USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 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 43 ASN :FLIP amide:sc= 0.433 F(o=-3.6,f=-0.086) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= 0.657 F(o=-1.9,f=-0.086) USER MOD Set 1.3: A 77 ASN :FLIP amide:sc= -1.18! C(o=-1.9!,f=-0.086!) USER MOD Set 2.1: A 52 THR OG1 : rot 35:sc= 0.0617 USER MOD Set 2.2: A 55 CYS SG : rot 82:sc= 0.326 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -64:sc= 1.33 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00446 X(o=-0.0045,f=-0.056) USER MOD Single : A 29 SER OG : rot -140:sc= 0 USER MOD Single : A 34 TYR OH : rot 22:sc= 0.127 USER MOD Single : A 37 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.086) USER MOD Single : A 41 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.21) USER MOD Single : A 42 ASN : amide:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -152:sc= -0.0531 (180deg=-0.605) USER MOD Single : A 49 THR OG1 : rot 88:sc= 1.29 USER MOD Single : A 50 MET CE :methyl 142:sc=-0.00458 (180deg=-0.401) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -164:sc= -0.0485 (180deg=-0.383) USER MOD Single : A 60 MET CE :methyl -173:sc=-0.00982 (180deg=-0.0865) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 134:sc= 1.33 (180deg=0.883) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.976 USER MOD Single : A 93 MET CE :methyl -135:sc= 0 (180deg=-1.06) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.079 -0.356 -9.951 1.00 0.00 N ATOM 52 CA LYS A 5 16.702 0.678 -8.998 1.00 0.00 C ATOM 53 C LYS A 5 15.199 0.858 -9.065 1.00 0.00 C ATOM 54 O LYS A 5 14.611 0.734 -10.142 1.00 0.00 O ATOM 55 CB LYS A 5 17.412 2.002 -9.319 1.00 0.00 C ATOM 56 CG LYS A 5 17.328 2.983 -8.139 1.00 0.00 C ATOM 57 CD LYS A 5 17.826 4.382 -8.499 1.00 0.00 C ATOM 58 CE LYS A 5 17.640 5.261 -7.257 1.00 0.00 C ATOM 59 NZ LYS A 5 17.934 6.682 -7.512 1.00 0.00 N ATOM 0 HA LYS A 5 17.002 0.379 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.457 1.807 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.961 2.454 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.295 3.046 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.916 2.595 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.874 4.353 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.266 4.785 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.614 5.166 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.289 4.898 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.792 7.228 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.921 6.782 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.298 7.041 -8.252 1.00 0.00 H new ATOM 73 N VAL A 6 14.610 1.185 -7.921 1.00 0.00 N ATOM 74 CA VAL A 6 13.198 1.461 -7.723 1.00 0.00 C ATOM 75 C VAL A 6 13.075 2.762 -6.909 1.00 0.00 C ATOM 76 O VAL A 6 13.987 3.143 -6.176 1.00 0.00 O ATOM 77 CB VAL A 6 12.583 0.221 -7.036 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.076 0.344 -6.805 1.00 0.00 C ATOM 79 CG2 VAL A 6 12.811 -1.034 -7.887 1.00 0.00 C ATOM 0 H VAL A 6 15.142 1.269 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 6 12.650 1.624 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 6 13.082 0.148 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.707 -0.560 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.875 1.206 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.571 0.474 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.371 -1.897 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.343 -0.902 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.881 -1.196 -8.017 1.00 0.00 H new ATOM 89 N THR A 7 11.946 3.458 -7.030 1.00 0.00 N ATOM 90 CA THR A 7 11.611 4.694 -6.331 1.00 0.00 C ATOM 91 C THR A 7 10.161 4.606 -5.868 1.00 0.00 C ATOM 92 O THR A 7 9.426 3.712 -6.290 1.00 0.00 O ATOM 93 CB THR A 7 11.825 5.892 -7.279 1.00 0.00 C ATOM 94 OG1 THR A 7 10.904 5.911 -8.358 1.00 0.00 O ATOM 95 CG2 THR A 7 13.228 5.915 -7.882 1.00 0.00 C ATOM 0 H THR A 7 11.199 3.156 -7.655 1.00 0.00 H new ATOM 0 HA THR A 7 12.253 4.835 -5.461 1.00 0.00 H new ATOM 0 HB THR A 7 11.672 6.767 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.042 5.120 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.327 6.777 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.966 5.983 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.394 5.001 -8.453 1.00 0.00 H new ATOM 103 N LYS A 8 9.680 5.541 -5.042 1.00 0.00 N ATOM 104 CA LYS A 8 8.297 5.513 -4.596 1.00 0.00 C ATOM 105 C LYS A 8 7.330 5.619 -5.763 1.00 0.00 C ATOM 106 O LYS A 8 6.235 5.080 -5.711 1.00 0.00 O ATOM 107 CB LYS A 8 8.041 6.620 -3.585 1.00 0.00 C ATOM 108 CG LYS A 8 8.449 8.022 -4.037 1.00 0.00 C ATOM 109 CD LYS A 8 7.414 9.089 -3.652 1.00 0.00 C ATOM 110 CE LYS A 8 7.797 9.848 -2.382 1.00 0.00 C ATOM 111 NZ LYS A 8 8.653 11.012 -2.681 1.00 0.00 N ATOM 0 H LYS A 8 10.229 6.318 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 8 8.124 4.551 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.979 