USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 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 26 MET CE :methyl -114:sc= -2.83 (180deg=-4.85!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= -0.567 K(o=-3.4,f=-4.9) USER MOD Single : A 3 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.4) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.0625 (180deg=-0.385) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.216 (180deg=-0.684) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00399 USER MOD Single : A 43 SER OG : rot 130:sc= 0.0915 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -121:sc= -1.11 (180deg=-5.87!) USER MOD Single : A 47 ASN : amide:sc= -0.369 K(o=-0.37,f=-3.2!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 59:sc= 0.169 USER MOD Single : A 67 THR OG1 : rot -110:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= 0.955 K(o=0.96,f=-4.4!) USER MOD Single : A 72 THR OG1 : rot 78:sc= 0.723 USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= -0.669 (180deg=-2.55!) USER MOD Single : A 82 TYR OH : rot -150:sc= 0.661 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 24:sc= 0.232 USER MOD Single : A 95 THR OG1 : rot -83:sc= 0.0658 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.851 9.943 4.713 1.00 0.00 N ATOM 21 CA VAL A 2 -9.453 10.304 4.476 1.00 0.00 C ATOM 22 C VAL A 2 -9.043 10.019 3.032 1.00 0.00 C ATOM 23 O VAL A 2 -9.719 9.271 2.324 1.00 0.00 O ATOM 24 CB VAL A 2 -8.498 9.541 5.422 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.703 9.974 6.865 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.684 8.037 5.279 1.00 0.00 C ATOM 0 HA VAL A 2 -9.373 11.373 4.673 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.475 9.786 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.020 9.423 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.506 11.042 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.731 9.768 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.002 7.520 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.711 7.772 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.472 7.740 4.252 1.00 0.00 H new ATOM 36 N ASN A 3 -7.929 10.615 2.607 1.00 0.00 N ATOM 37 CA ASN A 3 -7.419 10.423 1.250 1.00 0.00 C ATOM 38 C ASN A 3 -5.914 10.152 1.267 1.00 0.00 C ATOM 39 O ASN A 3 -5.116 11.030 1.604 1.00 0.00 O ATOM 40 CB ASN A 3 -7.728 11.645 0.375 1.00 0.00 C ATOM 41 CG ASN A 3 -7.276 12.953 1.004 1.00 0.00 C ATOM 42 OD1 ASN A 3 -7.992 13.543 1.811 1.00 0.00 O ATOM 43 ND2 ASN A 3 -6.084 13.413 0.636 1.00 0.00 N ATOM 0 H ASN A 3 -7.362 11.236 3.184 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.921 9.555 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.240 11.525 -0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.801 11.689 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.732 14.287 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.522 12.892 -0.037 1.00 0.00 H new ATOM 50 N VAL A 4 -5.535 8.928 0.904 1.00 0.00 N ATOM 51 CA VAL A 4 -4.130 8.534 0.877 1.00 0.00 C ATOM 52 C VAL A 4 -3.626 8.389 -0.558 1.00 0.00 C ATOM 53 O VAL A 4 -4.293 7.787 -1.401 1.00 0.00 O ATOM 54 CB VAL A 4 -3.899 7.205 1.626 1.00 0.00 C ATOM 55 CG1 VAL A 4 -2.409 6.937 1.794 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.605 7.211 2.977 1.00 0.00 C ATOM 0 H VAL A 4 -6.183 8.192 0.624 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.573 9.325 1.379 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.326 6.399 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.266 5.996 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.937 6.876 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.956 7.747 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.427 6.263 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.218 8.028 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.676 7.346 2.827 1.00 0.00 H new ATOM 66 N LYS A 5 -2.443 8.943 -0.825 1.00 0.00 N ATOM 67 CA LYS A 5 -1.840 8.876 -2.154 1.00 0.00 C ATOM 68 C LYS A 5 -0.744 7.811 -2.198 1.00 0.00 C ATOM 69 O LYS A 5 0.266 7.919 -1.499 1.00 0.00 O ATOM 70 CB LYS A 5 -1.265 10.244 -2.538 1.00 0.00 C ATOM 71 CG LYS A 5 -0.650 10.288 -3.931 1.00 0.00 C ATOM 72 CD LYS A 5 -1.524 11.063 -4.906 1.00 0.00 C ATOM 73 CE LYS A 5 -0.964 12.452 -5.179 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.144 13.368 -4.015 1.00 0.00 N ATOM 0 H LYS A 5 -1.883 9.444 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.613 8.601 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.058 10.990 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.506 10.526 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.336 10.750 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.507 9.272 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.603 10.511 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.532 11.150 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.097 12.374 -5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.458 12.876 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.749 14.302 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.157 13.464 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.651 12.977 -3.186 1.00 0.00 H new ATOM 88 N VAL A 6 -0.951 6.784 -3.023 1.00 0.00 N ATOM 89 CA VAL A 6 0.019 5.698 -3.159 1.00 0.00 C ATOM 90 C VAL A 6 0.483 5.543 -4.606 1.00 0.00 C ATOM 91 O VAL A 6 -0.302 5.714 -5.539 1.00 0.00 O ATOM 92 CB VAL A 6 -0.555 4.351 -2.665 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.628 4.323 -1.145 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.925 4.087 -3.273 1.00 0.00 C ATOM 0 H VAL A 6 -1.781 6.682 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 6 0.872 5.967 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 6 0.118 3.558 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.035 3.366 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.372 4.453 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.273 5.130 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.307 3.133 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.610 4.885 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.841 4.054 -4.359 1.00 0.00 H new ATOM 104 N GLU A 7 1.762 5.217 -4.785 1.00 0.00 N ATOM 105 CA GLU A 7 2.333 5.038 -6.120 1.00 0.00 C ATOM 106 C GLU A 7 2.676 3.571 -6.379 1.00 0.00 C ATOM 107 O GLU A 7 2.931 2.812 -5.445 1.00 0.00 O ATOM 108 CB GLU A 7 3.584 5.903 -6.280 1.00 0.00 C ATOM 109 CG GLU A 7 3.280 7.378 -6.486 1.00 0.00 C ATOM 110 CD GLU A 7 4.329 8.080 -7.328 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.405 7.796 -8.542 1.00 0.00 O ATOM 112 OE2 GLU A 7 5.073 8.916 -6.772 1.00 0.00 O ATOM 0 H GLU A 7 2.423 5.071 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 7 1.587 5.349 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.210 5.790 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.162 5.538 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.307 7.481 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.210 7.869 -5.516 1.00 0.00 H new ATOM 119 N PHE A 8 2.681 3.181 -7.652 1.00 0.00 N ATOM 120 CA PHE A 8 2.990 1.807 -8.038 1.00 0.00 C ATOM 121 C PHE A 8 4.072 1.770 -9.114 1.00 0.00 C ATOM 122 O PHE A 8 3.886 2.298 -10.213 1.00 0.00 O ATOM 123 CB PHE A 8 1.727 1.098 -8.536 1.00 0.00 C ATOM 124 CG PHE A 8 0.733 0.812 -7.444 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.082 0.019 -6.362 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.547 1.341 -7.497 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.174 -0.243 -5.356 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.460 1.082 -6.492 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.099 0.290 -5.421 1.00 0.00 C ATOM 0 H PHE A 8 2.474 3.800 -8.436 1.00 0.00 H new ATOM 0 HA PHE A 8 3.366 1.285 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.250 1.714 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.010 0.160 -9.014 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.076 -0.399 -6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.834 1.962 -8.332 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.458 -0.864 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.455 1.499 -6.545 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.811 0.087 -4.635 1.00 0.00 H new ATOM 139 N LEU A 9 5.203 1.147 -8.785 1.00 0.00 N ATOM 140 CA LEU A 9 6.326 1.038 -9.714 1.00 0.00 C ATOM 141 C LEU A 9 6.706 -0.423 -9.952 1.00 0.00 C ATOM 142 O LEU A 9 6.202 -1.325 -9.278 1.00 0.00 O ATOM 143 CB LEU A 9 7.535 1.809 -9.175 1.00 0.00 C ATOM 144 CG LEU A 9 7.595 3.291 -9.556 1.00 0.00 C ATOM 145 CD1 LEU A 9 7.788 3.452 -11.058 1.00 0.00 C ATOM 146 CD2 LEU A 9 6.338 4.016 -9.094 1.00 0.00 C ATOM 0 H LEU A 9 5.366 0.709 -7.878 1.00 0.00 H new ATOM 0 HA LEU A 9 6.018 1.471 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.538 1.731 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.443 1.323 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 9 8.451 3.739 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.828 4.512 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.720 2.973 -11.359 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.954 2.986 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.401 5.067 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.464 3.566 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.248 3.934 -8.011 1.00 0.00 H new ATOM 158 N GLY A 10 7.602 -0.646 -10.914 1.00 0.00 N ATOM 159 CA GLY A 10 8.040 -1.995 -11.229 1.00 0.00 C ATOM 160 C GLY A 10 6.998 -2.775 -12.005 1.00 0.00 C ATOM 161 O GLY A 10 6.825 -2.564 -13.207 1.00 0.00 O ATOM 0 H GLY A 10 8.032 0.086 -11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.962 -1.949 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.272 -2.524 -10.305 1.00 0.00 H new ATOM 165 N GLY A 11 6.300 -3.676 -11.314 1.00 0.00 N ATOM 166 CA GLY A 11 5.271 -4.480 -11.954 1.00 0.00 C ATOM 167 C GLY A 11 3.984 -4.550 -11.145 1.00 0.00 C ATOM 168 O GLY A 11 3.235 -5.522 -11.253 1.00 0.00 O ATOM 0 H GLY A 11 6.430 -3.863 -10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.053 -4.065 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.651 -5.490 -12.110 1.00 0.00 H new ATOM 172 N LEU A 12 3.723 -3.520 -10.339 1.00 0.00 N ATOM 173 CA LEU A 12 2.514 -3.476 -9.517 1.00 0.00 C ATOM 174 C LEU A 12 1.350 -2.859 -10.292 1.00 0.00 C ATOM 175 O LEU A 12 0.219 -3.342 -10.217 1.00 0.00 O ATOM 176 CB LEU A 12 2.768 -2.683 -8.232 1.00 0.00 C ATOM 177 CG LEU A 12 2.961 -3.536 -6.978 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.533 -2.698 -5.844 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.643 -4.176 -6.564 1.00 0.00 C ATOM 0 H LEU A 12 4.331 -2.707 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 12 2.249 -4.500 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.654 -2.064 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.930 -2.006 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 12 3.672 -4.330 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.663 -3.322 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.498 -2.289 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.848 -1.882 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.797 -4.780 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.910 -3.397 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.277 -4.810 -7.372 1.00 0.00 H new ATOM 191 N ASP A 13 1.640 -1.794 -11.041 1.00 0.00 N ATOM 192 CA ASP A 13 0.626 -1.107 -11.844 1.00 0.00 C ATOM 193 C ASP A 13 -0.009 -2.056 -12.861 1.00 0.00 C ATOM 194 O ASP A 13 -1.196 -1.940 -13.168 1.00 0.00 O ATOM 195 CB ASP A 13 1.240 0.094 -12.574 1.00 0.00 C ATOM 196 CG ASP A 13 2.491 -0.270 -13.355 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.556 -0.444 -12.723 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.403 -0.384 -14.595 1.00 0.00 O ATOM 0 H ASP A 13 2.573 -1.387 -11.109 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.150 -0.756 -11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.501 0.516 -13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.483 0.870 -11.848 1.00 0.00 H new ATOM 203 N ALA A 14 0.787 -2.996 -13.376 1.00 0.00 N ATOM 204 CA ALA A 14 0.299 -3.965 -14.356 1.00 0.00 C ATOM 205 C ALA A 14 -0.746 -4.894 -13.742 1.00 0.00 C ATOM 206 O ALA A 14 -1.665 -5.346 -14.426 1.00 0.00 O ATOM 207 CB ALA A 14 1.455 -4.777 -14.924 1.00 0.00 C ATOM 0 H ALA A 14 1.771 -3.105 -13.130 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.174 -3.410 -15.166 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.074 -5.493 -15.652 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.165 -4.108 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.955 -5.312 -14.117 1.00 0.00 H new ATOM 213 N ILE A 15 -0.598 -5.174 -12.448 1.00 0.00 N ATOM 214 CA ILE A 15 -1.526 -6.048 -11.736 1.00 0.00 C ATOM 215 C ILE A 15 -2.855 -5.342 -11.467 1.00 0.00 C ATOM 216 O ILE A 15 -3.924 -5.907 -11.695 1.00 0.00 O ATOM 217 CB ILE A 15 -0.935 -6.523 -10.392 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.483 -7.068 -10.583 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.831 -7.579 -9.762 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.139 -7.520 -9.294 1.00 0.00 C ATOM 0 H ILE A 15 0.158 -4.806 -11.871 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.697 -6.912 -12.378 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.882 -5.666 -9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.450 -7.907 -11.278 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.100 -6.297 -11.044 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.400 -7.904 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.821 -7.158 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.915 -8.433 -10.434 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.141 -7.894 -9.507 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.205 -6.678 -8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.544 -8.314 -8.842 1.00 0.00 H new ATOM 232 N PHE A 16 -2.775 -4.107 -10.973 1.00 0.00 N ATOM 233 CA PHE A 16 -3.967 -3.322 -10.659 1.00 0.00 C ATOM 234 C PHE A 16 -4.797 -3.047 -11.912 1.00 0.00 C ATOM 235 O PHE A 16 -5.929 -3.521 -12.032 1.00 0.00 O ATOM 236 CB PHE A 16 -3.570 -2.000 -9.996 1.00 0.00 C ATOM 237 CG PHE A 16 -3.283 -2.121 -8.524 1.00 0.00 C ATOM 238 CD1 PHE A 16 -2.227 -2.895 -8.067 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.069 -1.457 -7.597 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.965 -3.008 -6.715 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.813 -1.566 -6.245 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.758 -2.340 -5.803 1.00 0.00 C ATOM 0 H PHE A 16 -1.895 -3.628 -10.781 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.577 -3.903 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.687 -1.604 -10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.372 -1.276 -10.142 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.602 -3.416 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.893 -0.846 -7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.142 -3.617 -6.372 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.437 -1.046 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.554 -2.423 -4.746 1.00 0.00 H new ATOM 252 N GLY A 17 -4.231 -2.275 -12.835 1.00 0.00 N ATOM 253 CA GLY A 17 -4.929 -1.940 -14.065 1.00 0.00 C ATOM 254 C GLY A 17 -4.234 -0.839 -14.844 1.00 0.00 C ATOM 255 O GLY A 17 -4.876 0.111 -15.294 1.00 0.00 O ATOM 0 H GLY A 17 -3.297 -1.873 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.006 -2.830 -14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.946 -1.627 -13.829 1.00 0.00 H new ATOM 259 N LYS A 18 -2.916 -0.969 -14.997 1.00 0.00 N ATOM 260 CA LYS A 18 -2.114 0.017 -15.719 1.00 0.00 C ATOM 261 C LYS A 18 -2.269 1.408 -15.097 1.00 0.00 C ATOM 262 O LYS A 18 -2.566 2.382 -15.793 1.00 0.00 O ATOM 263 CB LYS A 18 -2.506 0.045 -17.204 1.00 0.00 C ATOM 264 CG LYS A 18 -2.403 -1.310 -17.891 1.00 0.00 C ATOM 265 CD LYS A 18 -1.860 -1.186 -19.307 1.00 0.00 C ATOM 266 CE LYS A 18 -2.204 -2.410 -20.145 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.492 -2.057 -21.566 1.00 0.00 N ATOM 0 H LYS A 18 -2.379 -1.753 -14.627 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.067 -0.275 -15.642 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.529 0.411 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.866 0.756 -17.726 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.754 -1.964 -17.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.386 -1.779 -17.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.271 -0.293 -19.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.778 -1.059 -19.273 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.376 -3.118 -20.109 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.071 -2.911 -19.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.721 -2.920 -22.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.299 -1.402 -21.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.657 -1.602 -21.987 1.00 0.00 H new ATOM 281 N GLN A 19 -2.066 1.492 -13.779 1.00 0.00 N ATOM 282 CA GLN A 19 -2.181 2.760 -13.060 1.00 0.00 C ATOM 283 C GLN A 19 -0.912 3.054 -12.263 1.00 0.00 C ATOM 284 O GLN A 19 -0.507 2.258 -11.413 1.00 0.00 O ATOM 285 CB GLN A 19 -3.391 2.734 -12.121 1.00 0.00 C ATOM 286 CG GLN A 19 -4.728 2.775 -12.844 1.00 0.00 C ATOM 287 CD GLN A 19 -5.639 3.876 -12.331 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.526 5.029 -12.743 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.547 3.525 -11.426 1.00 0.00 N ATOM 0 H GLN A 19 -1.821 0.696 -13.190 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.318 3.552 -13.796 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.346 1.832 -11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.330 3.583 -11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.555 2.920 -13.910 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.228 1.813 -12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.606 2.556 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.185 4.224 -11.046 1.00 0.00 H new ATOM 298 N ARG A 20 -0.290 4.201 -12.541 1.00 0.00 N ATOM 299 CA ARG A 20 0.936 4.604 -11.849 1.00 0.00 C ATOM 300 C ARG A 20 0.655 4.941 -10.385 1.00 0.00 C ATOM 301 O ARG A 20 1.148 4.267 -9.483 1.00 0.00 O ATOM 302 CB ARG A 20 1.576 5.807 -12.553 1.00 0.00 C ATOM 303 CG ARG A 20 3.066 5.642 -12.808 1.00 0.00 C ATOM 304 CD ARG A 20 3.464 6.189 -14.171 1.00 0.00 C ATOM 305 NE ARG A 20 3.610 7.646 -14.163 1.00 0.00 N ATOM 306 CZ ARG A 20 3.579 8.407 -15.261 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.412 7.855 -16.461 1.00 0.00 N ATOM 308 NH2 ARG A 20 3.719 9.723 -15.162 1.00 0.00 N ATOM 0 H ARG A 20 -0.615 4.868 -13.241 1.00 0.00 H new ATOM 0 HA ARG A 20 1.631 3.765 -11.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.069 5.973 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.416 6.699 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.628 6.158 -12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.332 4.587 -12.747 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.404 5.733 -14.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.712 5.905 -14.908 1.00 0.00 H new ATOM 0 HE ARG A 20 3.744 8.109 -13.264 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.307 6.844 -16.547 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.389 8.443 -17.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.850 10.154 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.695 10.303 -16.001 1.00 0.00 H new ATOM 322 N VAL A 21 -0.139 5.988 -10.156 1.00 0.00 N ATOM 323 CA VAL A 21 -0.481 6.411 -8.799 1.00 0.00 C ATOM 324 C VAL A 21 -1.973 6.216 -8.518 1.00 0.00 C ATOM 325 O VAL A 21 -2.818 6.517 -9.362 1.00 0.00 O ATOM 326 CB VAL A 21 -0.097 7.888 -8.554 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.874 8.813 -9.479 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.318 8.272 -7.097 1.00 0.00 C ATOM 0 H VAL A 21 -0.556 6.557 -10.892 1.00 0.00 H new ATOM 0 HA VAL A 21 0.092 5.784 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 21 0.964 8.000 -8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.585 9.846 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.652 8.561 -10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.942 8.695 -9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.041 9.316 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.369 8.136 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.297 7.639 -6.457 1.00 0.00 H new ATOM 338 N HIS A 22 -2.283 5.708 -7.326 1.00 0.00 N ATOM 339 CA HIS A 22 -3.667 5.466 -6.923 1.00 0.00 C ATOM 340 C HIS A 22 -3.973 6.132 -5.580 1.00 0.00 C ATOM 341 O HIS A 22 -3.070 6.392 -4.784 1.00 0.00 O ATOM 342 CB HIS A 22 -3.930 3.960 -6.833 1.00 0.00 C ATOM 343 CG HIS A 22 -5.369 3.585 -7.019 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.310 3.683 -6.016 1.00 0.00 N ATOM 345 CD2 HIS A 22 -6.027 3.106 -8.102 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.482 3.280 -6.472 1.00 0.00 C ATOM 347 NE2 HIS A 22 -7.338 2.926 -7.735 1.00 0.00 N ATOM 0 H HIS A 22 -1.591 5.455 -6.620 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.323 5.902 -7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.331 3.450 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.593 3.599 -5.861 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.600 2.903 -9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.402 3.246 -5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.080 2.575 -8.341 1.00 0.00 H new ATOM 356 N LYS A 23 -5.255 6.404 -5.334 1.00 0.00 N ATOM 357 CA LYS A 23 -5.682 7.037 -4.087 1.00 0.00 C ATOM 358 C LYS A 23 -6.729 6.183 -3.372 1.00 0.00 C ATOM 359 O LYS A 23 -7.694 5.726 -3.987 1.00 0.00 O ATOM 360 CB LYS A 23 -6.245 8.432 -4.360 1.00 0.00 C ATOM 361 CG LYS A 23 -5.263 9.363 -5.054 1.00 0.00 C ATOM 362 CD LYS A 23 -5.982 10.393 -5.914 1.00 0.00 C ATOM 363 CE LYS A 23 -6.363 11.629 -5.111 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.168 12.405 -4.674 1.00 0.00 N ATOM 0 H LYS A 23 -6.015 6.196 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.809 7.128 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.140 8.339 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.552 8.881 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.654 9.873 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.584 8.779 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.341 10.683 