.164 -6.858 -11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.897 -5.695 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.050 -6.051 -14.037 1.00 0.00 H new ATOM 565 N GLY A 41 -4.099 -4.088 -11.635 1.00 0.00 N ATOM 566 CA GLY A 41 -4.696 -2.787 -11.380 1.00 0.00 C ATOM 567 C GLY A 41 -6.134 -2.693 -11.857 1.00 0.00 C ATOM 568 O GLY A 41 -6.521 -1.715 -12.495 1.00 0.00 O ATOM 0 H GLY A 41 -4.122 -4.734 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.659 -2.579 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.103 -2.018 -11.875 1.00 0.00 H new ATOM 572 N SER A 42 -6.926 -3.709 -11.539 1.00 0.00 N ATOM 573 CA SER A 42 -8.329 -3.741 -11.927 1.00 0.00 C ATOM 574 C SER A 42 -9.186 -4.280 -10.785 1.00 0.00 C ATOM 575 O SER A 42 -10.285 -4.788 -11.003 1.00 0.00 O ATOM 576 CB SER A 42 -8.516 -4.604 -13.176 1.00 0.00 C ATOM 577 OG SER A 42 -7.779 -5.811 -13.078 1.00 0.00 O ATOM 0 H SER A 42 -6.618 -4.525 -11.011 1.00 0.00 H new ATOM 0 HA SER A 42 -8.647 -2.723 -12.152 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.574 -4.830 -13.310 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.194 -4.049 -14.057 1.00 0.00 H new ATOM 0 HG SER A 42 -7.917 -6.345 -13.888 1.00 0.00 H new ATOM 583 N CYS A 43 -8.667 -4.164 -9.565 1.00 0.00 N ATOM 584 CA CYS A 43 -9.373 -4.636 -8.379 1.00 0.00 C ATOM 585 C CYS A 43 -10.055 -5.974 -8.642 1.00 0.00 C ATOM 586 O CYS A 43 -11.279 -6.080 -8.588 1.00 0.00 O ATOM 587 CB CYS A 43 -10.409 -3.604 -7.926 1.00 0.00 C ATOM 588 SG CYS A 43 -10.863 -2.400 -9.196 1.00 0.00 S ATOM 0 H CYS A 43 -7.757 -3.746 -9.373 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.637 -4.774 -7.587 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.308 -4.127 -7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.019 -3.071 -7.059 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.745 -1.574 -8.716 1.00 0.00 H new ATOM 594 N VAL A 44 -9.252 -6.996 -8.926 1.00 0.00 N ATOM 595 CA VAL A 44 -9.781 -8.328 -9.194 1.00 0.00 C ATOM 596 C VAL A 44 -8.977 -9.404 -8.469 1.00 0.00 C ATOM 597 O VAL A 44 -9.230 -10.597 -8.637 1.00 0.00 O ATOM 598 CB VAL A 44 -9.786 -8.638 -10.702 1.00 0.00 C ATOM 599 CG1 VAL A 44 -10.720 -9.799 -11.006 1.00 0.00 C ATOM 600 CG2 VAL A 44 -10.181 -7.403 -11.499 1.00 0.00 C ATOM 0 H VAL A 44 -8.236 -6.927 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.806 -8.336 -8.823 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.778 -8.927 -10.999 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.710 -10.003 -12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.388 -10.685 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.733 -9.542 -10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.179 -7.641 -12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.179 -7.081 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.468 -6.601 -11.305 1.00 0.00 H new ATOM 610 N CYS A 45 -8.009 -8.978 -7.663 1.00 0.00 N ATOM 611 CA CYS A 45 -7.176 -9.912 -6.913 1.00 0.00 C ATOM 612 C CYS A 45 -6.913 -9.396 -5.500 1.00 0.00 C ATOM 613 O CYS A 45 -7.485 -8.388 -5.081 1.00 0.00 O ATOM 614 CB CYS A 45 -5.852 -10.158 -7.647 1.00 0.00 C ATOM 615 SG CYS A 45 -4.491 -9.039 -7.167 1.00 0.00 S ATOM 0 H CYS A 45 -7.783 -7.995 -7.513 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.713 -10.857 -6.835 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.539 -11.186 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.023 -10.060 -8.719 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.524 -7.973 -7.910 1.00 0.00 H new ATOM 620 N ALA A 46 -6.050 -10.094 -4.767 1.00 0.00 N ATOM 621 CA ALA A 46 -5.719 -9.704 -3.402 1.00 0.00 C ATOM 622 C ALA A 46 -4.267 -10.036 -3.067 1.00 0.00 C ATOM 623 O ALA A 46 -3.898 -10.140 -1.897 1.00 0.00 O ATOM 624 CB ALA A 46 -6.658 -10.385 -2.418 1.00 0.00 C ATOM 0 H ALA A 46 -5.569 -10.931 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.843 -8.624 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.400 -10.085 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.686 -10.092 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.562 -11.467 -2.513 1.00 0.00 H new ATOM 630 N THR A 47 -3.448 -10.201 -4.100 1.00 0.00 N ATOM 631 CA THR A 47 -2.037 -10.520 -3.915 1.00 0.00 C ATOM 632 C THR A 47 -1.230 -9.262 -3.609 1.00 0.00 C ATOM 633 O THR A 47 -0.123 -9.338 -3.076 1.00 0.00 O ATOM 634 CB THR A 47 -1.479 -11.212 -5.161 1.00 0.00 C ATOM 635 OG1 THR A 47 -0.159 -11.672 -4.932 1.00 0.00 O ATOM 636 CG2 THR A 47 -1.448 -10.317 -6.380 1.00 0.00 C ATOM 0 H THR A 47 -3.737 -10.119 -5.075 1.00 0.00 H new ATOM 0 HA THR A 47 -1.952 -11.198 -3.066 1.00 0.00 H new ATOM 0 HB THR A 47 -2.158 -12.042 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.179 -12.112 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.042 -10.870 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.460 -9.986 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.820 -9.449 -6.178 1.00 0.00 H new ATOM 644 N CYS A 48 -1.793 -8.105 -3.948 1.00 0.00 N ATOM 645 CA CYS A 48 -1.126 -6.830 -3.705 1.00 0.00 C ATOM 646 C CYS A 48 -1.291 -6.406 -2.250 1.00 0.00 C ATOM 647 O CYS A 48 -1.724 -5.290 -1.964 1.00 0.00 O ATOM 648 CB CYS A 48 -1.690 -5.750 -4.627 1.00 0.00 C ATOM 649 SG CYS A 48 -3.456 -5.389 -4.363 1.00 0.00 S ATOM 0 H CYS A 48 -2.708 -8.025 -4.391 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.064 -6.956 -3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.118 -4.833 -4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.545 -6.060 -5.662 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.884 -4.604 -5.307 1.00 0.00 H new ATOM 654 N ARG A 49 -0.948 -7.305 -1.337 1.00 0.00 N ATOM 655 CA ARG A 49 -1.063 -7.029 0.089 1.00 0.00 C ATOM 656 C ARG A 49 -0.010 -6.027 0.547 1.00 0.00 C ATOM 657 O ARG A 49 1.125 -6.396 0.845 1.00 0.00 O ATOM 658 CB ARG A 49 -0.927 -8.324 0.891 1.00 0.00 C ATOM 659 CG ARG A 49 -1.702 -8.311 2.197 1.00 0.00 C ATOM 660 CD ARG A 49 -1.733 -9.687 2.839 1.00 0.00 C ATOM 661 NE ARG A 49 -2.866 -9.841 3.745 1.00 0.00 N ATOM 662 CZ ARG A 49 -2.993 -10.847 4.603 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.061 -11.789 4.665 1.00 0.00 N ATOM 664 NH2 ARG A 49 -4.050 -10.914 5.399 1.00 0.00 N ATOM 0 H ARG A 49 -0.587 -8.233 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.047 -6.595 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.273 -9.158 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.127 -8.501 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.247 -7.598 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.721 -7.971 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.784 -10.449 