6.629 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.577 6.382 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.411 8.277 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.585 8.026 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.304 9.796 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.444 8.614 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.894 10.182 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.320 9.177 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.893 11.503 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.526 10.691 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.144 11.664 -3.312 1.00 0.00 H new ATOM 125 N GLU A 9 7.757 6.285 -6.823 1.00 0.00 N ATOM 126 CA GLU A 9 7.029 6.486 -8.060 1.00 0.00 C ATOM 127 C GLU A 9 6.730 5.139 -8.725 1.00 0.00 C ATOM 128 O GLU A 9 5.621 4.910 -9.212 1.00 0.00 O ATOM 129 CB GLU A 9 7.917 7.391 -8.929 1.00 0.00 C ATOM 130 CG GLU A 9 7.130 8.422 -9.735 1.00 0.00 C ATOM 131 CD GLU A 9 8.019 9.612 -10.095 1.00 0.00 C ATOM 132 OE1 GLU A 9 8.501 10.286 -9.152 1.00 0.00 O ATOM 133 OE2 GLU A 9 8.225 9.836 -11.315 1.00 0.00 O ATOM 0 H GLU A 9 8.677 6.725 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 9 6.059 6.957 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.631 7.910 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.495 6.770 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.742 7.962 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.270 8.764 -9.159 1.00 0.00 H new ATOM 141 N ASP A 10 7.702 4.224 -8.686 1.00 0.00 N ATOM 142 CA ASP A 10 7.596 2.867 -9.204 1.00 0.00 C ATOM 143 C ASP A 10 6.714 2.070 -8.242 1.00 0.00 C ATOM 144 O ASP A 10 5.790 1.380 -8.656 1.00 0.00 O ATOM 145 CB ASP A 10 8.979 2.198 -9.271 1.00 0.00 C ATOM 146 CG ASP A 10 10.020 2.874 -10.161 1.00 0.00 C ATOM 147 OD1 ASP A 10 10.846 3.637 -9.607 1.00 0.00 O ATOM 148 OD2 ASP A 10 10.151 2.521 -11.352 1.00 0.00 O ATOM 0 H ASP A 10 8.616 4.420 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 10 7.174 2.893 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.380 2.141 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.846 1.174 -9.619 1.00 0.00 H new ATOM 154 N VAL A 11 6.972 2.189 -6.935 1.00 0.00 N ATOM 155 CA VAL A 11 6.214 1.492 -5.890 1.00 0.00 C ATOM 156 C VAL A 11 4.737 1.901 -5.895 1.00 0.00 C ATOM 157 O VAL A 11 3.888 1.084 -5.558 1.00 0.00 O ATOM 158 CB VAL A 11 6.896 1.686 -4.516 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.202 0.938 -3.366 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.341 1.165 -4.522 1.00 0.00 C ATOM 0 H VAL A 11 7.720 2.778 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 11 6.221 0.423 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 11 6.841 2.762 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.739 1.123 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.175 1.291 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.199 -0.131 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.787 1.319 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.343 0.101 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.919 1.705 -5.272 1.00 0.00 H new ATOM 170 N LEU A 12 4.382 3.118 -6.313 1.00 0.00 N ATOM 171 CA LEU A 12 3.000 3.546 -6.436 1.00 0.00 C ATOM 172 C LEU A 12 2.397 2.810 -7.616 1.00 0.00 C ATOM 173 O LEU A 12 1.351 2.182 -7.488 1.00 0.00 O ATOM 174 CB LEU A 12 2.945 5.070 -6.628 1.00 0.00 C ATOM 175 CG LEU A 12 3.128 5.825 -5.299 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.519 7.285 -5.550 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.852 5.792 -4.445 1.00 0.00 C ATOM 0 H LEU A 12 5.057 3.836 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 12 2.430 3.314 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.722 5.376 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.989 5.345 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 12 3.927 5.318 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.643 7.798 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.456 7.320 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.737 7.777 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.022 6.336 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.034 6.259 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.593 4.758 -4.218 1.00 0.00 H new ATOM 189 N ASN A 13 3.100 2.824 -8.747 1.00 0.00 N ATOM 190 CA ASN A 13 2.680 2.182 -9.971 1.00 0.00 C ATOM 191 C ASN A 13 2.595 0.657 -9.863 1.00 0.00 C ATOM 192 O ASN A 13 1.996 0.031 -10.739 1.00 0.00 O ATOM 193 CB ASN A 13 3.726 2.538 -11.041 1.00 0.00 C ATOM 194 CG ASN A 13 3.366 3.748 -11.882 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.194 4.082 -12.045 1.00 0.00 O ATOM 196 ND2 ASN A 13 4.372 4.430 -12.388 1.00 0.00 N ATOM 0 H ASN A 13 4.000 3.297 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 13 1.677 2.533 -10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.683 2.721 -10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.863 1.680 -11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.193 5.270 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.330 4.119 -12.229 1.00 0.00 H new ATOM 203 N ALA A 14 3.207 0.052 -8.845 1.00 0.00 N ATOM 204 CA ALA A 14 3.225 -1.386 -8.628 1.00 0.00 C ATOM 205 C ALA A 14 2.305 -1.817 -7.485 1.00 0.00 C ATOM 206 O ALA A 14 1.850 -2.961 -7.494 1.00 0.00 O ATOM 207 CB ALA A 14 4.658 -1.797 -8.327 1.00 0.00 C ATOM 0 H ALA A 14 3.718 0.569 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 14 2.854 -1.879 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.700 -2.873 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.296 -1.536 -9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.006 -1.277 -7.434 1.00 0.00 H new ATOM 213 N LEU A 15 2.027 -0.935 -6.514 1.00 0.00 N ATOM 214 CA LEU A 15 0.983 -1.149 -5.513 1.00 0.00 C ATOM 215 C LEU A 15 -0.410 -0.952 -6.101 1.00 0.00 C ATOM 216 O LEU A 15 -1.347 -1.588 -5.633 1.00 0.00 O ATOM 217 CB LEU A 15 1.148 -0.223 -4.296 1.00 0.00 C ATOM 218 CG LEU A 15 2.038 -0.804 -3.185 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.088 0.176 -2.008 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.491 -2.159 -2.703 1.00 0.00 C ATOM 0 H LEU A 15 2.524 -0.051 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 15 1.092 -2.183 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.571 0.725 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.164 -0.005 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 15 3.041 -0.956 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.719 -0.234 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.500 1.127 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.081 0.333 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.135 -2.553 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.482 -2.026 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.467 -2.860 -3.538 1.00 0.00 H new ATOM 232 N LYS A 16 -0.526 -0.169 -7.179 1.00 0.00 N ATOM 233 CA LYS A 16 -1.718 0.041 -8.006 1.00 0.00 C ATOM 234 C LYS A 16 -2.392 -1.241 -8.520 1.00 0.00 C ATOM 235 O LYS A 16 -3.337 -1.153 -9.301 1.00 0.00 O ATOM 236 CB LYS A 16 -1.324 0.986 -9.163 1.00 0.00 C ATOM 237 CG LYS A 16 -1.594 2.446 -8.779 1.00 0.00 C ATOM 238 CD LYS A 16 -0.987 3.465 -9.748 1.00 0.00 C ATOM 239 CE LYS A 16 -1.868 4.711 -9.773 1.00 0.00 C ATOM 240 NZ LYS A 16 -1.273 5.823 -10.541 1.00 0.00 N ATOM 0 H LYS A 16 0.268 0.373 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.485 0.487 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.269 0.856 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.889 0.729 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.671 2.605 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.197 2.628 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.025 3.725 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.912 3.036 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.836 4.456 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.051 5.040 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.916 6.641 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.362 6.089 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.122 5.523 -11.525 1.00 0.00 H new ATOM 254 N ASN A 17 -1.923 -2.429 -8.143 1.00 0.00 N ATOM 255 CA ASN A 17 -2.281 -3.720 -8.710 1.00 0.00 C ATOM 256 C ASN A 17 -2.441 -4.728 -7.573 1.00 0.00 C ATOM 257 O ASN A 17 -2.322 -5.938 -7.767 1.00 0.00 O ATOM 258 CB ASN A 17 -1.198 -4.114 -9.721 1.00 0.00 C ATOM 259 CG ASN A 17 -1.350 -3.296 -10.997 1.00 0.00 C ATOM 260 OD1 ASN A 17 -2.374 -3.346 -11.671 1.00 0.00 O ATOM 261 ND2 ASN A 17 -0.361 -2.486 -11.335 1.00 0.00 N ATOM 0 H ASN A 17 -1.243 -2.517 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.232 -3.687 -9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.210 -3.950 -9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.273 -5.177 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.445 -1.896 -12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.486 -2.452 -10.768 1.00 0.00 H new ATOM 268 N VAL A 18 -2.674 -4.227 -6.363 1.00 0.00 N ATOM 269 CA VAL A 18 -2.798 -4.983 -5.145 1.00 0.00 C ATOM 270 C VAL A 18 -4.162 -4.593 -4.607 1.00 0.00 C ATOM 271 O VAL A 18 -4.312 -3.559 -3.953 1.00 0.00 O ATOM 272 CB VAL A 18 -1.632 -4.630 -4.209 1.00 0.00 C ATOM 273 CG1 VAL A 18 -1.640 -5.577 -3.022 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.274 -4.796 -4.891 1.00 0.00 C ATOM 0 H VAL A 18 -2.786 -3.225 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.740 -6.064 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.766 -3.590 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.814 -5.331 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.583 -5.478 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.528 -6.603 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.519 -4.535 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.151 -5.831 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.221 -4.140 -5.760 1.00 0.00 H new ATOM 284 N ILE