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.879 9.947 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.009 12.268 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.939 11.329 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.446 13.387 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.770 11.975 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.453 12.396 -5.429 1.00 0.00 H new ATOM 378 N ILE A 24 -6.531 5.972 -2.070 1.00 0.00 N ATOM 379 CA ILE A 24 -7.455 5.169 -1.270 1.00 0.00 C ATOM 380 C ILE A 24 -8.116 6.006 -0.178 1.00 0.00 C ATOM 381 O ILE A 24 -7.490 6.896 0.402 1.00 0.00 O ATOM 382 CB ILE A 24 -6.740 3.964 -0.621 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.864 3.240 -1.648 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.754 3.000 -0.014 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.632 2.729 -2.850 1.00 0.00 C ATOM 0 H ILE A 24 -5.739 6.346 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.222 4.802 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.099 4.338 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.082 3.919 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.367 2.401 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.230 2.158 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.336 3.517 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.422 2.635 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.947 2.228 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.396 2.025 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.107 3.566 -3.361 1.00 0.00 H new ATOM 397 N LYS A 25 -9.387 5.709 0.098 1.00 0.00 N ATOM 398 CA LYS A 25 -10.145 6.425 1.120 1.00 0.00 C ATOM 399 C LYS A 25 -10.775 5.445 2.109 1.00 0.00 C ATOM 400 O LYS A 25 -11.722 4.733 1.769 1.00 0.00 O ATOM 401 CB LYS A 25 -11.235 7.284 0.470 1.00 0.00 C ATOM 402 CG LYS A 25 -10.705 8.283 -0.547 1.00 0.00 C ATOM 403 CD LYS A 25 -10.630 7.675 -1.939 1.00 0.00 C ATOM 404 CE LYS A 25 -10.581 8.747 -3.016 1.00 0.00 C ATOM 405 NZ LYS A 25 -9.545 8.454 -4.046 1.00 0.00 N ATOM 0 H LYS A 25 -9.913 4.974 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.458 7.074 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.956 6.630 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.772 7.824 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.351 9.161 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.715 8.622 -0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.745 7.043 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.495 7.033 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.557 8.825 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.373 9.713 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.181 9.347 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.764 7.922 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.966 7.889 -4.811 1.00 0.00 H new ATOM 419 N MET A 26 -10.243 5.407 3.332 1.00 0.00 N ATOM 420 CA MET A 26 -10.757 4.508 4.365 1.00 0.00 C ATOM 421 C MET A 26 -11.674 5.254 5.333 1.00 0.00 C ATOM 422 O MET A 26 -11.214 6.081 6.123 1.00 0.00 O ATOM 423 CB MET A 26 -9.602 3.860 5.135 1.00 0.00 C ATOM 424 CG MET A 26 -9.313 2.434 4.704 1.00 0.00 C ATOM 425 SD MET A 26 -10.505 1.260 5.374 1.00 0.00 S ATOM 426 CE MET A 26 -9.590 -0.271 5.221 1.00 0.00 C ATOM 0 H MET A 26 -9.459 5.987 3.630 1.00 0.00 H new ATOM 0 HA MET A 26 -11.337 3.728 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.703 4.461 5.000 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.835 3.869 6.200 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.323 2.377 3.616 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.310 2.155 5.028 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.083 -0.919 4.496 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.576 -0.057 4.885 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.553 -0.771 6.189 1.00 0.00 H new ATOM 436 N ASP A 27 -12.971 4.956 5.272 1.00 0.00 N ATOM 437 CA ASP A 27 -13.944 5.599 6.148 1.00 0.00 C ATOM 438 C ASP A 27 -14.346 4.668 7.294 1.00 0.00 C ATOM 439 O ASP A 27 -15.508 4.267 7.407 1.00 0.00 O ATOM 440 CB ASP A 27 -15.185 6.025 5.353 1.00 0.00 C ATOM 441 CG ASP A 27 -15.988 7.108 6.052 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.938 7.184 7.297 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.659 7.889 5.352 1.00 0.00 O ATOM 0 H ASP A 27 -13.370 4.275 4.626 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.478 6.488 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.876 6.384 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.822 5.156 5.189 1.00 0.00 H new ATOM 448 N LYS A 28 -13.376 4.333 8.144 1.00 0.00 N ATOM 449 CA LYS A 28 -13.622 3.453 9.286 1.00 0.00 C ATOM 450 C LYS A 28 -13.482 4.213 10.603 1.00 0.00 C ATOM 451 O LYS A 28 -14.315 4.073 11.500 1.00 0.00 O ATOM 452 CB LYS A 28 -12.661 2.262 9.258 1.00 0.00 C ATOM 453 CG LYS A 28 -13.226 1.000 9.891 1.00 0.00 C ATOM 454 CD LYS A 28 -12.241 -0.152 9.779 1.00 0.00 C ATOM 455 CE LYS A 28 -12.239 -1.023 11.027 1.00 0.00 C ATOM 456 NZ LYS A 28 -13.222 -2.139 10.934 1.00 0.00 N ATOM 0 H LYS A 28 -12.412 4.658 8.063 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.645 3.083 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.392 2.049 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.742 2.537 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.456 1.186 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.163 0.731 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.493 -0.762 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.239 0.243 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.241 -1.432 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.470 -0.409 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.187 -2.706 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.179 -1.750 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.988 -2.741 10.119 1.00 0.00 H new ATOM 470 N GLU A 29 -12.425 5.016 10.709 1.00 0.00 N ATOM 471 CA GLU A 29 -12.167 5.806 11.912 1.00 0.00 C ATOM 472 C GLU A 29 -11.041 6.813 11.670 1.00 0.00 C ATOM 473 O GLU A 29 -10.519 6.917 10.558 1.00 0.00 O ATOM 474 CB GLU A 29 -11.800 4.889 13.087 1.00 0.00 C ATOM 475 CG GLU A 29 -10.682 3.911 12.769 1.00 0.00 C ATOM 476 CD GLU A 29 -10.419 2.932 13.894 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.182 1.950 14.019 1.00 0.00 O ATOM 478 OE2 GLU A 29 -9.450 3.147 14.653 1.00 0.00 O ATOM 0 H GLU A 29 -11.730 5.137 9.972 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.077 6.353 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.503 5.503 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.685 4.330 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.936 3.358 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.769 4.467 12.557 1.00 0.00 H new ATOM 485 N ASP A 30 -10.666 7.547 12.717 1.00 0.00 N ATOM 486 CA ASP A 30 -9.592 8.534 12.615 1.00 0.00 C ATOM 487 C ASP A 30 -8.226 7.883 12.847 1.00 0.00 C ATOM 488 O ASP A 30 -7.316 8.041 12.032 1.00 0.00 O ATOM 489 CB ASP A 30 -9.808 9.678 13.610 1.00 0.00 C ATOM 490 CG ASP A 30 -10.307 10.942 12.937 1.00 0.00 C ATOM 491 OD1 ASP A 30 -9.531 11.554 12.172 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.473 11.320 13.172 1.00 0.00 O ATOM 0 H ASP A 30 -11.089 7.477 13.643 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.611 8.944 11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.526 9.366 14.369 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.871 9.889 14.126 1.00 0.00 H new ATOM 497 N PRO A 31 -8.060 7.136 13.961 1.00 0.00 N ATOM 498 CA PRO A 31 -6.800 6.462 14.289 1.00 0.00 C ATOM 499 C PRO A 31 -6.612 5.168 13.491 1.00 0.00 C ATOM 500 O PRO A 31 -6.385 4.099 14.062 1.00 0.00 O ATOM 501 CB PRO A 31 -6.928 6.158 15.794 1.00 0.00 C ATOM 502 CG PRO A 31 -8.244 6.726 16.229 1.00 0.00 C ATOM 503 CD PRO A 31 -9.072 6.886 14.990 1.00 0.00 C ATOM 0 HA PRO A 31 -5.934 7.077 14.044 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.888 5.084 15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.107 6.608 16.352 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.736 6.063 16.941 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.106 7.685 16.729 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.657 5.992 14.775 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.776 7.714 15.077 1.00 0.00 H new ATOM 511 N VAL A 32 -6.707 5.272 12.166 1.00 0.00 N ATOM 512 CA VAL A 32 -6.550 4.115 11.292 1.00 0.00 C ATOM 513 C VAL A 32 -5.080 3.868 10.970 1.00 0.00 C ATOM 514 O VAL A 32 -4.400 4.742 10.428 1.00 0.00 O ATOM 515 CB VAL A 32 -7.327 4.289 9.968 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.278 3.011 9.147 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.767 4.697 10.234 1.00 0.00 C ATOM 0 H VAL A 32 -6.892 6.147 11.676 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.956 3.259 11.831 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.848 5.085 9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.831 3.154 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.241 2.765 8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.727 2.196 9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.293 4.813 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.259 3.928 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.783 5.642 10.776 1.00 0.00 H new ATOM 527 N THR A 33 -4.599 2.669 11.292 1.00 0.00 N ATOM 528 CA THR A 33 -3.211 2.302 11.021 1.00 0.00 C ATOM 529 C THR A 33 -3.017 2.037 9.534 1.00 0.00 C ATOM 530 O THR A 33 -3.947 1.617 8.843 1.00 0.00 O ATOM 531 CB THR A 33 -2.806 1.070 11.837 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.770 0.040 11.708 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.636 1.362 13.313 1.00 0.00 C ATOM 0 H THR A 33 -5.149 1.936 11.740 1.00 0.00 H new ATOM 0 HA THR A 33 -2.572 3.134 11.317 1.00 0.00 H new ATOM 0 HB THR A 33 -1.844 0.758 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.491 -0.737 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.349 0.449 13.834 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.860 2.116 13.448 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.576 1.732 13.721 1.00 0.00 H new ATOM 541 N VAL A 34 -1.806 2.291 9.047 1.00 0.00 N ATOM 542 CA VAL A 34 -1.487 2.084 7.636 1.00 0.00 C ATOM 543 C VAL A 34 -1.859 0.673 7.176 1.00 0.00 C ATOM 544 O VAL A 34 -2.227 0.467 6.017 1.00 0.00 O ATOM 545 CB VAL A 34 0.002 2.352 7.359 1.00 0.00 C ATOM 546 CG1 VAL A 34 0.889 1.341 8.067 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.278 2.367 5.862 1.00 0.00 C ATOM 0 H VAL A 34 -1.029 2.640 9.608 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.083 2.797 7.066 1.00 0.00 H new ATOM 0 HB VAL A 34 0.243 3.337 7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.935 1.559 7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.722 1.400 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.648 0.337 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.337 2.558 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.009 1.402 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.314 3.152 5.391 1.00 0.00 H new ATOM 557 N GLY A 35 -1.785 -0.290 8.099 1.00 0.00 N ATOM 558 CA GLY A 35 -2.141 -1.657 7.775 1.00 0.00 C ATOM 559 C GLY A 35 -3.580 -1.781 7.302 1.00 0.00 C ATOM 560 O GLY A 35 -3.913 -2.697 6.550 1.00 0.00 O ATOM 0 H GLY A 35 -1.485 -0.143 9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.472 -2.030 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.994 -2.286 8.653 1.00 0.00 H new ATOM 564 N ASP A 36 -4.431 -0.843 7.729 1.00 0.00 N ATOM 565 CA ASP A 36 -5.835 -0.845 7.328 1.00 0.00 C ATOM 566 C ASP A 36 -5.961 -0.503 5.847 1.00 0.00 C ATOM 567 O ASP A 36 -6.710 -1.149 5.115 1.00 0.00 O ATOM 568 CB ASP A 36 -6.646 0.146 8.170 1.00 0.00 C ATOM 569 CG ASP A 36 -8.037 -0.368 8.494 1.00 0.00 C ATOM 570 OD1 ASP A 36 -8.153 -1.520 8.963 1.00 0.00 O ATOM 571 OD2 ASP A 36 -9.012 0.383 8.283 1.00 0.00 O ATOM 0 H ASP A 36 -4.170 -0.077 8.350 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.236 -1.845 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.113 0.351 9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.727 1.092 7.634 1.00 0.00 H new ATOM 576 N LEU A 37 -5.200 0.503 5.409 1.00 0.00 N ATOM 577 CA LEU A 37 -5.201 0.916 4.007 1.00 0.00 C ATOM 578 C LEU A 37 -4.866 -0.276 3.118 1.00 0.00 C ATOM 579 O LEU A 37 -5.551 -0.538 2.128 1.00 0.00 O ATOM 580 CB LEU A 37 -4.184 2.042 3.781 1.00 0.00 C ATOM 581 CG LEU A 37 -4.455 2.948 2.575 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.388 2.156 1.276 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.804 3.640 2.716 1.00 0.00 C ATOM 0 H LEU A 37 -4.576 1.045 6.006 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.193 1.287 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.150 2.661 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.196 1.597 3.