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.805 -9.853 3.387 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.603 -9.136 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.246 -11.741 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.159 -12.561 5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.769 -10.192 5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.145 -11.688 6.057 1.00 0.00 H new ATOM 678 N ILE A 50 -0.399 -4.759 0.616 1.00 0.00 N ATOM 679 CA ILE A 50 0.502 -3.701 1.056 1.00 0.00 C ATOM 680 C ILE A 50 0.002 -3.093 2.357 1.00 0.00 C ATOM 681 O ILE A 50 -1.109 -3.389 2.797 1.00 0.00 O ATOM 682 CB ILE A 50 0.637 -2.591 -0.006 1.00 0.00 C ATOM 683 CG1 ILE A 50 1.846 -1.705 0.300 1.00 0.00 C ATOM 684 CG2 ILE A 50 -0.635 -1.757 -0.069 1.00 0.00 C ATOM 685 CD1 ILE A 50 2.617 -1.290 -0.934 1.00 0.00 C ATOM 0 H ILE A 50 -1.336 -4.438 0.372 1.00 0.00 H new ATOM 0 HA ILE A 50 1.483 -4.151 1.210 1.00 0.00 H new ATOM 0 HB ILE A 50 0.789 -3.059 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.508 -0.812 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.516 -2.238 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.523 -0.978 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.477 -2.397 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.817 -1.297 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.460 -0.664 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.985 -2.178 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.962 -0.729 -1.601 1.00 0.00 H new ATOM 697 N GLU A 51 0.819 -2.253 2.981 1.00 0.00 N ATOM 698 CA GLU A 51 0.430 -1.629 4.235 1.00 0.00 C ATOM 699 C GLU A 51 1.039 -0.240 4.398 1.00 0.00 C ATOM 700 O GLU A 51 2.255 -0.092 4.493 1.00 0.00 O ATOM 701 CB GLU A 51 0.849 -2.515 5.408 1.00 0.00 C ATOM 702 CG GLU A 51 -0.231 -3.481 5.862 1.00 0.00 C ATOM 703 CD GLU A 51 0.079 -4.107 7.207 1.00 0.00 C ATOM 704 OE1 GLU A 51 0.345 -3.352 8.166 1.00 0.00 O ATOM 705 OE2 GLU A 51 0.057 -5.353 7.302 1.00 0.00 O ATOM 0 H GLU A 51 1.745 -1.992 2.642 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.654 -1.516 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.735 -3.083 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.132 -1.880 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.184 -2.955 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.347 -4.268 5.117 1.00 0.00 H new ATOM 712 N ILE A 52 0.178 0.771 4.461 1.00 0.00 N ATOM 713 CA ILE A 52 0.616 2.146 4.650 1.00 0.00 C ATOM 714 C ILE A 52 1.192 2.296 6.043 1.00 0.00 C ATOM 715 O ILE A 52 0.685 1.680 6.980 1.00 0.00 O ATOM 716 CB ILE A 52 -0.574 3.112 4.521 1.00 0.00 C ATOM 717 CG1 ILE A 52 -1.137 3.072 3.108 1.00 0.00 C ATOM 718 CG2 ILE A 52 -0.162 4.526 4.898 1.00 0.00 C ATOM 719 CD1 ILE A 52 -0.380 3.956 2.156 1.00 0.00 C ATOM 0 H ILE A 52 -0.833 0.660 4.383 1.00 0.00 H new ATOM 0 HA ILE A 52 1.363 2.380 3.891 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.355 2.793 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.114 2.046 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.183 3.379 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.019 5.193 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.192 4.539 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.637 4.861 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.826 3.888 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.425 4.988 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.660 3.634 2.110 1.00 0.00 H new ATOM 731 N GLU A 53 2.234 3.105 6.220 1.00 0.00 N ATOM 732 CA GLU A 53 2.765 3.240 7.575 1.00 0.00 C ATOM 733 C GLU A 53 1.610 3.658 8.497 1.00 0.00 C ATOM 734 O GLU A 53 0.580 4.129 8.013 1.00 0.00 O ATOM 735 CB GLU A 53 3.961 4.207 7.634 1.00 0.00 C ATOM 736 CG GLU A 53 3.650 5.552 8.246 1.00 0.00 C ATOM 737 CD GLU A 53 4.041 5.634 9.709 1.00 0.00 C ATOM 738 OE1 GLU A 53 3.258 5.167 10.562 1.00 0.00 O ATOM 739 OE2 GLU A 53 5.131 6.168 10.002 1.00 0.00 O ATOM 0 H GLU A 53 2.704 3.646 5.494 1.00 0.00 H new ATOM 0 HA GLU A 53 3.165 2.285 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.763 3.739 8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.338 4.361 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.174 6.329 7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.583 5.754 8.147 1.00 0.00 H new ATOM 746 N ASP A 54 1.744 3.451 9.804 1.00 0.00 N ATOM 747 CA ASP A 54 0.656 3.778 10.742 1.00 0.00 C ATOM 748 C ASP A 54 0.533 5.273 11.040 1.00 0.00 C ATOM 749 O ASP A 54 -0.057 5.664 12.047 1.00 0.00 O ATOM 750 CB ASP A 54 0.835 3.004 12.049 1.00 0.00 C ATOM 751 CG ASP A 54 0.894 1.504 11.829 1.00 0.00 C ATOM 752 OD1 ASP A 54 0.874 1.075 10.657 1.00 0.00 O ATOM 753 OD2 ASP A 54 0.960 0.761 12.830 1.00 0.00 O ATOM 0 H ASP A 54 2.581 3.064 10.241 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.269 3.480 10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.751 3.333 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.010 3.238 12.722 1.00 0.00 H new ATOM 758 N ALA A 55 1.060 6.099 10.156 1.00 0.00 N ATOM 759 CA ALA A 55 0.985 7.542 10.304 1.00 0.00 C ATOM 760 C ALA A 55 0.110 8.135 9.223 1.00 0.00 C ATOM 761 O ALA A 55 -0.413 9.239 9.362 1.00 0.00 O ATOM 762 CB ALA A 55 2.370 8.159 10.203 1.00 0.00 C ATOM 0 H ALA A 55 1.551 5.791 9.317 1.00 0.00 H new ATOM 0 HA ALA A 55 0.559 7.758 11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.296 9.241 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.007 7.755 10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.803 7.925 9.230 1.00 0.00 H new ATOM 768 N TRP A 56 0.026 7.420 8.114 1.00 0.00 N ATOM 769 CA TRP A 56 -0.701 7.894 6.955 1.00 0.00 C ATOM 770 C TRP A 56 -2.015 7.215 6.715 1.00 0.00 C ATOM 771 O TRP A 56 -2.787 7.657 5.874 1.00 0.00 O ATOM 772 CB TRP A 56 0.176 7.709 5.752 1.00 0.00 C ATOM 773 CG TRP A 56 1.435 8.435 5.946 1.00 0.00 C ATOM 774 CD1 TRP A 56 2.409 8.120 6.832 1.00 0.00 C ATOM 775 CD2 TRP A 56 1.843 9.615 5.284 1.00 0.00 C ATOM 776 NE1 TRP A 56 3.401 9.049 6.793 1.00 0.00 N ATOM 777 CE2 TRP A 56 3.090 9.973 5.833 1.00 0.00 C ATOM 778 CE3 TRP A 56 1.284 10.408 4.274 1.00 0.00 C ATOM 779 CZ2 TRP A 56 3.789 11.086 5.413 1.00 0.00 C ATOM 780 CZ3 TRP A 56 1.991 11.519 3.850 1.00 0.00 C ATOM 781 CH2 TRP A 56 3.229 11.848 4.417 1.00 0.00 C ATOM 0 H TRP A 56 0.457 6.503 7.994 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.944 8.940 7.142 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.376 6.649 5.595 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.332 8.074 4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.399 7.254 7.478 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.235 9.056 7.380 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.328 10.159 3.