A 19 -5.172 -5.357 -5.005 1.00 0.00 N ATOM 285 CA ILE A 19 -6.532 -5.119 -4.588 1.00 0.00 C ATOM 286 C ILE A 19 -6.676 -5.695 -3.190 1.00 0.00 C ATOM 287 O ILE A 19 -6.413 -6.870 -2.933 1.00 0.00 O ATOM 288 CB ILE A 19 -7.517 -5.751 -5.576 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.349 -5.217 -7.018 1.00 0.00 C ATOM 290 CG2 ILE A 19 -8.965 -5.569 -5.111 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.630 -3.721 -7.212 1.00 0.00 C ATOM 0 H ILE A 19 -5.062 -6.158 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.760 -4.053 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.282 -6.815 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.329 -5.421 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.013 -5.780 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.640 -6.028 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.097 -6.043 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.190 -4.506 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.482 -3.456 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.659 -3.504 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.949 -3.139 -6.591 1.00 0.00 H new ATOM 303 N ASP A 20 -7.143 -4.843 -2.297 1.00 0.00 N ATOM 304 CA ASP A 20 -7.502 -5.198 -0.937 1.00 0.00 C ATOM 305 C ASP A 20 -8.826 -5.938 -1.042 1.00 0.00 C ATOM 306 O ASP A 20 -9.862 -5.294 -1.188 1.00 0.00 O ATOM 307 CB ASP A 20 -7.604 -3.946 -0.043 1.00 0.00 C ATOM 308 CG ASP A 20 -6.349 -3.718 0.803 1.00 0.00 C ATOM 309 OD1 ASP A 20 -6.519 -3.290 1.965 1.00 0.00 O ATOM 310 OD2 ASP A 20 -5.230 -4.017 0.332 1.00 0.00 O ATOM 0 H ASP A 20 -7.287 -3.855 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.744 -5.825 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.778 -3.071 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.467 -4.044 0.615 1.00 0.00 H new ATOM 316 N PHE A 21 -8.806 -7.276 -1.030 1.00 0.00 N ATOM 317 CA PHE A 21 -9.977 -8.129 -1.275 1.00 0.00 C ATOM 318 C PHE A 21 -11.183 -7.793 -0.375 1.00 0.00 C ATOM 319 O PHE A 21 -12.323 -8.072 -0.747 1.00 0.00 O ATOM 320 CB PHE A 21 -9.602 -9.609 -1.076 1.00 0.00 C ATOM 321 CG PHE A 21 -8.577 -10.190 -2.037 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.905 -10.372 -3.394 1.00 0.00 C ATOM 323 CD2 PHE A 21 -7.322 -10.627 -1.566 1.00 0.00 C ATOM 324 CE1 PHE A 21 -7.987 -10.978 -4.270 1.00 0.00 C ATOM 325 CE2 PHE A 21 -6.400 -11.223 -2.445 1.00 0.00 C ATOM 326 CZ PHE A 21 -6.737 -11.407 -3.796 1.00 0.00 C ATOM 0 H PHE A 21 -7.956 -7.809 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.279 -7.938 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.224 -9.730 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.513 -10.203 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.866 -10.045 -3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.067 -10.503 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.244 -11.114 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.433 -11.539 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.036 -11.878 -4.469 1.00 0.00 H new ATOM 336 N GLU A 22 -10.955 -7.218 0.806 1.00 0.00 N ATOM 337 CA GLU A 22 -11.988 -6.754 1.731 1.00 0.00 C ATOM 338 C GLU A 22 -12.818 -5.616 1.113 1.00 0.00 C ATOM 339 O GLU A 22 -14.031 -5.564 1.322 1.00 0.00 O ATOM 340 CB GLU A 22 -11.286 -6.359 3.048 1.00 0.00 C ATOM 341 CG GLU A 22 -12.051 -5.471 4.049 1.00 0.00 C ATOM 342 CD GLU A 22 -13.370 -5.999 4.623 1.00 0.00 C ATOM 343 OE1 GLU A 22 -13.918 -5.323 5.530 1.00 0.00 O ATOM 344 OE2 GLU A 22 -13.907 -7.033 4.165 1.00 0.00 O ATOM 0 H GLU A 22 -10.011 -7.057 1.157 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.710 -7.542 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.008 -7.278 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.360 -5.846 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.384 -5.261 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.258 -4.519 3.560 1.00 0.00 H new ATOM 352 N LEU A 23 -12.199 -4.722 0.335 1.00 0.00 N ATOM 353 CA LEU A 23 -12.873 -3.615 -0.343 1.00 0.00 C ATOM 354 C LEU A 23 -13.149 -4.001 -1.792 1.00 0.00 C ATOM 355 O LEU A 23 -14.288 -3.949 -2.256 1.00 0.00 O ATOM 356 CB LEU A 23 -12.007 -2.337 -0.292 1.00 0.00 C ATOM 357 CG LEU A 23 -12.236 -1.411 0.919 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.604 -0.723 0.873 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.070 -2.104 2.269 1.00 0.00 C ATOM 0 H LEU A 23 -11.195 -4.750 0.157 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.815 -3.410 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.958 -2.633 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.187 -1.764 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.449 -0.661 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.718 -0.082 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.678 -0.120 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.391 -1.477 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.247 -1.387 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.787 -2.922 