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.680 3.714 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.584 2.820 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.396 1.717 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.136 1.363 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.978 4.279 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.593 2.890 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.809 4.247 3.621 1.00 0.00 H new ATOM 595 N ILE A 38 -3.817 -1.012 3.497 1.00 0.00 N ATOM 596 CA ILE A 38 -3.402 -2.196 2.748 1.00 0.00 C ATOM 597 C ILE A 38 -4.540 -3.215 2.708 1.00 0.00 C ATOM 598 O ILE A 38 -4.776 -3.858 1.684 1.00 0.00 O ATOM 599 CB ILE A 38 -2.144 -2.858 3.361 1.00 0.00 C ATOM 600 CG1 ILE A 38 -1.027 -1.825 3.561 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.657 -4.002 2.478 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.583 -1.152 2.279 1.00 0.00 C ATOM 0 H ILE A 38 -3.243 -0.808 4.315 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.155 -1.871 1.738 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.415 -3.263 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.370 -1.063 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.168 -2.316 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.772 -4.455 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.443 -4.752 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.408 -3.617 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.208 -0.435 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.209 -1.904 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.429 -0.632 1.829 1.00 0.00 H new ATOM 614 N ASP A 39 -5.251 -3.342 3.832 1.00 0.00 N ATOM 615 CA ASP A 39 -6.377 -4.265 3.935 1.00 0.00 C ATOM 616 C ASP A 39 -7.465 -3.908 2.927 1.00 0.00 C ATOM 617 O ASP A 39 -8.049 -4.788 2.302 1.00 0.00 O ATOM 618 CB ASP A 39 -6.957 -4.247 5.351 1.00 0.00 C ATOM 619 CG ASP A 39 -7.704 -5.524 5.683 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.043 -6.568 5.867 1.00 0.00 O ATOM 621 OD2 ASP A 39 -8.951 -5.482 5.759 1.00 0.00 O ATOM 0 H ASP A 39 -5.063 -2.814 4.684 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.011 -5.267 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.150 -4.103 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.631 -3.397 5.454 1.00 0.00 H new ATOM 626 N HIS A 40 -7.726 -2.609 2.771 1.00 0.00 N ATOM 627 CA HIS A 40 -8.741 -2.137 1.831 1.00 0.00 C ATOM 628 C HIS A 40 -8.406 -2.574 0.406 1.00 0.00 C ATOM 629 O HIS A 40 -9.287 -2.998 -0.345 1.00 0.00 O ATOM 630 CB HIS A 40 -8.864 -0.611 1.894 1.00 0.00 C ATOM 631 CG HIS A 40 -10.274 -0.112 1.771 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.360 -0.773 2.308 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.771 0.996 1.170 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.462 -0.094 2.043 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.132 0.983 1.355 1.00 0.00 N ATOM 0 H HIS A 40 -7.249 -1.867 3.283 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.695 -2.580 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.445 -0.261 2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.263 -0.174 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.203 1.749 0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.463 -0.373 2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.783 1.691 1.015 1.00 0.00 H new ATOM 644 N ILE A 41 -7.125 -2.474 0.042 1.00 0.00 N ATOM 645 CA ILE A 41 -6.671 -2.866 -1.291 1.00 0.00 C ATOM 646 C ILE A 41 -6.877 -4.363 -1.523 1.00 0.00 C ATOM 647 O ILE A 41 -7.140 -4.792 -2.644 1.00 0.00 O ATOM 648 CB ILE A 41 -5.178 -2.530 -1.513 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.882 -1.075 -1.134 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.784 -2.790 -2.962 1.00 0.00 C ATOM 651 CD1 ILE A 41 -5.735 -0.067 -1.872 1.00 0.00 C ATOM 0 H ILE A 41 -6.386 -2.125 0.652 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.270 -2.297 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.585 -3.178 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.034 -0.950 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.831 -0.864 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.730 -2.549 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.950 -3.840 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.389 -2.167 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.468 0.940 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.566 -0.163 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.787 -0.251 -1.653 1.00 0.00 H new ATOM 663 N VAL A 42 -6.745 -5.152 -0.459 1.00 0.00 N ATOM 664 CA VAL A 42 -6.905 -6.602 -0.548 1.00 0.00 C ATOM 665 C VAL A 42 -8.308 -7.060 -0.117 1.00 0.00 C ATOM 666 O VAL A 42 -8.625 -8.248 -0.195 1.00 0.00 O ATOM 667 CB VAL A 42 -5.846 -7.320 0.315 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.919 -8.828 0.123 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.451 -6.805 -0.013 1.00 0.00 C ATOM 0 H VAL A 42 -6.527 -4.811 0.477 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.769 -6.869 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.057 -7.102 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.163 -9.311 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.907 -9.184 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.740 -9.071 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.717 -7.323 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.233 -6.989 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.402 -5.734 0.186 1.00 0.00 H new ATOM 679 N SER A 43 -9.143 -6.126 0.344 1.00 0.00 N ATOM 680 CA SER A 43 -10.494 -6.462 0.788 1.00 0.00 C ATOM 681 C SER A 43 -11.519 -6.244 -0.325 1.00 0.00 C ATOM 682 O SER A 43 -12.003 -7.205 -0.926 1.00 0.00 O ATOM 683 CB SER A 43 -10.871 -5.636 2.023 1.00 0.00 C ATOM 684 OG SER A 43 -10.486 -6.298 3.215 1.00 0.00 O ATOM 0 H SER A 43 -8.907 -5.136 0.419 1.00 0.00 H new ATOM 0 HA SER A 43 -10.503 -7.520 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.388 -4.660 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.947 -5.460 2.032 1.00 0.00 H new ATOM 0 HG SER A 43 -9.982 -5.680 3.784 1.00 0.00 H new ATOM 690 N THR A 44 -11.852 -4.981 -0.593 1.00 0.00 N ATOM 691 CA THR A 44 -12.830 -4.650 -1.632 1.00 0.00 C ATOM 692 C THR A 44 -12.150 -4.376 -2.973 1.00 0.00 C ATOM 693 O THR A 44 -12.660 -4.768 -4.023 1.00 0.00 O ATOM 694 CB THR A 44 -13.686 -3.447 -1.208 1.00 0.00 C ATOM 695 OG1 THR A 44 -14.538 -3.035 -2.264 1.00 0.00 O ATOM 696 CG2 THR A 44 -12.879 -2.238 -0.777 1.00 0.00 C ATOM 0 H THR A 44 -11.461 -4.173 -0.108 1.00 0.00 H new ATOM 0 HA THR A 44 -13.482 -5.514 -1.759 1.00 0.00 H new ATOM 0 HB THR A 44 -14.256 -3.802 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.075 -2.269 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.555 -1.432 -0.493 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.253 -2.503 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.248 -1.909 -1.602 1.00 0.00 H new ATOM 704 N MET A 45 -10.998 -3.706 -2.933 1.00 0.00 N ATOM 705 CA MET A 45 -10.254 -3.386 -4.149 1.00 0.00 C ATOM 706 C MET A 45 -9.849 -4.659 -4.898 1.00 0.00 C ATOM 707 O MET A 45 -10.027 -4.751 -6.113 1.00 0.00 O ATOM 708 CB MET A 45 -9.013 -2.552 -3.810 1.00 0.00 C ATOM 709 CG MET A 45 -8.844 -1.321 -4.689 1.00 0.00 C ATOM 710 SD MET A 45 -7.138 -1.070 -5.217 1.00 0.00 S ATOM 711 CE MET A 45 -7.218 -1.651 -6.910 1.00 0.00 C ATOM 0 H MET A 45 -10.561 -3.375 -2.073 1.00 0.00 H new ATOM 0 HA MET A 45 -10.905 -2.802 -4.800 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.071 -2.238 -2.768 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.127 -3.180 -3.905 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.481 -1.417 -5.568 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.184 -0.441 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.517 -2.474 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.229 -1.995 -7.129 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.957 -0.837 -7.587 1.00 0.00 H new ATOM 721 N ILE A 46 -9.308 -5.637 -4.166 1.00 0.00 N ATOM 722 CA ILE A 46 -8.880 -6.901 -4.764 1.00 0.00 C ATOM 723 C ILE A 46 -9.445 -8.096 -3.997 1.00 0.00 C ATOM 724 O ILE A 46 -9.677 -8.014 -2.791 1.00 0.00 O ATOM 725 CB ILE A 46 -7.342 -7.018 -4.794 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.711 -5.752 -5.374 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.916 -8.239 -5.594 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.243 -5.608 -5.041 1.00 0.00 C ATOM 0 H ILE A 46 -9.157 -5.576 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.263 -6.909 -5.784 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.990 -7.135 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.832 -5.758 -6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.249 -4.882 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.828 -8.306 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.330 -9.137 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.284 -8.151 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.858 -4.689 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.117 -5.571 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.694 -6.461 -5.441 1.00 0.00 H new ATOM 740 N ASN A 47 -9.655 -9.209 -4.702 1.00 0.00 N ATOM 741 CA ASN A 47 -10.184 -10.426 -4.085 1.00 0.00 C ATOM 742 C ASN A 47 -10.008 -11.635 -5.010 1.00 0.00 C ATOM 743 O ASN A 47 -10.904 -12.475 -5.124 1.00 0.00 O ATOM 744 CB ASN A 47 -11.667 -10.245 -3.727 1.00 0.00 C ATOM 745 CG ASN A 47 -12.516 -9.805 -4.909 