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.741 11.348 5.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.582 12.143 3.069 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.756 12.722 4.062 1.00 0.00 H new ATOM 792 N VAL A 57 -2.298 6.167 7.428 1.00 0.00 N ATOM 793 CA VAL A 57 -3.554 5.500 7.229 1.00 0.00 C ATOM 794 C VAL A 57 -4.684 6.490 7.333 1.00 0.00 C ATOM 795 O VAL A 57 -5.611 6.496 6.523 1.00 0.00 O ATOM 796 CB VAL A 57 -3.769 4.422 8.259 1.00 0.00 C ATOM 797 CG1 VAL A 57 -4.964 3.604 7.856 1.00 0.00 C ATOM 798 CG2 VAL A 57 -2.511 3.609 8.381 1.00 0.00 C ATOM 0 H VAL A 57 -1.692 5.760 8.140 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.534 5.048 6.237 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.978 4.840 9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.133 2.819 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.843 4.246 7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.784 3.153 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.655 2.825 9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.275 3.157 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.689 4.255 8.689 1.00 0.00 H new ATOM 808 N GLU A 58 -4.579 7.346 8.332 1.00 0.00 N ATOM 809 CA GLU A 58 -5.577 8.374 8.541 1.00 0.00 C ATOM 810 C GLU A 58 -5.354 9.499 7.539 1.00 0.00 C ATOM 811 O GLU A 58 -6.130 10.452 7.463 1.00 0.00 O ATOM 812 CB GLU A 58 -5.517 8.908 9.973 1.00 0.00 C ATOM 813 CG GLU A 58 -4.914 7.924 10.962 1.00 0.00 C ATOM 814 CD GLU A 58 -5.626 7.933 12.300 1.00 0.00 C ATOM 815 OE1 GLU A 58 -6.774 7.444 12.364 1.00 0.00 O ATOM 816 OE2 GLU A 58 -5.038 8.429 13.283 1.00 0.00 O ATOM 0 H GLU A 58 -3.815 7.349 9.008 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.568 7.946 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.932 9.828 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.525 9.167 10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.954 6.920 10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.862 8.165 11.113 1.00 0.00 H new ATOM 823 N ILE A 59 -4.287 9.355 6.755 1.00 0.00 N ATOM 824 CA ILE A 59 -3.940 10.331 5.726 1.00 0.00 C ATOM 825 C ILE A 59 -4.383 9.819 4.373 1.00 0.00 C ATOM 826 O ILE A 59 -4.829 10.573 3.509 1.00 0.00 O ATOM 827 CB ILE A 59 -2.420 10.574 5.665 1.00 0.00 C ATOM 828 CG1 ILE A 59 -2.005 11.572 6.727 1.00 0.00 C ATOM 829 CG2 ILE A 59 -1.983 11.072 4.291 1.00 0.00 C ATOM 830 CD1 ILE A 59 -0.621 11.327 7.253 1.00 0.00 C ATOM 0 H ILE A 59 -3.644 8.565 6.815 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.442 11.265 5.978 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.928 9.619 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.057 12.579 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.714 11.531 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.905 11.232 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.242 10.330 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.489 12.011 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.382 12.074 8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.571 10.332 7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.097 11.396 6.435 1.00 0.00 H new ATOM 842 N VAL A 60 -4.216 8.522 4.202 1.00 0.00 N ATOM 843 CA VAL A 60 -4.551 7.864 2.965 1.00 0.00 C ATOM 844 C VAL A 60 -6.003 7.427 2.974 1.00 0.00 C ATOM 845 O VAL A 60 -6.707 7.541 1.971 1.00 0.00 O ATOM 846 CB VAL A 60 -3.626 6.664 2.754 1.00 0.00 C ATOM 847 CG1 VAL A 60 -3.859 6.046 1.390 1.00 0.00 C ATOM 848 CG2 VAL A 60 -2.168 7.089 2.937 1.00 0.00 C ATOM 0 H VAL A 60 -3.844 7.900 4.919 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.414 8.563 2.140 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.852 5.903 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.192 5.194 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.894 5.712 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.659 6.787 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.516 6.229 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.921 7.864 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.026 7.478 3.945 1.00 0.00 H new ATOM 858 N GLY A 61 -6.450 6.957 4.128 1.00 0.00 N ATOM 859 CA GLY A 61 -7.837 6.545 4.263 1.00 0.00 C ATOM 860 C GLY A 61 -8.112 5.153 3.729 1.00 0.00 C ATOM 861 O GLY A 61 -8.545 4.996 2.587 1.00 0.00 O ATOM 0 H GLY A 61 -5.884 6.853 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.118 6.583 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.472 7.258 3.738 1.00 0.00 H new ATOM 865 N GLU A 62 -7.863 4.142 4.552 1.00 0.00 N ATOM 866 CA GLU A 62 -8.090 2.770 4.153 1.00 0.00 C ATOM 867 C GLU A 62 -9.451 2.630 3.497 1.00 0.00 C ATOM 868 O GLU A 62 -10.389 3.368 3.798 1.00 0.00 O ATOM 869 CB GLU A 62 -7.999 1.842 5.364 1.00 0.00 C ATOM 870 CG GLU A 62 -6.659 1.141 5.492 1.00 0.00 C ATOM 871 CD GLU A 62 -6.653 0.089 6.586 1.00 0.00 C ATOM 872 OE1 GLU A 62 -6.758 0.467 7.772 1.00 0.00 O ATOM 873 OE2 GLU A 62 -6.542 -1.109 6.256 1.00 0.00 O ATOM 0 H GLU A 62 -7.503 4.253 5.500 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.321 2.489 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.185 2.420 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.787 1.092 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.406 0.672 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.885 1.880 5.699 1.00 0.00 H new ATOM 880 N ALA A 63 -9.530 1.683 2.589 1.00 0.00 N ATOM 881 CA ALA A 63 -10.752 1.417 1.842 1.00 0.00 C ATOM 882 C ALA A 63 -11.960 1.278 2.761 1.00 0.00 C ATOM 883 O ALA A 63 -11.823 1.041 3.961 1.00 0.00 O ATOM 884 CB ALA A 63 -10.592 0.165 0.997 1.00 0.00 C ATOM 0 H ALA A 63 -8.751 1.072 2.343 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.929 2.272 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.513 -0.021 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.769 0.302 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.379 -0.686 1.644 1.00 0.00 H new ATOM 890 N ASN A 64 -13.144 1.424 2.177 1.00 0.00 N ATOM 891 CA ASN A 64 -14.383 1.317 2.901 1.00 0.00 C ATOM 892 C ASN A 64 -14.679 -0.145 3.231 1.00 0.00 C ATOM 893 O ASN A 64 -13.858 -1.029 2.986 1.00 0.00 O ATOM 894 CB ASN A 64 -15.499 1.939 2.052 1.00 0.00 C ATOM 895 CG ASN A 64 -16.092 0.965 1.053 1.00 0.00 C ATOM 896 OD1 ASN A 64 -16.840 0.057 1.417 1.00 0.00 O ATOM 897 ND2 ASN A 64 -15.760 1.147 -0.220 1.00 0.00 N ATOM 0 H ASN A 64 -13.261 1.621 1.183 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.315 1.854 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.289 2.303 2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.104 2.804 