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.058 -2.499 2.353 1.00 0.00 H new ATOM 371 N GLY A 24 -12.113 -4.389 -2.531 1.00 0.00 N ATOM 372 CA GLY A 24 -12.170 -4.648 -3.960 1.00 0.00 C ATOM 373 C GLY A 24 -11.521 -3.537 -4.788 1.00 0.00 C ATOM 374 O GLY A 24 -11.671 -3.557 -6.012 1.00 0.00 O ATOM 0 H GLY A 24 -11.184 -4.535 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.671 -5.593 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.211 -4.761 -4.263 1.00 0.00 H new ATOM 378 N LEU A 25 -10.785 -2.600 -4.174 1.00 0.00 N ATOM 379 CA LEU A 25 -9.981 -1.589 -4.866 1.00 0.00 C ATOM 380 C LEU A 25 -8.554 -1.603 -4.312 1.00 0.00 C ATOM 381 O LEU A 25 -8.270 -2.329 -3.362 1.00 0.00 O ATOM 382 CB LEU A 25 -10.638 -0.200 -4.748 1.00 0.00 C ATOM 383 CG LEU A 25 -10.971 0.481 -6.092 1.00 0.00 C ATOM 384 CD1 LEU A 25 -9.742 0.700 -6.982 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.037 -0.289 -6.878 1.00 0.00 C ATOM 0 H LEU A 25 -10.733 -2.524 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.931 -1.825 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.557 -0.297 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.973 0.453 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.364 1.460 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.047 1.182 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.024 1.335 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.280 -0.261 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.240 0.226 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.678 -1.297 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.953 -0.345 -6.290 1.00 0.00 H new ATOM 397 N ASP A 26 -7.650 -0.832 -4.924 1.00 0.00 N ATOM 398 CA ASP A 26 -6.218 -0.869 -4.615 1.00 0.00 C ATOM 399 C ASP A 26 -5.861 0.099 -3.478 1.00 0.00 C ATOM 400 O ASP A 26 -6.482 1.156 -3.325 1.00 0.00 O ATOM 401 CB ASP A 26 -5.377 -0.631 -5.890 1.00 0.00 C ATOM 402 CG ASP A 26 -4.574 0.670 -5.894 1.00 0.00 C ATOM 403 OD1 ASP A 26 -3.507 0.713 -5.261 1.00 0.00 O ATOM 404 OD2 ASP A 26 -4.987 1.640 -6.572 1.00 0.00 O ATOM 0 H ASP A 26 -7.893 -0.161 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.971 -1.866 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.689 -1.467 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.043 -0.634 -6.753 1.00 0.00 H new ATOM 410 N VAL A 27 -4.827 -0.242 -2.710 1.00 0.00 N ATOM 411 CA VAL A 27 -4.295 0.512 -1.579 1.00 0.00 C ATOM 412 C VAL A 27 -3.985 1.978 -1.899 1.00 0.00 C ATOM 413 O VAL A 27 -4.337 2.865 -1.119 1.00 0.00 O ATOM 414 CB VAL A 27 -3.058 -0.218 -1.016 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.451 -1.556 -0.388 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.954 -0.486 -2.050 1.00 0.00 C ATOM 0 H VAL A 27 -4.308 -1.105 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.078 0.552 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.654 0.467 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.561 -2.051 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.155 -1.383 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.917 -2.189 -1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.123 -1.002 -1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.351 -1.107 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.604 0.460 -2.462 1.00 0.00 H new ATOM 426 N VAL A 28 -3.366 2.269 -3.042 1.00 0.00 N ATOM 427 CA VAL A 28 -3.060 3.621 -3.492 1.00 0.00 C ATOM 428 C VAL A 28 -4.380 4.369 -3.708 1.00 0.00 C ATOM 429 O VAL A 28 -4.494 5.525 -3.300 1.00 0.00 O ATOM 430 CB VAL A 28 -2.196 3.573 -4.777 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.817 4.971 -5.284 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.902 2.768 -4.563 1.00 0.00 C ATOM 0 H VAL A 28 -3.056 1.550 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.477 4.155 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.818 3.082 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.212 4.879 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.723 5.534 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.247 5.494 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.323 2.757 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.313 3.230 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.152 1.746 -4.280 1.00 0.00 H new ATOM 442 N SER A 29 -5.391 3.718 -4.292 1.00 0.00 N ATOM 443 CA SER A 29 -6.731 4.274 -4.454 1.00 0.00 C ATOM 444 C SER A 29 -7.324 4.645 -3.094 1.00 0.00 C ATOM 445 O SER A 29 -7.849 5.749 -2.924 1.00 0.00 O ATOM 446 CB SER A 29 -7.629 3.267 -5.184 1.00 0.00 C ATOM 447 OG SER A 29 -8.397 3.914 -6.178 1.00 0.00 O ATOM 0 H SER A 29 -5.296 2.775 -4.670 1.00 0.00 H new ATOM 0 HA SER A 29 -6.668 5.182 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.016 2.489 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.289 2.776 -4.469 1.00 0.00 H new ATOM 0 HG SER A 29 -9.303 3.541 -6.185 1.00 0.00 H new ATOM 453 N LEU A 30 -7.213 3.734 -2.124 1.00 0.00 N ATOM 454 CA LEU A 30 -7.643 3.920 -0.743 1.00 0.00 C ATOM 455 C LEU