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.156 -10.024 -6.067 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.653 -9.181 -4.620 1.00 0.00 N ATOM 0 H ASN A 47 -9.467 -9.293 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.620 -10.611 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.058 -11.185 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.755 -9.507 -2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.265 -8.863 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.913 -9.020 -3.647 1.00 0.00 H new ATOM 754 N ASN A 48 -8.852 -11.718 -5.674 1.00 0.00 N ATOM 755 CA ASN A 48 -8.575 -12.821 -6.591 1.00 0.00 C ATOM 756 C ASN A 48 -7.233 -13.483 -6.281 1.00 0.00 C ATOM 757 O ASN A 48 -6.211 -12.803 -6.177 1.00 0.00 O ATOM 758 CB ASN A 48 -8.579 -12.319 -8.036 1.00 0.00 C ATOM 759 CG ASN A 48 -9.023 -13.388 -9.015 1.00 0.00 C ATOM 760 OD1 ASN A 48 -8.287 -14.334 -9.293 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.234 -13.244 -9.541 1.00 0.00 N ATOM 0 H ASN A 48 -8.097 -11.037 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.361 -13.565 -6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.242 -11.457 -8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.579 -11.978 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.587 -13.934 -10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.811 -12.444 -9.282 1.00 0.00 H new ATOM 768 N PRO A 49 -7.218 -14.827 -6.130 1.00 0.00 N ATOM 769 CA PRO A 49 -5.991 -15.583 -5.837 1.00 0.00 C ATOM 770 C PRO A 49 -4.968 -15.483 -6.967 1.00 0.00 C ATOM 771 O PRO A 49 -4.771 -16.429 -7.733 1.00 0.00 O ATOM 772 CB PRO A 49 -6.478 -17.032 -5.680 1.00 0.00 C ATOM 773 CG PRO A 49 -7.947 -16.928 -5.462 1.00 0.00 C ATOM 774 CD PRO A 49 -8.387 -15.718 -6.234 1.00 0.00 C ATOM 0 HA PRO A 49 -5.482 -15.199 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.252 -17.622 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.989 -17.523 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.459 -17.824 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.179 -16.822 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.620 -15.961 -7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.281 -15.266 -5.804 1.00 0.00 H new ATOM 782 N ASN A 50 -4.325 -14.323 -7.066 1.00 0.00 N ATOM 783 CA ASN A 50 -3.323 -14.075 -8.097 1.00 0.00 C ATOM 784 C ASN A 50 -2.620 -12.745 -7.848 1.00 0.00 C ATOM 785 O ASN A 50 -1.404 -12.699 -7.678 1.00 0.00 O ATOM 786 CB ASN A 50 -3.968 -14.068 -9.487 1.00 0.00 C ATOM 787 CG ASN A 50 -3.177 -14.882 -10.497 1.00 0.00 C ATOM 788 OD1 ASN A 50 -1.949 -14.810 -10.544 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.878 -15.663 -11.313 1.00 0.00 N ATOM 0 H ASN A 50 -4.482 -13.534 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.588 -14.879 -8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.980 -14.466 -9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.053 -13.040 -9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.399 -16.232 -12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.895 -15.694 -11.241 1.00 0.00 H new ATOM 796 N ASP A 51 -3.401 -11.667 -7.813 1.00 0.00 N ATOM 797 CA ASP A 51 -2.861 -10.331 -7.571 1.00 0.00 C ATOM 798 C ASP A 51 -2.645 -10.097 -6.078 1.00 0.00 C ATOM 799 O ASP A 51 -1.699 -9.417 -5.680 1.00 0.00 O ATOM 800 CB ASP A 51 -3.784 -9.242 -8.147 1.00 0.00 C ATOM 801 CG ASP A 51 -5.272 -9.523 -7.979 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.641 -10.349 -7.121 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.072 -8.905 -8.708 1.00 0.00 O ATOM 0 H ASP A 51 -4.411 -11.693 -7.949 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.899 -10.269 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.550 -8.293 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.567 -9.123 -9.209 1.00 0.00 H new ATOM 808 N VAL A 52 -3.524 -10.664 -5.255 1.00 0.00 N ATOM 809 CA VAL A 52 -3.421 -10.515 -3.812 1.00 0.00 C ATOM 810 C VAL A 52 -2.604 -11.655 -3.198 1.00 0.00 C ATOM 811 O VAL A 52 -1.861 -11.444 -2.242 1.00 0.00 O ATOM 812 CB VAL A 52 -4.823 -10.446 -3.162 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.832 -11.068 -1.774 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.302 -9.005 -3.102 1.00 0.00 C ATOM 0 H VAL A 52 -4.314 -11.230 -5.566 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.903 -9.577 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.507 -11.024 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.834 -11.000 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.538 -12.115 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.130 -10.535 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.290 -8.969 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.604 -8.414 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.356 -8.597 -4.111 1.00 0.00 H new ATOM 824 N SER A 53 -2.746 -12.860 -3.755 1.00 0.00 N ATOM 825 CA SER A 53 -2.016 -14.028 -3.259 1.00 0.00 C ATOM 826 C SER A 53 -0.502 -13.813 -3.330 1.00 0.00 C ATOM 827 O SER A 53 0.237 -14.287 -2.468 1.00 0.00 O ATOM 828 CB SER A 53 -2.399 -15.282 -4.051 1.00 0.00 C ATOM 829 OG SER A 53 -2.550 -16.401 -3.193 1.00 0.00 O ATOM 0 H SER A 53 -3.358 -13.052 -4.548 1.00 0.00 H new ATOM 0 HA SER A 53 -2.294 -14.167 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.330 -15.105 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.633 -15.493 -4.797 1.00 0.00 H new ATOM 0 HG SER A 53 -2.796 -17.188 -3.722 1.00 0.00 H new ATOM 835 N ILE A 54 -0.045 -13.099 -4.360 1.00 0.00 N ATOM 836 CA ILE A 54 1.382 -12.829 -4.528 1.00 0.00 C ATOM 837 C ILE A 54 1.799 -11.576 -3.753 1.00 0.00 C ATOM 838 O ILE A 54 2.893 -11.524 -3.189 1.00 0.00 O ATOM 839 CB ILE A 54 1.762 -12.667 -6.019 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.221 -13.844 -6.838 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.273 -12.562 -6.179 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.346 -13.656 -8.336 1.00 0.00 C ATOM 0 H ILE A 54 -0.639 -12.700 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 54 1.917 -13.691 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 54 1.311 -11.747 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.753 -14.750 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.171 -13.997 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.520 -12.449 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.638 -11.697 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.744 -13.465 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.942 -14.530 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.790 -12.769 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.396 -13.534 -8.601 1.00 0.00 H new ATOM 854 N PHE A 55 0.918 -10.574 -3.722 1.00 0.00 N ATOM 855 CA PHE A 55 1.192 -9.325 -3.007 1.00 0.00 C ATOM 856 C PHE A 55 1.206 -9.549 -1.492 1.00 0.00 C ATOM 857 O PHE A 55 2.003 -8.939 -0.776 1.00 0.00 O ATOM 858 CB PHE A 55 0.143 -8.268 -3.370 1.00 0.00 C ATOM 859 CG PHE A 55 0.530 -6.863 -2.992 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.526 -6.194 -3.685 1.00 0.00 C ATOM 861 CD2 PHE A 55 -0.109 -6.211 -1.949 1.00 0.00 C ATOM 862 CE1 PHE A 55 1.880 -4.902 -3.342 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.240 -4.919 -1.603 1.00 0.00 C ATOM 864 CZ PHE A 55 1.235 -4.263 -2.301 1.00 0.00 C ATOM 0 H PHE A 55 0.009 -10.603 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 55 2.178 -8.971 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.040 -8.307 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.796 -8.520 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.031 -6.687 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.889 -6.718 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.660 -4.393 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.265 -4.423 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.508 -3.253 -2.034 1.00 0.00 H new ATOM 874 N ILE A 56 0.318 -10.422 -1.011 1.00 0.00 N ATOM 875 CA ILE A 56 0.222 -10.720 0.416 1.00 0.00 C ATOM 876 C ILE A 56 0.299 -12.225 0.677 1.00 0.00 C ATOM 877 O ILE A 56 -0.423 -13.010 0.060 1.00 0.00 O ATOM 878 CB ILE A 56 -1.094 -10.173 1.017 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.228 -8.672 0.738 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.163 -10.448 2.516 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.180 -7.826 1.432 1.00 0.00 C ATOM 0 H ILE A 56 -0.345 -10.935 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 56 1.068 -10.229 0.897 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.927 -10.689 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.163 -8.504 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.217 -8.340 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.097 -10.054 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.118 -11.523 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.323 -9.964 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.339 -6.776 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.258 -7.963 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.812 -8.130 1.098 1.00 0.00 H new ATOM 893 N GLU A 57 1.170 -12.614 1.609 1.00 0.00 N ATOM 894 CA GLU A 57 1.341 -14.019 1.976 1.00 0.00 C ATOM 895 C GLU A 57 0.451 -14.376 3.173 1.00 0.00 C ATOM 896 O GLU A 57 -0.544 -13.695 3.435 1.00 0.00 O ATOM 897 CB GLU A 57 2.817 -14.312 2.287 1.00 0.00 C ATOM 898 CG GLU A 57 3.344 -13.596 3.524 1.00 0.00 C ATOM 899 CD GLU A 57 4.692 -14.124 3.982 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.623 -14.183 3.149 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.817 -14.473 5.174 1.00 0.00 O ATOM 0 H GLU A 57 1.771 -11.971 2.125 1.00 0.00 H new ATOM 0 HA GLU A 57 1.037 -14.639 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.943 -15.386 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.423 -14.024 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.430 -12.530 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.623 -13.703 4.334 1.00 0.00 H new ATOM 908 N ASP A 58 0.804 -15.446 3.894 1.00 0.00 N ATOM 909 CA ASP A 58 0.028 -15.881 5.055 1.00 0.00 C ATOM 910 C ASP A 58 0.107 -14.851 6.180 1.00 0.00 C ATOM 911 O ASP A 58 0.951 -14.952 7.073 1.00 0.00 O ATOM 912 CB ASP A 58 0.520 -17.248 5.549 1.00 0.00 C ATOM 913 CG ASP A 58 -0.069 -18.401 4.758 1.00 0.00 C ATOM 914 OD1 ASP A 58 0.013 -18.372 3.511 1.00 0.00 O ATOM 915 OD2 ASP A 58 -0.610 -19.336 5.385 1.00 0.00 O ATOM 0 H ASP A 58 1.620 -16.024 3.