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.128 0.522 -0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.137 1.912 -0.480 1.00 0.00 H new ATOM 904 N PRO A 65 -15.856 -0.406 3.800 1.00 0.00 N ATOM 905 CA PRO A 65 -16.284 -1.756 4.184 1.00 0.00 C ATOM 906 C PRO A 65 -16.232 -2.744 3.022 1.00 0.00 C ATOM 907 O PRO A 65 -16.313 -3.956 3.221 1.00 0.00 O ATOM 908 CB PRO A 65 -17.727 -1.552 4.656 1.00 0.00 C ATOM 909 CG PRO A 65 -17.809 -0.110 5.031 1.00 0.00 C ATOM 910 CD PRO A 65 -16.856 0.609 4.116 1.00 0.00 C ATOM 0 HA PRO A 65 -15.630 -2.187 4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.439 -1.796 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.959 -2.195 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.825 0.267 4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.534 0.038 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.358 0.971 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.409 1.475 4.603 1.00 0.00 H new ATOM 918 N ASP A 66 -16.090 -2.219 1.808 1.00 0.00 N ATOM 919 CA ASP A 66 -16.020 -3.056 0.618 1.00 0.00 C ATOM 920 C ASP A 66 -14.683 -3.784 0.553 1.00 0.00 C ATOM 921 O ASP A 66 -14.624 -4.964 0.210 1.00 0.00 O ATOM 922 CB ASP A 66 -16.214 -2.205 -0.639 1.00 0.00 C ATOM 923 CG ASP A 66 -17.634 -1.691 -0.777 1.00 0.00 C ATOM 924 OD1 ASP A 66 -18.457 -1.975 0.118 1.00 0.00 O ATOM 925 OD2 ASP A 66 -17.922 -1.006 -1.781 1.00 0.00 O ATOM 0 H ASP A 66 -16.021 -1.218 1.624 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.817 -3.797 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.526 -1.360 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.958 -2.797 -1.518 1.00 0.00 H new ATOM 930 N GLU A 67 -13.613 -3.075 0.894 1.00 0.00 N ATOM 931 CA GLU A 67 -12.278 -3.661 0.885 1.00 0.00 C ATOM 932 C GLU A 67 -12.099 -4.588 2.080 1.00 0.00 C ATOM 933 O GLU A 67 -11.787 -5.767 1.923 1.00 0.00 O ATOM 934 CB GLU A 67 -11.215 -2.564 0.908 1.00 0.00 C ATOM 935 CG GLU A 67 -9.788 -3.090 0.917 1.00 0.00 C ATOM 936 CD GLU A 67 -9.232 -3.242 2.320 1.00 0.00 C ATOM 937 OE1 GLU A 67 -9.580 -2.417 3.190 1.00 0.00 O ATOM 938 OE2 GLU A 67 -8.449 -4.188 2.548 1.00 0.00 O ATOM 0 H GLU A 67 -13.644 -2.096 1.179 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.162 -4.242 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.350 -1.922 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.368 -1.941 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.757 -4.055 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.151 -2.412 0.349 1.00 0.00 H new ATOM 945 N ASN A 68 -12.313 -4.046 3.275 1.00 0.00 N ATOM 946 CA ASN A 68 -12.188 -4.828 4.497 1.00 0.00 C ATOM 947 C ASN A 68 -12.989 -6.119 4.381 1.00 0.00 C ATOM 948 O ASN A 68 -12.583 -7.163 4.890 1.00 0.00 O ATOM 949 CB ASN A 68 -12.668 -4.018 5.702 1.00 0.00 C ATOM 950 CG ASN A 68 -12.643 -4.825 6.985 1.00 0.00 C ATOM 951 OD1 ASN A 68 -13.445 -4.596 7.892 1.00 0.00 O ATOM 952 ND2 ASN A 68 -11.719 -5.775 7.070 1.00 0.00 N ATOM 0 H ASN A 68 -12.573 -3.071 3.422 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.137 -5.077 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.038 -3.136 5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.682 -3.664 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.654 -6.349 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.075 -5.931 6.295 1.00 0.00 H new ATOM 959 N ASP A 69 -14.126 -6.039 3.696 1.00 0.00 N ATOM 960 CA ASP A 69 -14.982 -7.202 3.499 1.00 0.00 C ATOM 961 C ASP A 69 -14.329 -8.179 2.529 1.00 0.00 C ATOM 962 O ASP A 69 -14.385 -9.393 2.722 1.00 0.00 O ATOM 963 CB ASP A 69 -16.352 -6.772 2.970 1.00 0.00 C ATOM 964 CG ASP A 69 -17.305 -7.942 2.817 1.00 0.00 C ATOM 965 OD1 ASP A 69 -16.897 -9.082 3.121 1.00 0.00 O ATOM 966 OD2 ASP A 69 -18.458 -7.717 2.393 1.00 0.00 O ATOM 0 H ASP A 69 -14.475 -5.181 3.269 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.119 -7.698 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.787 -6.039 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.228 -6.279 2.006 1.00 0.00 H new ATOM 971 N LEU A 70 -13.700 -7.636 1.490 1.00 0.00 N ATOM 972 CA LEU A 70 -13.022 -8.453 0.492 1.00 0.00 C ATOM 973 C LEU A 70 -11.920 -9.282 1.141 1.00 0.00 C ATOM 974 O LEU A 70 -11.781 -10.475 0.867 1.00 0.00 O ATOM 975 CB LEU A 70 -12.429 -7.568 -0.607 1.00 0.00 C ATOM 976 CG LEU A 70 -12.775 -7.988 -2.035 1.00 0.00 C ATOM 977 CD1 LEU A 70 -12.676 -9.499 -2.185 1.00 0.00 C ATOM 978 CD2 LEU A 70 -14.166 -7.501 -2.409 1.00 0.00 C ATOM 0 H LEU A 70 -13.647 -6.632 1.319 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.753 -9.127 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.772 -6.545 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.344 -7.560 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.057 -7.530 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.926 -9.780 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.660 -9.821 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.371 -9.979 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.397 -7.808 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.898 -7.931 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.201 -6.414 -2.341 1.00 0.00 H new ATOM 990 N LEU A 71 -11.141 -8.640 2.005 1.00 0.00 N ATOM 991 CA LEU A 71 -10.053 -9.313 2.701 1.00 0.00 C ATOM 992 C LEU A 71 -10.588 -10.140 3.864 1.00 0.00 C ATOM 993 O LEU A 71 -10.070 -11.215 4.166 1.00 0.00 O ATOM 994 CB LEU A 71 -9.037 -8.291 3.214 1.00 0.00 C ATOM 995 CG LEU A 71 -7.913 -7.943 2.235 1.00 0.00 C ATOM 996 CD1 LEU A 71 -8.481 -7.615 0.863 1.00 0.00 C ATOM 997 CD2 LEU A 71 -7.090 -6.780 2.767 1.00 0.00 C ATOM 0 H LEU A 71 -11.244 -7.653 2.240 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.560 -9.981 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.567 -7.375 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.592 -8.674 4.132 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.260 -8.810 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.667 -7.370 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.028 -8.477 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.156 -6.763 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.295 -6.544 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.732 -5.909 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.653 -7.053 3.727 1.00 0.00 H new ATOM 1009 N GLN A 72 -11.633 -9.632 4.512 1.00 0.00 N ATOM 1010 CA GLN A 72 -12.244 -10.324 5.640 1.00 0.00 C ATOM 1011 C GLN A 72 -12.796 -11.679 5.209 1.00 0.00 C ATOM 1012 O GLN A 72 -12.964 -12.582 6.028 1.00 0.00 O ATOM 1013 CB GLN A 72 -13.365 -9.473 6.242 1.00 0.00 C ATOM 1014 CG GLN A 72 -12.881 -8.484 7.290 1.00 0.00 C ATOM 1015 CD GLN A 72 -13.379 -8.821 8.683 1.00 0.00 C ATOM 1016 OE1 GLN A 72 -12.590 -8.990 9.612 1.00 0.00 O ATOM 1017 NE2 GLN A 72 -14.694 -8.917 8.834 1.00 0.00 N ATOM 0 H GLN A 72 -12.073 -8.743 4.274 1.00 0.00 H new ATOM 0 HA GLN A 72 -11.475 -10.486 6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.865 -8.927 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.108 -10.131 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.791 -8.466 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.215 -7.482 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.311 -8.769 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -15.087 -9.139 9.749 1.00 0.00 H new ATOM 1026 N SER A 73 -13.074 -11.812 3.916 1.00 0.00 N ATOM 1027 CA SER A 73 -13.605 -13.056 3.371 1.00 0.00 C ATOM 1028 C SER A 73 -12.564 -14.167 3.449 1.00 0.00 C ATOM 1029 O SER A 73 -12.896 -15.328 3.685 1.00 0.00 O ATOM 1030 CB SER A 73 -14.043 -12.854 1.920 1.00 0.00 C ATOM 1031 OG SER A 73 -13.713 -13.980 1.126 1.00 0.00 O ATOM 0 H SER A 73 -12.940 -11.073 3.226 1.00 0.00 H new ATOM 0 HA SER A 73 -14.470 -13.348 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.119 -12.681 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.563 -11.964 1.512 1.00 0.00 H new ATOM 0 HG SER A 73 -14.005 -13.826 0.203 1.00 0.00 H new ATOM 1037 N THR A 74 -11.303 -13.800 3.249 1.00 0.00 N ATOM 1038 CA THR A 74 -10.209 -14.764 3.295 1.00 0.00 C ATOM 1039 C THR A 74 -10.160 -15.469 4.646 1.00 0.00 C ATOM 1040 O THR A 74 -10.169 -16.698 4.715 1.00 0.00 O ATOM 1041 CB THR A 74 -8.878 -14.064 3.019 1.00 0.00 C ATOM 1042 OG1 THR A 74 -8.528 -13.209 4.094 1.00 0.00 O ATOM 1043 CG2 THR A 74 -8.892 -13.231 1.756 1.00 0.00 C ATOM 0 H THR A 74 -11.013 -12.842 3.053 1.00 0.00 H new ATOM 0 HA THR A 74 -10.384 -15.515 2.524 1.00 0.00 H new ATOM 0 HB THR A 74 -8.149 -14.866 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.868 -12.307 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.918 -12.762 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.110 -13.871 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.658 -12.460 1.837 1.00 0.00 H new ATOM 1051 N GLY A 75 -10.107 -14.685 5.718 1.00 0.00 N ATOM 1052 CA GLY A 75 -10.057 -15.255 7.052 1.00 0.00 C ATOM 1053 C GLY A 75 -8.786 -14.890 7.794 1.00 0.00 C ATOM 1054 O GLY A 75 -8.559 -15.350 8.913 1.00 0.00 O ATOM 0 H GLY A 75 -10.098 -13.666 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.919 -14.910 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.134 -16.340 6.983 1.00 0.00 H new ATOM 1058 N GLU A 76 -7.955 -14.061 7.172 1.00 0.00 N ATOM 1059 CA GLU A 76 -6.702 -13.634 7.783 1.00 0.00 C ATOM 1060 C GLU A 76 -6.880 -12.309 8.516 1.00 0.00 C ATOM 1061 O GLU A 76 -7.729 -11.495 8.153 1.00 0.00 O ATOM 1062 CB GLU A 76 -5.610 -13.502 6.719 1.00 0.00 C ATOM 1063 CG GLU A 76 -5.195 -14.829 6.107 1.00 0.00 C ATOM 1064 CD GLU A 76 -6.127 -15.279 5.000 1.00 0.00 C ATOM 1065 OE1 GLU A 76 -6.282 -14.530 4.013 1.00 0.00 O ATOM 1066 OE2 GLU A 76 -6.702 -16.382 5.119 1.00 0.00 O ATOM 0 H GLU A 76 -8.127 -13.671 6.245 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.402 -14.391 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.963 -12.841 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.736 -13.027 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.183 -14.741 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.168 -15.591 6.886 1.00 0.00 H new ATOM 1073 N PRO A 77 -6.075 -12.076 9.563 1.00 0.00 N ATOM 1074 CA PRO A 77 -6.141 -10.843 10.353 1.00 0.00 C ATOM 1075 C PRO A 77 -5.881 -9.602 9.507 1.00 0.00 C ATOM 1076 O PRO A 77 -5.798 -9.681 8.281 1.00 0.00 O ATOM 1077 CB PRO A 77 -5.035 -11.019 11.403 1.00 0.00 C ATOM 1078 CG PRO A 77 -4.151 -12.095 10.867 1.00 0.00 C ATOM 1079 CD PRO A 77 -5.039 -12.994 10.055 1.00 0.00 C ATOM 0 HA PRO A 77 -7.130 -10.693 10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.481 -10.092 11.550 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.452 -11.298 12.371 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.354 -11.676 10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.673 -12.647 11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.496 -13.466 9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.464 -13.795 10.660 1.00 0.00 H new ATOM 1087 N MET A 78 -5.756 -8.456 10.167 1.00 0.00 N ATOM 1088 CA MET A 78 -5.508 -7.197 9.474 1.00 0.00 C ATOM 1089 C MET A 78 -4.871 -6.175 10.411 1.00 0.00 C ATOM 1090 O MET A 78 -4.863 -6.355 11.628 1.00 0.00 O ATOM 1091 CB MET A 78 -6.814 -6.640 8.904 1.00 0.00 C ATOM 1092 CG MET A 78 -7.235 -7.291 7.596 1.00 0.00 C ATOM 1093 SD MET A 78 -7.613 -6.086 6.310 1.00 0.00 S ATOM 1094 CE MET A 78 -8.518 -4.858 7.250 1.00 0.00 C ATOM 0 H MET A 78 -5.822 -8.373 11.181 1.00 0.00 H new ATOM 0 HA MET A 78 -4.815 -7.392 8.655 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.608 -6.774 9.639 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.704 -5.567 8.747 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.438 -7.949 7.249 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.111 -7.916 7.771 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.207 -4.330 6.591 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.080 -5.349 8.044 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.818 -4.146 7.688 1.00 0.00 H new ATOM 1104 N THR A 79 -4.338 -5.104 9.834 1.00 0.00 N ATOM 1105 CA THR A 79 -3.699 -4.053 10.616 1.00 0.00 C ATOM 1106 C THR A 79 -4.153 -2.676 10.144 1.00 0.00 C ATOM 1107 O THR A 79 -5.033 -2.562 9.291 1.00 0.00 O ATOM 1108 CB THR A 79 -2.177 -4.165 10.514 1.00 0.00 C ATOM 1109 OG1 THR A 79 -1.798 -4.762 9.287 1.00 0.00 O ATOM 1110 CG2 THR A 79 -1.562 -4.982 11.630 1.00 0.00 C ATOM 0 H THR A 79 -4.336 -4.941 8.827 1.00 0.00 H new ATOM 0 HA THR A 79 -3.995 -4.177 11.658 1.00 0.00 H new ATOM 0 HB THR A 79 -1.807 -3.142 10.586 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.338 -4.387 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.481 -5.022 11.498 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.794 -4.520 12.590 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.968 -5.993 11.607 1.00 0.00 H new ATOM 1118 N ALA A 80 -3.551 -1.635 10.706 1.00 0.00 N ATOM 1119 CA ALA A 80 -3.898 -0.267 10.343 1.00 0.00 C ATOM 1120 C ALA A 80 -3.248 0.139 9.023 1.00 0.00 C ATOM 1121 O ALA A 80 -2.031 0.047 8.864 1.00 0.00 O ATOM 1122 CB ALA A 80 -3.486 0.691 11.451 1.00 0.00 C ATOM 0 H ALA A 80 -2.821 -1.712 11.414 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.979 -0.217 10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.750 1.710 