A 30 -6.762 4.901 0.039 1.00 0.00 C ATOM 456 O LEU A 30 -7.083 5.217 1.182 1.00 0.00 O ATOM 457 CB LEU A 30 -7.690 2.548 -0.036 1.00 0.00 C ATOM 458 CG LEU A 30 -9.058 1.848 -0.141 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.953 0.421 -0.681 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.764 1.823 1.216 1.00 0.00 C ATOM 0 H LEU A 30 -6.806 2.814 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.637 4.366 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.926 1.901 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.439 2.682 1.016 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.643 2.432 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.947 -0.022 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.512 0.441 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.325 -0.174 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.728 1.324 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.149 1.283 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.919 2.844 1.564 1.00 0.00 H new ATOM 472 N GLY A 31 -5.650 5.386 -0.518 1.00 0.00 N ATOM 473 CA GLY A 31 -4.705 6.222 0.212 1.00 0.00 C ATOM 474 C GLY A 31 -4.133 5.517 1.450 1.00 0.00 C ATOM 475 O GLY A 31 -3.750 6.181 2.417 1.00 0.00 O ATOM 0 H GLY A 31 -5.383 5.208 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.888 6.505 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.201 7.143 0.519 1.00 0.00 H new ATOM 479 N LEU A 32 -4.109 4.181 1.456 1.00 0.00 N ATOM 480 CA LEU A 32 -3.369 3.376 2.420 1.00 0.00 C ATOM 481 C LEU A 32 -1.909 3.531 2.004 1.00 0.00 C ATOM 482 O LEU A 32 -1.513 2.973 0.985 1.00 0.00 O ATOM 483 CB LEU A 32 -3.809 1.897 2.371 1.00 0.00 C ATOM 484 CG LEU A 32 -5.279 1.637 2.747 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.769 0.284 2.215 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.531 1.672 4.248 1.00 0.00 C ATOM 0 H LEU A 32 -4.617 3.620 0.772 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.543 3.699 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.635 1.516 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.172 1.323 3.043 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.834 2.451 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.811 0.136 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.685 0.268 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.160 -0.515 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.586 1.481 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.927 0.907 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.261 2.653 4.640 1.00 0.00 H new ATOM 498 N VAL A 33 -1.175 4.388 2.715 1.00 0.00 N ATOM 499 CA VAL A 33 0.212 4.836 2.544 1.00 0.00 C ATOM 500 C VAL A 33 0.327 6.098 3.411 1.00 0.00 C ATOM 501 O VAL A 33 -0.519 6.990 3.317 1.00 0.00 O ATOM 502 CB VAL A 33 0.569 5.108 1.050 1.00 0.00 C ATOM 503 CG1 VAL A 33 1.435 6.354 0.785 1.00 0.00 C ATOM 504 CG2 VAL A 33 1.320 3.940 0.379 1.00 0.00 C ATOM 0 H VAL A 33 -1.591 4.843 3.528 1.00 0.00 H new ATOM 0 HA VAL A 33 0.924 4.069 2.851 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.424 5.257 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.622 6.446 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.913 7.242 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.384 6.256 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.537 4.195 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.253 3.754 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.701 3.044 0.410 1.00 0.00 H new ATOM 514 N TYR A 34 1.383 6.236 4.209 1.00 0.00 N ATOM 515 CA TYR A 34 1.690 7.434 4.987 1.00 0.00 C ATOM 516 C TYR A 34 3.027 7.990 4.496 1.00 0.00 C ATOM 517 O TYR A 34 3.112 9.174 4.154 1.00 0.00 O ATOM 518 CB TYR A 34 1.741 7.116 6.493 1.00 0.00 C ATOM 519 CG TYR A 34 0.458 6.951 7.282 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.626 7.834 7.116 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.416 5.983 8.305 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.738 7.769 7.975 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.697 5.904 9.155 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.766 6.815 9.013 1.00 0.00 C ATOM 525 OH TYR A 34 -2.771 6.791 9.923 1.00 0.00 O ATOM 0 H TYR A 34 2.071 5.493 4.336 1.00 0.00 H new ATOM 0 HA TYR A 34 0.906 8.179 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.312 6.195 6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.315 7.910 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.604 8.567 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.243 5.300 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.567 8.447 7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.736 5.144 9.921 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.559 7.241 9.552 1.00 0.00 H new ATOM 535 N ASP A 35 4.058 7.143 4.404 1.00 0.00 N ATOM 536 CA ASP A 35 5.377 7.500 3.878 1.00 0.00 C ATOM 537 C ASP A 35 5.897 6.370 3.004 1.00 0.00 C ATOM 538 O ASP A 35 5.475 5.226 3.172 1.00 0.00 O ATOM 539 CB ASP A 35 6.384 7.720 