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.014 -15.974 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.607 -17.284 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.261 -17.365 6.601 1.00 0.00 H new ATOM 920 N ASP A 59 -0.782 -13.856 6.121 1.00 0.00 N ATOM 921 CA ASP A 59 -0.835 -12.790 7.121 1.00 0.00 C ATOM 922 C ASP A 59 0.478 -12.001 7.167 1.00 0.00 C ATOM 923 O ASP A 59 1.019 -11.736 8.242 1.00 0.00 O ATOM 924 CB ASP A 59 -1.164 -13.369 8.503 1.00 0.00 C ATOM 925 CG ASP A 59 -2.657 -13.489 8.744 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.369 -12.472 8.595 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.115 -14.600 9.082 1.00 0.00 O ATOM 0 H ASP A 59 -1.481 -13.768 5.383 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.627 -12.099 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.704 -14.352 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.725 -12.734 9.273 1.00 0.00 H new ATOM 932 N SER A 60 0.982 -11.624 5.989 1.00 0.00 N ATOM 933 CA SER A 60 2.227 -10.862 5.888 1.00 0.00 C ATOM 934 C SER A 60 2.511 -10.468 4.440 1.00 0.00 C ATOM 935 O SER A 60 1.780 -10.854 3.527 1.00 0.00 O ATOM 936 CB SER A 60 3.398 -11.679 6.445 1.00 0.00 C ATOM 937 OG SER A 60 3.850 -11.145 7.678 1.00 0.00 O ATOM 0 H SER A 60 0.546 -11.835 5.092 1.00 0.00 H new ATOM 0 HA SER A 60 2.114 -9.952 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.089 -12.715 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.217 -11.685 5.725 1.00 0.00 H new ATOM 0 HG SER A 60 3.114 -11.148 8.325 1.00 0.00 H new ATOM 943 N ILE A 61 3.578 -9.697 4.234 1.00 0.00 N ATOM 944 CA ILE A 61 3.959 -9.256 2.895 1.00 0.00 C ATOM 945 C ILE A 61 5.044 -10.161 2.313 1.00 0.00 C ATOM 946 O ILE A 61 5.820 -10.770 3.050 1.00 0.00 O ATOM 947 CB ILE A 61 4.464 -7.797 2.904 1.00 0.00 C ATOM 948 CG1 ILE A 61 3.446 -6.888 3.594 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.730 -7.313 1.485 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.996 -6.165 4.805 1.00 0.00 C ATOM 0 H ILE A 61 4.193 -9.366 4.977 1.00 0.00 H new ATOM 0 HA ILE A 61 3.067 -9.314 2.272 1.00 0.00 H new ATOM 0 HB ILE A 61 5.400 -7.760 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.084 -6.152 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.587 -7.485 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.085 -6.283 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.487 -7.945 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.809 -7.364 0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.217 -5.540 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.331 -6.894 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.837 -5.540 4.505 1.00 0.00 H new ATOM 962 N ARG A 62 5.093 -10.238 0.985 1.00 0.00 N ATOM 963 CA ARG A 62 6.086 -11.064 0.302 1.00 0.00 C ATOM 964 C ARG A 62 7.426 -10.336 0.204 1.00 0.00 C ATOM 965 O ARG A 62 7.491 -9.215 -0.305 1.00 0.00 O ATOM 966 CB ARG A 62 5.600 -11.444 -1.100 1.00 0.00 C ATOM 967 CG ARG A 62 5.624 -12.940 -1.370 1.00 0.00 C ATOM 968 CD ARG A 62 6.964 -13.387 -1.937 1.00 0.00 C ATOM 969 NE ARG A 62 7.188 -14.820 -1.749 1.00 0.00 N ATOM 970 CZ ARG A 62 6.627 -15.771 -2.503 1.00 0.00 C ATOM 971 NH1 ARG A 62 5.805 -15.447 -3.499 1.00 0.00 N ATOM 972 NH2 ARG A 62 6.888 -17.051 -2.259 1.00 0.00 N ATOM 0 H ARG A 62 4.458 -9.740 0.361 1.00 0.00 H new ATOM 0 HA ARG A 62 6.223 -11.973 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.583 -11.076 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.222 -10.940 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.421 -13.480 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.829 -13.197 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.005 -13.150 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.766 -12.828 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 62 7.811 -15.112 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.599 -14.467 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.381 -16.179 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.516 -17.307 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.460 -17.777 -2.834 1.00 0.00 H new ATOM 986 N PRO A 63 8.518 -10.966 0.692 1.00 0.00 N ATOM 987 CA PRO A 63 9.860 -10.370 0.652 1.00 0.00 C ATOM 988 C PRO A 63 10.253 -9.936 -0.758 1.00 0.00 C ATOM 989 O PRO A 63 10.563 -10.771 -1.612 1.00 0.00 O ATOM 990 CB PRO A 63 10.771 -11.500 1.141 1.00 0.00 C ATOM 991 CG PRO A 63 9.887 -12.372 1.962 1.00 0.00 C ATOM 992 CD PRO A 63 8.530 -12.305 1.318 1.00 0.00 C ATOM 0 HA PRO A 63 9.925 -9.467 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.203 -12.050 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.602 -11.112 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.259 -13.396 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.847 -12.026 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.395 -13.096 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.731 -12.414 2.051 1.00 0.00 H new ATOM 1000 N GLY A 64 10.225 -8.627 -0.994 1.00 0.00 N ATOM 1001 CA GLY A 64 10.567 -8.095 -2.303 1.00 0.00 C ATOM 1002 C GLY A 64 9.866 -6.781 -2.599 1.00 0.00 C ATOM 1003 O GLY A 64 10.407 -5.931 -3.309 1.00 0.00 O ATOM 0 H GLY A 64 9.971 -7.923 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.646 -7.949 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.302 -8.825 -3.068 1.00 0.00 H new ATOM 1007 N ILE A 65 8.659 -6.612 -2.052 1.00 0.00 N ATOM 1008 CA ILE A 65 7.886 -5.391 -2.259 1.00 0.00 C ATOM 1009 C ILE A 65 8.517 -4.214 -1.522 1.00 0.00 C ATOM 1010 O ILE A 65 8.787 -4.290 -0.322 1.00 0.00 O ATOM 1011 CB ILE A 65 6.421 -5.548 -1.793 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.803 -6.830 -2.362 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.600 -4.333 -2.207 1.00 0.00 C ATOM 1014 CD1 ILE A 65 4.379 -7.066 -1.909 1.00 0.00 C ATOM 0 H ILE A 65 8.199 -7.306 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 65 7.892 -5.198 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 65 6.414 -5.620 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.826 -6.783 -3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.416 -7.682 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.570 -4.458 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.023 -3.437 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.619 -4.234 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.005 -7.990 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.351 -7.145 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.753 -6.233 -2.228 1.00 0.00 H new ATOM 1026 N ILE A 66 8.748 -3.129 -2.256 1.00 0.00 N ATOM 1027 CA ILE A 66 9.349 -1.924 -1.696 1.00 0.00 C ATOM 1028 C ILE A 66 8.283 -0.865 -1.405 1.00 0.00 C ATOM 1029 O ILE A 66 7.410 -0.611 -2.235 1.00 0.00 O ATOM 1030 CB ILE A 66 10.399 -1.336 -2.665 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.515 -2.352 -2.931 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.979 -0.039 -2.116 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.195 -2.164 -4.270 1.00 0.00 C ATOM 0 H ILE A 66 8.525 -3.061 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 66 9.837 -2.204 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 66 9.901 -1.113 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.261 -2.276 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.099 -3.358 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.716 0.355 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.179 0.689 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.458 -0.232 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.974 -2.917 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.461 -2.269 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.641 -1.170 -4.315 1.00 0.00 H new ATOM 1045 N THR A 67 8.364 -0.247 -0.226 1.00 0.00 N ATOM 1046 CA THR A 67 7.405 0.788 0.164 1.00 0.00 C ATOM 1047 C THR A 67 8.105 1.960 0.855 1.00 0.00 C ATOM 1048 O THR A 67 9.070 1.767 1.598 1.00 0.00 O ATOM 1049 CB THR A 67 6.329 0.210 1.087 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.009 -1.123 0.723 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.044 1.009 1.074 1.00 0.00 C ATOM 0 H THR A 67 9.080 -0.444 0.473 1.00 0.00 H new ATOM 0 HA THR A 67 6.932 1.156 -0.746 1.00 0.00 H new ATOM 0 HB THR A 67 6.758 0.249 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.108 -1.150 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.322 0.548 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.246 2.029 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.637 1.027 0.063 1.00 0.00 H new ATOM 1059 N LEU A 68 7.611 3.176 0.602 1.00 0.00 N ATOM 1060 CA LEU A 68 8.189 4.383 1.194 1.00 0.00 C ATOM 1061 C LEU A 68 7.103 5.366 1.632 1.00 0.00 C ATOM 1062 O LEU A 68 6.241 5.747 0.837 1.00 0.00 O ATOM 1063 CB LEU A 68 9.133 5.062 0.195 1.00 0.00 C ATOM 1064 CG LEU A 68 10.328 4.215 -0.253 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.091 4.914 -1.368 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.248 3.923 0.925 1.00 0.00 C ATOM 0 H LEU A 68 6.813 3.349 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 68 8.751 4.083 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.559 5.347 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.508 5.983 0.642 1.00 0.00 H new ATOM 0 HG LEU A 68 9.952 3.267 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.936 4.297 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.429 5.069 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.455 5.877 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.091 3.320 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.616 4.861 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.696 3.378 1.691 1.00 0.00 H new ATOM 1078 N ILE A 69 7.155 5.779 2.900 1.00 0.00 N ATOM 1079 CA ILE A 69 6.180 6.724 3.446 1.00 0.00 C ATOM 1080 C ILE A 69 6.761 8.140 3.504 1.00 0.00 C ATOM 1081 O ILE A 69 7.547 8.458 4.398 1.00 0.00 O ATOM 1082 CB ILE A 69 5.717 6.317 4.865 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.460 4.810 4.943 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.465 7.091 5.259 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.013 4.338 6.312 1.00 0.00 C ATOM 0 H ILE A 69 7.863 5.473 3.568 1.00 0.00 H new ATOM 0 HA ILE A 69 5.321 6.706 2.776 1.00 0.00 H new ATOM 0 HB ILE A 69 6.514 6.563 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.699 4.542 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.371 4.280 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.153 6.793 6.