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.003 0.425 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.409 0.626 11.607 1.00 0.00 H new ATOM 1128 N GLY A 81 -4.069 0.591 8.080 1.00 0.00 N ATOM 1129 CA GLY A 81 -3.558 1.008 6.787 1.00 0.00 C ATOM 1130 C GLY A 81 -3.479 -0.130 5.787 1.00 0.00 C ATOM 1131 O GLY A 81 -3.002 0.053 4.668 1.00 0.00 O ATOM 0 H GLY A 81 -5.080 0.676 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.198 1.794 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.566 1.440 6.917 1.00 0.00 H new ATOM 1135 N THR A 82 -3.948 -1.309 6.189 1.00 0.00 N ATOM 1136 CA THR A 82 -3.926 -2.477 5.318 1.00 0.00 C ATOM 1137 C THR A 82 -5.002 -2.379 4.238 1.00 0.00 C ATOM 1138 O THR A 82 -6.182 -2.606 4.504 1.00 0.00 O ATOM 1139 CB THR A 82 -4.130 -3.749 6.141 1.00 0.00 C ATOM 1140 OG1 THR A 82 -3.828 -3.517 7.506 1.00 0.00 O ATOM 1141 CG2 THR A 82 -3.274 -4.905 5.675 1.00 0.00 C ATOM 0 H THR A 82 -4.347 -1.479 7.112 1.00 0.00 H new ATOM 0 HA THR A 82 -2.953 -2.515 4.828 1.00 0.00 H new ATOM 0 HB THR A 82 -5.179 -4.015 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.625 -3.179 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.467 -5.776 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.515 -5.142 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.222 -4.631 5.749 1.00 0.00 H new ATOM 1149 N ARG A 83 -4.585 -2.044 3.020 1.00 0.00 N ATOM 1150 CA ARG A 83 -5.513 -1.921 1.899 1.00 0.00 C ATOM 1151 C ARG A 83 -4.799 -2.170 0.573 1.00 0.00 C ATOM 1152 O ARG A 83 -3.603 -1.912 0.445 1.00 0.00 O ATOM 1153 CB ARG A 83 -6.157 -0.531 1.887 1.00 0.00 C ATOM 1154 CG ARG A 83 -7.201 -0.350 0.795 1.00 0.00 C ATOM 1155 CD ARG A 83 -6.865 0.820 -0.119 1.00 0.00 C ATOM 1156 NE ARG A 83 -7.681 1.998 0.177 1.00 0.00 N ATOM 1157 CZ ARG A 83 -8.143 2.838 -0.747 1.00 0.00 C ATOM 1158 NH1 ARG A 83 -7.859 2.654 -2.030 1.00 0.00 N ATOM 1159 NH2 ARG A 83 -8.889 3.873 -0.383 1.00 0.00 N ATOM 0 H ARG A 83 -3.611 -1.853 2.784 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.292 -2.674 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.622 -0.347 2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.377 0.220 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.272 -1.264 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.178 -0.187 1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.810 1.073 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.018 0.525 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.910 2.188 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.282 1.863 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.218 3.303 -2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.107 4.023 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.245 4.518 -1.088 1.00 0.00 H new ATOM 1173 N LEU A 84 -5.540 -2.669 -0.411 1.00 0.00 N ATOM 1174 CA LEU A 84 -4.973 -2.948 -1.724 1.00 0.00 C ATOM 1175 C LEU A 84 -4.042 -1.820 -2.156 1.00 0.00 C ATOM 1176 O LEU A 84 -4.443 -0.658 -2.224 1.00 0.00 O ATOM 1177 CB LEU A 84 -6.086 -3.131 -2.756 1.00 0.00 C ATOM 1178 CG LEU A 84 -7.142 -4.177 -2.391 1.00 0.00 C ATOM 1179 CD1 LEU A 84 -7.972 -4.546 -3.612 1.00 0.00 C ATOM 1180 CD2 LEU A 84 -6.483 -5.414 -1.800 1.00 0.00 C ATOM 0 H LEU A 84 -6.532 -2.888 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.397 -3.871 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.583 -2.172 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.635 -3.409 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.807 -3.749 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.718 -5.291 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.473 -3.656 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.321 -4.956 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.248 -6.148 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.796 -5.844 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.932 -5.138 -0.901 1.00 0.00 H new ATOM 1192 N SER A 85 -2.794 -2.174 -2.436 1.00 0.00 N ATOM 1193 CA SER A 85 -1.789 -1.202 -2.851 1.00 0.00 C ATOM 1194 C SER A 85 -2.133 -0.587 -4.205 1.00 0.00 C ATOM 1195 O SER A 85 -1.646 0.492 -4.544 1.00 0.00 O ATOM 1196 CB SER A 85 -0.418 -1.873 -2.922 1.00 0.00 C ATOM 1197 OG SER A 85 -0.508 -3.249 -2.598 1.00 0.00 O ATOM 0 H SER A 85 -2.452 -3.133 -2.383 1.00 0.00 H new ATOM 0 HA SER A 85 -1.769 -0.401 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.005 -1.758 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.269 -1.378 -2.235 1.00 0.00 H new ATOM 0 HG SER A 85 0.277 -3.720 -2.948 1.00 0.00 H new ATOM 1203 N CYS A 86 -2.960 -1.278 -4.977 1.00 0.00 N ATOM 1204 CA CYS A 86 -3.350 -0.797 -6.299 1.00 0.00 C ATOM 1205 C CYS A 86 -4.719 -0.122 -6.266 1.00 0.00 C ATOM 1206 O CYS A 86 -5.458 -0.156 -7.250 1.00 0.00 O ATOM 1207 CB CYS A 86 -3.365 -1.955 -7.298 1.00 0.00 C ATOM 1208 SG CYS A 86 -4.869 -2.981 -7.226 1.00 0.00 S ATOM 0 H CYS A 86 -3.374 -2.172 -4.713 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.615 -0.056 -6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.261 -1.553 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.497 -2.589 -7.116 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.919 -2.214 -7.241 1.00 0.00 H new ATOM 1213 N GLN A 87 -5.056 0.484 -5.133 1.00 0.00 N ATOM 1214 CA GLN A 87 -6.345 1.156 -4.991 1.00 0.00 C ATOM 1215 C GLN A 87 -6.202 2.556 -4.388 1.00 0.00 C ATOM 1216 O GLN A 87 -7.094 3.390 -4.535 1.00 0.00 O ATOM 1217 CB GLN A 87 -7.284 0.313 -4.128 1.00 0.00 C ATOM 1218 CG GLN A 87 -7.936 -0.835 -4.881 1.00 0.00 C ATOM 1219 CD GLN A 87 -9.362 -0.527 -5.293 1.00 0.00 C ATOM 1220 OE1 GLN A 87 -10.314 -1.036 -4.702 1.00 0.00 O ATOM 1221 NE2 GLN A 87 -9.515 0.309 -6.313 1.00 0.00 N ATOM 0 H GLN A 87 -4.461 0.525 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.765 1.269 -5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.725 -0.089 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.063 0.956 -3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.347 -1.063 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.927 -1.727 -4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.696 0.707 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.451 0.553 -6.636 1.00 0.00 H new ATOM 1230 N VAL A 88 -5.089 2.813 -3.704 1.00 0.00 N ATOM 1231 CA VAL A 88 -4.859 4.106 -3.082 1.00 0.00 C ATOM 1232 C VAL A 88 -3.978 4.981 -3.958 1.00 0.00 C ATOM 1233 O VAL A 88 -2.831 4.645 -4.195 1.00 0.00 O ATOM 1234 CB VAL A 88 -4.190 3.920 -1.706 1.00 0.00 C ATOM 1235 CG1 VAL A 88 -3.497 5.191 -1.247 1.00 0.00 C ATOM 1236 CG2 VAL A 88 -5.212 3.452 -0.685 1.00 0.00 C ATOM 0 H VAL A 88 -4.335 2.140 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.824 