5.012 1.00 0.00 C ATOM 540 CG ASP A 35 7.518 8.687 4.621 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.746 8.966 3.416 1.00 0.00 O ATOM 542 OD2 ASP A 35 8.175 9.224 5.540 1.00 0.00 O ATOM 0 H ASP A 35 3.996 6.169 4.700 1.00 0.00 H new ATOM 0 HA ASP A 35 5.270 8.421 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.862 8.113 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.814 6.761 5.302 1.00 0.00 H new ATOM 548 N ILE A 36 6.835 6.682 2.112 1.00 0.00 N ATOM 549 CA ILE A 36 7.497 5.789 1.178 1.00 0.00 C ATOM 550 C ILE A 36 8.918 6.359 1.058 1.00 0.00 C ATOM 551 O ILE A 36 9.097 7.412 0.441 1.00 0.00 O ATOM 552 CB ILE A 36 6.773 5.766 -0.203 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.232 5.960 -0.197 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.125 4.449 -0.923 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.693 6.382 -1.568 1.00 0.00 C ATOM 0 H ILE A 36 7.174 7.640 2.021 1.00 0.00 H new ATOM 0 HA ILE A 36 7.492 4.754 1.519 1.00 0.00 H new ATOM 0 HB ILE A 36 7.143 6.649 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.752 5.030 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.966 6.715 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.625 4.419 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.204 4.391 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.795 3.604 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.611 6.505 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.150 7.326 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.933 5.616 -2.305 1.00 0.00 H new ATOM 567 N GLN A 37 9.914 5.716 1.671 1.00 0.00 N ATOM 568 CA GLN A 37 11.330 6.045 1.513 1.00 0.00 C ATOM 569 C GLN A 37 12.004 4.850 0.847 1.00 0.00 C ATOM 570 O GLN A 37 11.672 3.713 1.179 1.00 0.00 O ATOM 571 CB GLN A 37 11.998 6.389 2.863 1.00 0.00 C ATOM 572 CG GLN A 37 11.988 5.258 3.897 1.00 0.00 C ATOM 573 CD GLN A 37 12.536 5.637 5.272 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.602 5.179 5.678 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.796 6.389 6.067 1.00 0.00 N ATOM 0 H GLN A 37 9.753 4.934 2.306 1.00 0.00 H new ATOM 0 HA GLN A 37 11.437 6.936 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.031 6.681 2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.494 7.256 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.964 4.903 4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.571 4.424 3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.911 6.770 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.109 6.589 7.017 1.00 0.00 H new ATOM 584 N ILE A 38 12.899 5.086 -0.115 1.00 0.00 N ATOM 585 CA ILE A 38 13.657 4.026 -0.754 1.00 0.00 C ATOM 586 C ILE A 38 15.141 4.372 -0.652 1.00 0.00 C ATOM 587 O ILE A 38 15.630 5.255 -1.365 1.00 0.00 O ATOM 588 CB ILE A 38 13.167 3.785 -2.196 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.660 3.489 -2.305 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.906 2.580 -2.787 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.762 4.711 -2.267 1.00 0.00 C ATOM 0 H ILE A 38 13.113 6.019 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 38 13.501 3.075 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 38 13.368 4.711 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.477 2.951 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.376 2.823 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.562 2.407 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.978 2.778 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.705 1.697 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.721 4.400 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.908 5.241 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.011 5.371 -3.098 1.00 0.00 H new ATOM 603 N ASP A 39 15.856 3.688 0.246 1.00 0.00 N ATOM 604 CA ASP A 39 17.318 3.772 0.331 1.00 0.00 C ATOM 605 C ASP A 39 17.943 3.178 -0.939 1.00 0.00 C ATOM 606 O ASP A 39 17.270 2.493 -1.711 1.00 0.00 O ATOM 607 CB ASP A 39 17.838 3.050 1.585 1.00 0.00 C ATOM 608 CG ASP A 39 19.222 3.513 2.055 1.00 0.00 C ATOM 609 OD1 ASP A 39 19.644 3.043 3.133 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.889 4.329 1.374 1.00 0.00 O ATOM 0 H ASP A 39 15.439 3.061 0.934 1.00 0.00 H new ATOM 0 HA ASP A 39 17.606 4.820 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.125 3.197 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 39 17.876 1.979 1.384 1.00 0.00 H new ATOM 616 N ASP A 40 19.235 3.406 -1.158 1.00 0.00 N ATOM 617 CA ASP A 40 19.966 3.105 -2.395 1.00 0.00 C ATOM 618 C ASP A 40 19.889 1.644 -2.806 1.00 0.00 C ATOM 619 O ASP A 40 19.837 1.319 -3.992 1.00 0.00 O ATOM 620 CB ASP A 40 21.444 3.477 -2.230 1.00 0.00 C ATOM 621 CG ASP A 40 21.686 4.833 -2.869 1.00 0.00 C ATOM 622 OD1 ASP A 40 21.317 5.863 -2.258 1.00 0.00 O ATOM 623 OD2 ASP A 40 22.189 4.868 -4.012 1.00 0.00 O ATOM 0 H ASP A 40 19.833 3.826 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 40 19.488 3.696 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.709 3.506 