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.680 8.160 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.666 6.875 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.850 3.260 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.782 4.574 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.084 4.840 6.585 1.00 0.00 H new ATOM 1097 N ASN A 70 6.365 8.984 2.547 1.00 0.00 N ATOM 1098 CA ASN A 70 6.838 10.371 2.482 1.00 0.00 C ATOM 1099 C ASN A 70 8.358 10.433 2.335 1.00 0.00 C ATOM 1100 O ASN A 70 9.051 11.002 3.180 1.00 0.00 O ATOM 1101 CB ASN A 70 6.396 11.149 3.729 1.00 0.00 C ATOM 1102 CG ASN A 70 5.109 11.917 3.507 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.071 11.332 3.205 1.00 0.00 O ATOM 1104 ND2 ASN A 70 5.169 13.238 3.656 1.00 0.00 N ATOM 0 H ASN A 70 5.715 8.730 1.803 1.00 0.00 H new ATOM 0 HA ASN A 70 6.393 10.832 1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.263 10.454 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.185 11.844 4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.332 13.805 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.052 13.683 3.907 1.00 0.00 H new ATOM 1111 N ASP A 71 8.871 9.840 1.255 1.00 0.00 N ATOM 1112 CA ASP A 71 10.312 9.821 0.993 1.00 0.00 C ATOM 1113 C ASP A 71 11.078 9.169 2.151 1.00 0.00 C ATOM 1114 O ASP A 71 12.257 9.455 2.368 1.00 0.00 O ATOM 1115 CB ASP A 71 10.824 11.245 0.752 1.00 0.00 C ATOM 1116 CG ASP A 71 10.637 11.688 -0.685 1.00 0.00 C ATOM 1117 OD1 ASP A 71 11.438 11.268 -1.546 1.00 0.00 O ATOM 1118 OD2 ASP A 71 9.685 12.452 -0.951 1.00 0.00 O ATOM 0 H ASP A 71 8.310 9.366 0.547 1.00 0.00 H new ATOM 0 HA ASP A 71 10.485 9.224 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.299 11.934 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.881 11.297 1.011 1.00 0.00 H new ATOM 1123 N THR A 72 10.399 8.287 2.887 1.00 0.00 N ATOM 1124 CA THR A 72 11.007 7.590 4.016 1.00 0.00 C ATOM 1125 C THR A 72 10.740 6.089 3.910 1.00 0.00 C ATOM 1126 O THR A 72 9.992 5.650 3.035 1.00 0.00 O ATOM 1127 CB THR A 72 10.460 8.138 5.344 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.042 9.487 5.211 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.464 8.090 6.473 1.00 0.00 C ATOM 0 H THR A 72 9.424 8.040 2.718 1.00 0.00 H new ATOM 0 HA THR A 72 12.084 7.758 3.992 1.00 0.00 H new ATOM 0 HB THR A 72 9.621 7.487 5.588 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.166 9.516 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.012 8.492 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.768 7.058 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.338 8.686 6.209 1.00 0.00 H new ATOM 1137 N ASP A 73 11.351 5.305 4.797 1.00 0.00 N ATOM 1138 CA ASP A 73 11.171 3.852 4.784 1.00 0.00 C ATOM 1139 C ASP A 73 9.849 3.446 5.438 1.00 0.00 C ATOM 1140 O ASP A 73 9.280 4.196 6.233 1.00 0.00 O ATOM 1141 CB ASP A 73 12.333 3.161 5.505 1.00 0.00 C ATOM 1142 CG ASP A 73 13.442 2.747 4.557 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.151 2.022 3.581 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.602 3.145 4.793 1.00 0.00 O ATOM 0 H ASP A 73 11.972 5.648 5.530 1.00 0.00 H new ATOM 0 HA ASP A 73 11.151 3.535 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.738 3.833 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.959 2.281 6.028 1.00 0.00 H new ATOM 1149 N TRP A 74 9.366 2.251 5.093 1.00 0.00 N ATOM 1150 CA TRP A 74 8.112 1.737 5.643 1.00 0.00 C ATOM 1151 C TRP A 74 8.323 1.197 7.055 1.00 0.00 C ATOM 1152 O TRP A 74 7.709 1.677 8.009 1.00 0.00 O ATOM 1153 CB TRP A 74 7.543 0.636 4.740 1.00 0.00 C ATOM 1154 CG TRP A 74 6.065 0.747 4.518 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.393 1.816 4.001 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.075 -0.251 4.801 1.00 0.00 C ATOM 1157 NE1 TRP A 74 4.048 1.546 3.944 1.00 0.00 N ATOM 1158 CE2 TRP A 74 3.827 0.284 4.428 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.121 -1.545 5.330 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 2.639 -0.428 4.569 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 3.940 -2.250 5.470 1.00 0.00 C ATOM 1162 CH2 TRP A 74 2.714 -1.690 5.089 1.00 0.00 C ATOM 0 H TRP A 74 9.825 1.621 4.435 1.00 0.00 H new ATOM 0 HA TRP A 74 7.399 2.560 5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.050 0.670 3.776 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.764 -0.335 5.182 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.852 2.740 3.683 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.330 2.182 3.597 1.00 0.00 H new ATOM 0 HE3 TRP A 74 6.062 -1.986 5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.692 0.001 4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 3.963 -3.249 5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.809 -2.267 5.209 1.00 0.00 H new ATOM 1173 N GLU A 75 9.198 0.196 7.179 1.00 0.00 N ATOM 1174 CA GLU A 75 9.500 -0.416 8.476 1.00 0.00 C ATOM 1175 C GLU A 75 10.047 0.618 9.461 1.00 0.00 C ATOM 1176 O GLU A 75 9.737 0.571 10.651 1.00 0.00 O ATOM 1177 CB GLU A 75 10.501 -1.567 8.318 1.00 0.00 C ATOM 1178 CG GLU A 75 11.699 -1.238 7.433 1.00 0.00 C ATOM 1179 CD GLU A 75 12.851 -2.208 7.622 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.673 -3.408 7.322 1.00 0.00 O ATOM 1181 OE2 GLU A 75 13.932 -1.768 8.069 1.00 0.00 O ATOM 0 H GLU A 75 9.711 -0.209 6.396 1.00 0.00 H new ATOM 0 HA GLU A 75 8.567 -0.814 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.862 -1.858 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.982 -2.430 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.388 -1.249 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.041 -0.227 7.653 1.00 0.00 H new ATOM 1188 N LEU A 76 10.858 1.552 8.955 1.00 0.00 N ATOM 1189 CA LEU A 76 11.441 2.602 9.792 1.00 0.00 C ATOM 1190 C LEU A 76 10.348 3.454 10.440 1.00 0.00 C ATOM 1191 O LEU A 76 10.531 3.976 11.541 1.00 0.00 O ATOM 1192 CB LEU A 76 12.378 3.490 8.964 1.00 0.00 C ATOM 1193 CG LEU A 76 13.788 3.669 9.536 1.00 0.00 C ATOM 1194 CD1 LEU A 76 13.740 4.409 10.865 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.482 2.322 9.697 1.00 0.00 C ATOM 0 H LEU A 76 11.125 1.601 7.972 1.00 0.00 H new ATOM 0 HA LEU A 76 12.017 2.121 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.461 3.067 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.920 4.473 8.858 1.00 0.00 H new ATOM 0 HG LEU A 76 14.365 4.268 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.752 4.525 11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.293 5.392 10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.141 3.840 11.577 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.481 2.474 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.905 1.694 10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.557 1.833 8.726 1.00 0.00 H new ATOM 1207 N GLU A 77 9.207 3.580 9.756 1.00 0.00 N ATOM 1208 CA GLU A 77 8.082 4.357 10.273 1.00 0.00 C ATOM 1209 C GLU A 77 7.098 3.462 11.035 1.00 0.00 C ATOM 1210 O GLU A 77 5.901 3.755 11.100 1.00 0.00 O ATOM 1211 CB GLU A 77 7.364 5.074 9.125 1.00 0.00 C ATOM 1212 CG GLU A 77 6.827 6.446 9.501 1.00 0.00 C ATOM 1213 CD GLU A 77 7.909 7.507 9.534 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.421 7.870 8.453 1.00 0.00 O ATOM 1215 OE2 GLU A 77 8.248 7.975 10.643 1.00 0.00 O ATOM 0 H GLU A 77 9.040 3.154 8.844 1.00 0.00 H new ATOM 0 HA GLU A 77 8.473 5.100 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.053 5.181 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.538 4.452 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.058 6.739 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.349 6.389 10.479 1.00 0.00 H new ATOM 1222 N GLY A 78 7.607 2.372 11.617 1.00 0.00 N ATOM 1223 CA GLY A 78 6.761 1.461 12.370 1.00 0.00 C ATOM 1224 C GLY A 78 6.164 0.350 11.527 1.00 0.00 C ATOM 1225 O GLY A 78 5.526 -0.555 12.061 1.00 0.00 O ATOM 0 H GLY A 78 8.591 2.107 11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.345 1.019 13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.954 2.028 12.834 1.00 0.00 H new ATOM 1229 N GLU A 79 6.365 0.414 10.208 1.00 0.00 N ATOM 1230 CA GLU A 79 5.837 -0.593 9.291 1.00 0.00 C ATOM 1231 C GLU A 79 4.311 -0.530 9.227 1.00 0.00 C ATOM 1232 O GLU A 79 3.749 -0.085 8.227 1.00 0.00 O ATOM 1233 CB GLU A 79 6.300 -2.001 9.691 1.00 0.00 C ATOM 1234 CG GLU A 79 5.938 -3.073 8.675 1.00 0.00 C ATOM 1235 CD GLU A 79 5.803 -4.447 9.298 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.846 -5.083 9.565 1.00 0.00 O ATOM 1237 OE2 GLU A 79 4.656 -4.890 9.520 1.00 0.00 O ATOM 0 H GLU A 79 6.893 1.158 9.752 1.00 0.00 H new ATOM 0 HA GLU A 79 6.230 -0.374 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.381 -1.993 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.858 -2.260 10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.000 -2.805 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.702 -3.104 7.898 1.00 0.00 H new ATOM 1244 N LYS A 80 3.644 -0.977 10.292 1.00 0.00 N ATOM 1245 CA LYS A 80 2.190 -0.963 10.338 1.00 0.00 C ATOM 1246 C LYS A 80 1.658 -0.049 11.449 1.00 0.00 C ATOM 1247 O LYS A 80 0.568 0.512 11.316 1.00 0.00 O ATOM 1248 CB LYS A 80 1.650 -2.379 10.520 1.00 0.00 C ATOM 1249 CG LYS A 80 0.133 -2.442 10.497 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.377 -3.848 10.767 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.106 -4.778 9.592 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.096 -4.597 8.493 1.00 0.00 N ATOM 0 H LYS A 80 4.090 -1.351 11.129 1.00 0.00 H new ATOM 0 HA LYS A 80 1.840 -0.563 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.047 -3.018 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.011 -2.781 11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.271 -1.759 11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.230 -2.103 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.102 -4.244 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.448 -3.815 10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.898 -4.594 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.132 -5.812 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.222 -5.497 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.007 -4.294 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.751 -3.874 7.830 1.00 0.00 H new ATOM 1266 N ASP A 81 2.418 0.105 12.540 1.00 0.00 N ATOM 1267 CA ASP A 81 1.997 0.962 13.654 1.00 0.00 C ATOM 1268 C ASP A 81 2.252 2.442 13.334 1.00 0.00 C ATOM 1269 O ASP A 81 2.912 3.155 14.092 1.00 0.00 O ATOM 1270 CB ASP A 81 2.712 0.559 14.957 1.00 0.00 C ATOM 1271 CG ASP A 81 4.218 0.445 14.800 1.00 0.00 C ATOM 1272 OD1 ASP A 81 4.908 1.480 14.886 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.706 -0.683 14.603 1.00 0.00 O ATOM 0 H ASP A 81 3.321 -0.349 12.675 1.00 0.00 H new ATOM 0 HA ASP A 81 0.925 0.824 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.488 1.295 15.730 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.315 -0.396 15.302 1.00 0.00 H new ATOM 1278 N TYR A 82 1.706 2.892 12.203 1.00 0.00 N ATOM 1279 CA TYR A 82 1.845 4.276 11.756 1.00 0.00 C ATOM 1280 C TYR A 82 0.463 4.882 11.528 1.00 0.00 C ATOM 1281 O TYR A 82 -0.269 4.455 10.630 1.00 0.00 O ATOM 1282 CB TYR A 82 2.676 4.335 10.465 1.00 0.00 C ATOM 1283 CG TYR A 82 2.671 5.689 9.781 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.488 6.721 10.230 1.00 0.00 C ATOM 1285 CD2 TYR A 82 1.849 5.931 8.688 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.483 7.955 9.608 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.840 7.160 8.061 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.658 8.170 8.524 1.00 0.00 C ATOM 1289 OH TYR A 82 2.655 9.397 7.903 1.00 0.00 O ATOM 0 H TYR A 82 1.156 2.307 11.573 1.00 0.00 H new ATOM 0 HA TYR A 82 2.362 4.851 12.524 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.705 4.062 10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.297 3.588 9.768 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.136 6.555 11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.206 5.144 8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.122 8.747 9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.195 7.331 7.211 1.00 0.00 H new ATOM 0 HH TYR A 82 1.769 9.568 7.520 1.00 0.00 H new ATOM 1299 N ILE A 83 0.105 5.868 12.348 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.195 6.523 12.239 1.00 0.00 C ATOM 1301 C ILE A 83 -1.349 7.200 10.878 1.00 0.00 C ATOM 1302 O ILE A 83 -0.478 7.966 10.458 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.403 7.571 13.356 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.178 6.948 14.739 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.797 8.172 13.264 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.361 7.822 15.666 1.00 0.00 C ATOM 0 H ILE A 83 0.698 6.230 13.095 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.952 