4.596 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.421 3.153 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.036 5.023 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.729 5.468 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.228 5.996 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.727 3.324 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.006 4.194 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.638 2.501 -1.006 1.00 0.00 H new ATOM 1246 N PHE A 89 -4.519 6.097 -4.445 1.00 0.00 N ATOM 1247 CA PHE A 89 -3.756 6.996 -5.308 1.00 0.00 C ATOM 1248 C PHE A 89 -3.432 8.326 -4.639 1.00 0.00 C ATOM 1249 O PHE A 89 -4.286 8.973 -4.032 1.00 0.00 O ATOM 1250 CB PHE A 89 -4.514 7.237 -6.609 1.00 0.00 C ATOM 1251 CG PHE A 89 -4.949 5.962 -7.254 1.00 0.00 C ATOM 1252 CD1 PHE A 89 -4.336 4.776 -6.896 1.00 0.00 C ATOM 1253 CD2 PHE A 89 -5.968 5.941 -8.196 1.00 0.00 C ATOM 1254 CE1 PHE A 89 -4.727 3.576 -7.464 1.00 0.00 C ATOM 1255 CE2 PHE A 89 -6.366 4.746 -8.775 1.00 0.00 C ATOM 1256 CZ PHE A 89 -5.744 3.560 -8.408 1.00 0.00 C ATOM 0 H PHE A 89 -5.475 6.398 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.805 6.506 -5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.388 7.857 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.880 7.793 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.542 4.786 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.454 6.862 -8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.242 2.656 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.158 4.737 -9.510 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.051 2.627 -8.856 1.00 0.00 H new ATOM 1266 N ILE A 90 -2.174 8.711 -4.777 1.00 0.00 N ATOM 1267 CA ILE A 90 -1.638 9.941 -4.233 1.00 0.00 C ATOM 1268 C ILE A 90 -2.507 11.161 -4.547 1.00 0.00 C ATOM 1269 O ILE A 90 -3.365 11.131 -5.429 1.00 0.00 O ATOM 1270 CB ILE A 90 -0.224 10.137 -4.807 1.00 0.00 C ATOM 1271 CG1 ILE A 90 0.706 9.070 -4.245 1.00 0.00 C ATOM 1272 CG2 ILE A 90 0.334 11.511 -4.504 1.00 0.00 C ATOM 1273 CD1 ILE A 90 1.556 9.576 -3.100 1.00 0.00 C ATOM 0 H ILE A 90 -1.482 8.160 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.616 9.856 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.293 10.045 -5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.113 8.221 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.356 8.706 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.333 11.600 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.315 12.271 -4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.386 11.653 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.198 8.772 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.172 10.407 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.910 9.915 -2.290 1.00 0.00 H new ATOM 1285 N ASP A 91 -2.257 12.230 -3.797 1.00 0.00 N ATOM 1286 CA ASP A 91 -2.956 13.489 -3.919 1.00 0.00 C ATOM 1287 C ASP A 91 -2.340 14.401 -2.868 1.00 0.00 C ATOM 1288 O ASP A 91 -1.610 13.912 -2.008 1.00 0.00 O ATOM 1289 CB ASP A 91 -4.462 13.278 -3.679 1.00 0.00 C ATOM 1290 CG ASP A 91 -4.914 13.686 -2.287 1.00 0.00 C ATOM 1291 OD1 ASP A 91 -5.061 14.902 -2.045 1.00 0.00 O ATOM 1292 OD2 ASP A 91 -5.119 12.790 -1.442 1.00 0.00 O ATOM 0 H ASP A 91 -1.542 12.237 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.860 13.926 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.024 13.850 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.704 12.227 -3.838 1.00 0.00 H new ATOM 1297 N PRO A 92 -2.597 15.709 -2.882 1.00 0.00 N ATOM 1298 CA PRO A 92 -2.036 16.629 -1.882 1.00 0.00 C ATOM 1299 C PRO A 92 -2.575 16.329 -0.484 1.00 0.00 C ATOM 1300 O PRO A 92 -2.950 17.227 0.270 1.00 0.00 O ATOM 1301 CB PRO A 92 -2.488 18.011 -2.373 1.00 0.00 C ATOM 1302 CG PRO A 92 -2.904 17.797 -3.793 1.00 0.00 C ATOM 1303 CD PRO A 92 -3.438 16.397 -3.849 1.00 0.00 C ATOM 0 HA PRO A 92 -0.953 16.547 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.314 18.393 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.680 18.739 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.664 18.519 -4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.061 17.922 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.492 16.352 -3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.348 15.966 -4.846 1.00 0.00 H new ATOM 1311 N SER A 93 -2.613 15.040 -0.171 1.00 0.00 N ATOM 1312 CA SER A 93 -3.103 14.529 1.098 1.00 0.00 C ATOM 1313 C SER A 93 -2.215 13.378 1.588 1.00 0.00 C ATOM 1314 O SER A 93 -2.084 13.147 2.789 1.00 0.00 O ATOM 1315 CB SER A 93 -4.525 14.012 0.903 1.00 0.00 C ATOM 1316 OG SER A 93 -4.540 12.597 0.816 1.00 0.00 O ATOM 0 H SER A 93 -2.297 14.308 -0.807 1.00 0.00 H new ATOM 0 HA SER A 93 -3.086 15.329 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.152 14.336 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.951 14.441 -0.004 1.00 0.00 H new ATOM 0 HG SER A 93 -5.025 12.324 0.009 1.00 0.00 H new ATOM 1322 N MET A 94 -1.615 12.664 0.634 1.00 0.00 N ATOM 1323 CA MET A 94 -0.749 11.537 0.905 1.00 0.00 C ATOM 1324 C MET A 94 0.614 11.823 0.311 1.00 0.00 C ATOM 1325 O MET A 94 1.216 10.978 -0.349 1.00 0.00 O ATOM 1326 CB MET A 94 -1.339 10.286 0.259 1.00 0.00 C ATOM 1327 CG MET A 94 -2.597 9.790 0.943 1.00 0.00 C ATOM 1328 SD MET A 94 -3.785 9.076 -0.212 1.00 0.00 S ATOM 1329 CE MET A 94 -2.694 8.170 -1.307 1.00 0.00 C ATOM 0 H MET A 94 -1.725 12.863 -0.360 1.00 0.00 H new ATOM 0 HA MET A 94 -0.658 11.378 1.980 1.00 0.00 H new ATOM 0 HB2 MET A 94 -1.562 10.497 -0.787 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.591 9.493 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 94 -2.329 9.043 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 94 -3.066 10.618 1.475 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.285 7.644 -2.056 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.016 8.865 -1.802 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.116 7.449 -0.729 1.00 0.00 H new ATOM 1339 N ASP A 95 1.079 13.037 0.532 1.00 0.00 N ATOM 1340 CA ASP A 95 2.335 13.472 0.016 1.00 0.00 C ATOM 1341 C ASP A 95 3.422 13.168 1.013 1.00 0.00 C ATOM 1342 O ASP A 95 3.303 13.501 2.190 1.00 0.00 O ATOM 1343 CB ASP A 95 2.264 14.965 -0.300 1.00 0.00 C ATOM 1344 CG ASP A 95 1.336 15.269 -1.457 1.00 0.00 C ATOM 1345 OD1 ASP A 95 0.643 14.342 -1.918 1.00 0.00 O ATOM 1346 OD2 ASP A 95 1.303 16.437 -1.902 1.00 0.00 O ATOM 0 H ASP A 95 0.584 13.742 1.078 1.00 0.00 H new ATOM 0 HA ASP A 95 2.567 12.941 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.926 15.505 0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.263 15.332 -0.534 1.00 0.00 H new