5.746 12.347 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.670 8.366 13.219 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.145 6.746 15.200 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.675 5.988 14.620 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.929 8.908 14.057 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.921 8.656 12.295 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.541 7.383 13.374 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.240 7.321 16.626 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.619 8.003 15.225 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.873 8.773 15.815 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.455 6.911 10.189 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.711 7.493 8.875 1.00 0.00 C ATOM 1320 C LEU A 84 -2.874 9.012 8.974 1.00 0.00 C ATOM 1321 O LEU A 84 -2.884 9.576 10.070 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.957 6.863 8.237 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.739 5.496 7.570 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -5.023 5.010 6.908 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.608 5.565 6.551 1.00 0.00 C ATOM 0 H LEU A 84 -3.184 6.279 10.520 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.851 7.281 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.722 6.755 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.350 7.553 7.491 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.459 4.782 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.847 4.041 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.806 4.914 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.335 5.727 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.472 4.586 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.856 6.296 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.686 5.863 7.050 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.999 9.666 7.820 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.155 11.114 7.761 1.00 0.00 C ATOM 1339 C GLU A 85 -3.486 11.552 6.337 1.00 0.00 C ATOM 1340 O GLU A 85 -2.611 11.586 5.468 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.878 11.817 8.233 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.053 13.311 8.468 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.565 13.753 9.835 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.987 13.146 10.843 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.760 14.706 9.899 1.00 0.00 O ATOM 0 H GLU A 85 -2.995 9.209 6.908 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.974 11.394 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.537 11.350 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.094 11.664 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.511 13.861 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.107 13.570 8.362 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.755 11.875 6.108 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.220 12.309 4.789 1.00 0.00 C ATOM 1354 C ASP A 86 -4.282 13.357 4.195 1.00 0.00 C ATOM 1355 O ASP A 86 -4.164 14.469 4.716 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.645 12.870 4.872 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.768 14.024 5.849 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.770 13.771 7.072 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -6.862 15.181 5.390 1.00 0.00 O ATOM 0 H ASP A 86 -5.485 11.845 6.820 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.223 11.436 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.957 13.203 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.327 12.074 5.170 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.610 12.988 3.105 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.680 13.894 2.453 1.00 0.00 C ATOM 1366 C GLY A 87 -1.232 13.455 2.601 1.00 0.00 C ATOM 1367 O GLY A 87 -0.319 14.280 2.515 1.00 0.00 O ATOM 0 H GLY A 87 -3.695 12.073 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.928 13.963 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.797 14.893 2.873 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.020 12.154 2.825 1.00 0.00 N ATOM 1372 CA ASP A 88 0.325 11.612 2.987 1.00 0.00 C ATOM 1373 C ASP A 88 0.799 10.910 1.714 1.00 0.00 C ATOM 1374 O ASP A 88 0.061 10.818 0.729 1.00 0.00 O ATOM 1375 CB ASP A 88 0.362 10.635 4.168 1.00 0.00 C ATOM 1376 CG ASP A 88 1.092 11.192 5.379 1.00 0.00 C ATOM 1377 OD1 ASP A 88 2.059 11.963 5.199 1.00 0.00 O ATOM 1378 OD2 ASP A 88 0.697 10.849 6.510 1.00 0.00 O ATOM 0 H ASP A 88 -1.765 11.461 2.898 1.00 0.00 H new ATOM 0 HA ASP A 88 1.000 12.444 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.659 10.379 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.846 9.711 3.852 1.00 0.00 H new ATOM 1383 N ILE A 89 2.040 10.420 1.741 1.00 0.00 N ATOM 1384 CA ILE A 89 2.627 9.729 0.596 1.00 0.00 C ATOM 1385 C ILE A 89 3.059 8.309 0.964 1.00 0.00 C ATOM 1386 O ILE A 89 3.724 8.101 1.979 1.00 0.00 O ATOM 1387 CB ILE A 89 3.854 10.490 0.047 1.00 0.00 C ATOM 1388 CG1 ILE A 89 3.552 11.986 -0.094 1.00 0.00 C ATOM 1389 CG2 ILE A 89 4.291 9.908 -1.290 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.427 12.294 -1.061 1.00 0.00 C ATOM 0 H ILE A 89 2.659 10.491 2.549 1.00 0.00 H new ATOM 0 HA ILE A 89 1.854 9.686 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 89 4.670 10.373 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.297 12.390 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.454 12.500 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.156 10.457 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.555 8.858 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.474 9.991 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.272 13.372 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.687 11.922 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.512 11.810 -0.720 1.00 0.00 H new ATOM 1402 N ILE A 90 2.683 7.340 0.125 1.00 0.00 N ATOM 1403 CA ILE A 90 3.037 5.938 0.347 1.00 0.00 C ATOM 1404 C ILE A 90 3.337 5.240 -0.983 1.00 0.00 C ATOM 1405 O ILE A 90 2.432 4.731 -1.647 1.00 0.00 O ATOM 1406 CB ILE A 90 1.912 5.180 1.087 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.590 5.869 2.416 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.301 3.725 1.322 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.464 5.214 3.184 1.00 0.00 C ATOM 0 H ILE A 90 2.131 7.503 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 90 3.930 5.924 0.971 1.00 0.00 H new ATOM 0 HB ILE A 90 1.020 5.196 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.485 5.876 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.328 6.909 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.493 3.212 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.481 3.237 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.207 3.684 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.293 5.757 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.445 5.230 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.730 4.182 3.411 1.00 0.00 H new ATOM 1421 N SER A 91 4.612 5.232 -1.370 1.00 0.00 N ATOM 1422 CA SER A 91 5.037 4.611 -2.627 1.00 0.00 C ATOM 1423 C SER A 91 5.159 3.095 -2.495 1.00 0.00 C ATOM 1424 O SER A 91 5.480 2.580 -1.425 1.00 0.00 O ATOM 1425 CB SER A 91 6.376 5.197 -3.081 1.00 0.00 C ATOM 1426 OG SER A 91 6.348 6.615 -3.059 1.00 0.00 O ATOM 0 H SER A 91 5.371 5.649 -0.831 1.00 0.00 H new ATOM 0 HA SER A 91 4.272 4.825 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.173 4.836 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.605 4.851 -4.089 1.00 0.00 H new ATOM 0 HG SER A 91 7.216 6.964 -3.352 1.00 0.00 H new ATOM 1432 N PHE A 92 4.905 2.389 -3.600 1.00 0.00 N ATOM 1433 CA PHE A 92 4.989 0.930 -3.626 1.00 0.00 C ATOM 1434 C PHE A 92 5.743 0.452 -4.868 1.00 0.00 C ATOM 1435 O PHE A 92 5.137 0.156 -5.901 1.00 0.00 O ATOM 1436 CB PHE A 92 3.587 0.312 -3.593 1.00 0.00 C ATOM 1437 CG PHE A 92 3.010 0.196 -2.211 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.446 -0.795 -1.346 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.031 1.076 -1.779 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.915 -0.905 -0.075 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.497 0.970 -0.510 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.940 -0.021 0.344 1.00 0.00 C ATOM 0 H PHE A 92 4.639 2.808 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 92 5.538 0.607 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.919 0.916 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.626 -0.679 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.209 -1.488 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.682 1.854 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.262 -1.682 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.734 1.661 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.525 -0.105 1.337 1.00 0.00 H new ATOM 1452 N THR A 93 7.068 0.379 -4.758 1.00 0.00 N ATOM 1453 CA THR A 93 7.912 -0.064 -5.867 1.00 0.00 C ATOM 1454 C THR A 93 8.135 -1.574 -5.803 1.00 0.00 C ATOM 1455 O THR A 93 8.242 -2.146 -4.719 1.00 0.00 O ATOM 1456 CB THR A 93 9.265 0.661 -5.835 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.123 1.984 -5.341 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.933 0.746 -7.191 1.00 0.00 C ATOM 0 H THR A 93 7.582 0.621 -3.911 1.00 0.00 H new ATOM 0 HA THR A 93 7.401 0.178 -6.799 1.00 0.00 H new ATOM 0 HB THR A 93 9.892 0.062 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.998 2.424 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.884 1.270 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.109 -0.259 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.287 1.289 -7.881 1.00 0.00 H new ATOM 1466 N SER A 94 8.208 -2.216 -6.968 1.00 0.00 N ATOM 1467 CA SER A 94 8.421 -3.660 -7.031 1.00 0.00 C ATOM 1468 C SER A 94 9.204 -4.041 -8.286 1.00 0.00 C ATOM 1469 O SER A 94 8.630 -4.484 -9.282 1.00 0.00 O ATOM 1470 CB SER A 94 7.079 -4.397 -6.991 1.00 0.00 C ATOM 1471 OG SER A 94 6.627 -4.558 -5.657 1.00 0.00 O ATOM 0 H SER A 94 8.123 -1.761 -7.877 1.00 0.00 H new ATOM 0 HA SER A 94 9.009 -3.957 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.338 -3.841 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.182 -5.374 -7.464 1.00 0.00 H new ATOM 0 HG SER A 94 7.035 -3.872 -5.088 1.00 0.00 H new ATOM 1477 N THR A 95 10.523 -3.862 -8.226 1.00 0.00 N ATOM 1478 CA THR A 95 11.400 -4.182 -9.351 1.00 0.00 C ATOM 1479 C THR A 95 11.798 -5.656 -9.339 1.00 0.00 C ATOM 1480 O THR A 95 11.606 -6.364 -10.328 1.00 0.00 O ATOM 1481 CB THR A 95 12.656 -3.302 -9.316 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.018 -2.993 -7.980 1.00 0.00 O ATOM 1483 CG2 THR A 95 12.491 -1.997 -10.063 1.00 0.00 C ATOM 0 H THR A 95 11.009 -3.496 -7.407 1.00 0.00 H new ATOM 0 HA THR A 95 10.849 -3.983 -10.270 1.00 0.00 H new ATOM 0 HB THR A 95 13.433 -3.888 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.490 -2.229 -7.666 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.415 -1.422 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.263 -2.203 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.676 -1.425 -9.620 1.00 0.00 H new