ATOM 1351 N GLY A 96 4.457 12.486 0.558 1.00 0.00 N ATOM 1352 CA GLY A 96 5.501 12.107 1.466 1.00 0.00 C ATOM 1353 C GLY A 96 5.014 10.981 2.336 1.00 0.00 C ATOM 1354 O GLY A 96 5.450 10.836 3.478 1.00 0.00 O ATOM 0 H GLY A 96 4.588 12.194 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.387 11.797 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.791 12.959 2.081 1.00 0.00 H new ATOM 1358 N LEU A 97 4.069 10.193 1.804 1.00 0.00 N ATOM 1359 CA LEU A 97 3.502 9.103 2.573 1.00 0.00 C ATOM 1360 C LEU A 97 4.464 7.946 2.698 1.00 0.00 C ATOM 1361 O LEU A 97 5.443 7.841 1.963 1.00 0.00 O ATOM 1362 CB LEU A 97 2.101 8.671 2.071 1.00 0.00 C ATOM 1363 CG LEU A 97 1.995 7.727 0.855 1.00 0.00 C ATOM 1364 CD1 LEU A 97 2.099 8.507 -0.440 1.00 0.00 C ATOM 1365 CD2 LEU A 97 3.018 6.599 0.899 1.00 0.00 C ATOM 0 H LEU A 97 3.694 10.295 0.861 1.00 0.00 H new ATOM 0 HA LEU A 97 3.340 9.486 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.587 8.191 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.544 9.577 1.832 1.00 0.00 H new ATOM 0 HG LEU A 97 1.012 7.258 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.022 7.822 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.292 9.238 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.058 9.023 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.899 5.965 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.023 7.020 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.865 6.004 1.799 1.00 0.00 H new ATOM 1377 N ILE A 98 4.191 7.106 3.674 1.00 0.00 N ATOM 1378 CA ILE A 98 5.042 5.974 3.957 1.00 0.00 C ATOM 1379 C ILE A 98 4.311 4.666 3.760 1.00 0.00 C ATOM 1380 O ILE A 98 3.195 4.483 4.247 1.00 0.00 O ATOM 1381 CB ILE A 98 5.593 6.037 5.389 1.00 0.00 C ATOM 1382 CG1 ILE A 98 6.396 7.321 5.581 1.00 0.00 C ATOM 1383 CG2 ILE A 98 6.437 4.816 5.702 1.00 0.00 C ATOM 1384 CD1 ILE A 98 5.558 8.553 5.359 1.00 0.00 C ATOM 0 H ILE A 98 3.380 7.189 4.287 1.00 0.00 H new ATOM 0 HA ILE A 98 5.872 6.021 3.252 1.00 0.00 H new ATOM 0 HB ILE A 98 4.754 6.043 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.810 7.342 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.239 7.327 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.815 4.886 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.828 3.917 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.276 4.766 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.172 9.442 5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.165 8.548 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.730 8.562 6.068 1.00 0.00 H new ATOM 1396 N VAL A 99 4.942 3.759 3.039 1.00 0.00 N ATOM 1397 CA VAL A 99 4.348 2.475 2.779 1.00 0.00 C ATOM 1398 C VAL A 99 5.177 1.330 3.335 1.00 0.00 C ATOM 1399 O VAL A 99 6.391 1.419 3.409 1.00 0.00 O ATOM 1400 CB VAL A 99 4.123 2.246 1.295 1.00 0.00 C ATOM 1401 CG1 VAL A 99 2.810 1.534 1.130 1.00 0.00 C ATOM 1402 CG2 VAL A 99 4.142 3.557 0.522 1.00 0.00 C ATOM 0 H VAL A 99 5.865 3.894 2.626 1.00 0.00 H new ATOM 0 HA VAL A 99 3.385 2.489 3.290 1.00 0.00 H new ATOM 0 HB VAL A 99 4.930 1.637 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.623 1.356 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.844 0.581 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.009 2.148 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.978 3.357 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.353 4.210 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.109 4.043 0.654 1.00 0.00 H new ATOM 1412 N ARG A 100 4.513 0.249 3.722 1.00 0.00 N ATOM 1413 CA ARG A 100 5.209 -0.910 4.266 1.00 0.00 C ATOM 1414 C ARG A 100 4.603 -2.211 3.760 1.00 0.00 C ATOM 1415 O ARG A 100 3.418 -2.274 3.430 1.00 0.00 O ATOM 1416 CB ARG A 100 5.184 -0.882 5.795 1.00 0.00 C ATOM 1417 CG ARG A 100 4.874 0.490 6.372 1.00 0.00 C ATOM 1418 CD ARG A 100 5.058 0.528 7.885 1.00 0.00 C ATOM 1419 NE ARG A 100 5.563 -0.735 8.424 1.00 0.00 N ATOM 1420 CZ ARG A 100 6.402 -0.821 9.454 1.00 0.00 C ATOM 1421 NH1 ARG A 100 6.808 0.275 10.083 1.00 0.00 N ATOM 1422 NH2 ARG A 100 6.823 -2.008 9.865 1.00 0.00 N ATOM 0 H ARG A 100 3.499 0.150 3.670 1.00 0.00 H new ATOM 0 HA ARG A 100 6.243 -0.862 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.439 -1.594 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.150 -1.216 6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.523 1.233 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.848 0.764 6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.749 1.331 8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.104 0.764 8.357 1.00 0.00 H new ATOM 0 HE ARG A 100 5.254 -1.602 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.477 1.190 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.451 0.202 10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.504 -2.854 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.466 -2.076 10.654 1.00 0.00 H new ATOM 1436 N VAL A 101 5.430 -3.248 3.706 1.00 0.00 N ATOM 1437 CA VAL A 101 4.995 -4.557 3.245 1.00 0.00 C ATOM 1438 C VAL A 101 4.834 -5.520 4.416 1.00 0.00 C ATOM 1439 O VAL A 101 5.755 -5.704 5.211 1.00 0.00 O ATOM 1440 CB VAL A 101 6.000 -5.156 2.241 1.00 0.00 C ATOM 1441 CG1 VAL A 101 5.591 -6.566 1.842 1.00 0.00 C ATOM 1442 CG2 VAL A 101 6.131 -4.265 1.015 1.00 0.00 C ATOM 0 H VAL A 101 6.412 -3.205 3.978 1.00 0.00 H new ATOM 0 HA VAL A 101 4.033 -4.420 2.751 1.00 0.00 H new ATOM 0 HB VAL A 101 6.974 -5.211 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.315 -6.968 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.560 -7.200 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.605 -6.541 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.845 -4.706 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.160 -4.171 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.482 -3.278 1.318 1.00 0.00 H new ATOM 1452 N PRO A 102 3.653 -6.144 4.538 1.00 0.00 N ATOM 1453 CA PRO A 102 3.362 -7.091 5.618 1.00 0.00 C ATOM 1454 C PRO A 102 4.442 -8.134 5.812 1.00 0.00 C ATOM 1455 O PRO A 102 5.551 -8.021 5.287 1.00 0.00 O ATOM 1456 CB PRO A 102 2.077 -7.766 5.153 1.00 0.00 C ATOM 1457 CG PRO A 102 1.402 -6.739 4.322 1.00 0.00 C ATOM 1458 CD PRO A 102 2.503 -5.973 3.633 1.00 0.00 C ATOM 0 HA PRO A 102 3.290 -6.581 6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.287 -8.668 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.456 -8.064 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.735 -7.202 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.793 -6.077 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.710 -6.372 2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.243 -4.922 3.507 1.00 0.00 H new