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.077 2.722 -2.697 1.00 0.00 H new ATOM 629 N GLN A 41 19.847 0.753 -1.823 1.00 0.00 N ATOM 630 CA GLN A 41 19.748 -0.680 -1.984 1.00 0.00 C ATOM 631 C GLN A 41 18.313 -1.116 -2.282 1.00 0.00 C ATOM 632 O GLN A 41 18.000 -2.298 -2.161 1.00 0.00 O ATOM 633 CB GLN A 41 20.359 -1.329 -0.729 1.00 0.00 C ATOM 634 CG GLN A 41 21.864 -1.030 -0.630 1.00 0.00 C ATOM 635 CD GLN A 41 22.630 -1.453 -1.880 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.385 -0.703 -2.484 1.00 0.00 O ATOM 637 NE2 GLN A 41 22.413 -2.666 -2.352 1.00 0.00 N ATOM 0 H GLN A 41 19.883 1.033 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 41 20.310 -1.018 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 41 19.852 -0.957 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.200 -2.407 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.008 0.038 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.277 -1.546 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.786 -3.301 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 41 22.872 -2.969 -3.211 1.00 0.00 H new ATOM 646 N ASN A 42 17.455 -0.177 -2.684 1.00 0.00 N ATOM 647 CA ASN A 42 16.016 -0.289 -2.841 1.00 0.00 C ATOM 648 C ASN A 42 15.412 -0.986 -1.633 1.00 0.00 C ATOM 649 O ASN A 42 14.600 -1.905 -1.761 1.00 0.00 O ATOM 650 CB ASN A 42 15.608 -0.984 -4.141 1.00 0.00 C ATOM 651 CG ASN A 42 16.379 -0.536 -5.363 1.00 0.00 C ATOM 652 OD1 ASN A 42 16.379 0.634 -5.721 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.014 -1.479 -6.039 1.00 0.00 N ATOM 0 H ASN A 42 17.783 0.758 -2.927 1.00 0.00 H new ATOM 0 HA ASN A 42 15.620 0.724 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.738 -2.059 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.546 -0.809 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.525 -1.241 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.992 -2.444 -5.711 1.00 0.00 H new ATOM 660 N ASN A 43 15.823 -0.538 -0.450 1.00 0.00 N ATOM 661 CA ASN A 43 15.108 -0.802 0.789 1.00 0.00 C ATOM 662 C ASN A 43 13.780 -0.072 0.646 1.00 0.00 C ATOM 663 O ASN A 43 13.710 1.102 1.010 1.00 0.00 O ATOM 664 CB ASN A 43 15.858 -0.200 1.995 1.00 0.00 C ATOM 665 CG ASN A 43 17.205 -0.789 2.377 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.821 -1.595 1.540 1.00 0.00 O flip ATOM 667 ND2 ASN A 43 17.711 -0.523 3.459 1.00 0.00 N flip ATOM 0 H ASN A 43 16.667 0.021 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 43 15.001 -1.874 0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.004 0.862 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.204 -0.276 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.231 0.102 4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.613 -0.927 3.713 1.00 0.00 H new ATOM 674 N VAL A 44 12.764 -0.665 0.020 1.00 0.00 N ATOM 675 CA VAL A 44 11.505 0.050 -0.106 1.00 0.00 C ATOM 676 C VAL A 44 10.834 0.010 1.258 1.00 0.00 C ATOM 677 O VAL A 44 10.393 -1.060 1.684 1.00 0.00 O ATOM 678 CB VAL A 44 10.703 -0.580 -1.243 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.225 -0.173 -1.263 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.343 -0.204 -2.589 1.00 0.00 C ATOM 0 H VAL A 44 12.787 -1.599 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 44 11.618 1.100 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 44 10.729 -1.657 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.724 -0.662 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.752 -0.476 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.147 0.908 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.772 -0.653 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.343 0.880 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.368 -0.572 -2.620 1.00 0.00 H new ATOM 690 N LYS A 45 10.791 1.151 1.955 1.00 0.00 N ATOM 691 CA LYS A 45 10.309 1.199 3.317 1.00 0.00 C ATOM 692 C LYS A 45 9.090 2.082 3.365 1.00 0.00 C ATOM 693 O LYS A 45 9.175 3.305 3.205 1.00 0.00 O ATOM 694 CB LYS A 45 11.421 1.627 4.267 1.00 0.00 C ATOM 695 CG LYS A 45 10.920 1.549 5.717 1.00 0.00 C ATOM 696 CD LYS A 45 11.893 2.107 6.750 1.00 0.00 C ATOM 697 CE LYS A 45 13.179 1.281 6.821 1.00 0.00 C ATOM 698 NZ LYS A 45 13.910 1.533 8.078 1.00 0.00 N ATOM 0 H LYS A 45 11.089 2.053 1.584 1.00 0.00 H new ATOM 0 HA LYS A 45 10.008 0.208 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.291 0.984 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.739 2.644 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.978 2.092 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.709 0.508 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.137 3.139 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.415 2.121 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.937 0.221 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.817 1.524 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.777 0.959 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.161 2.541 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.308 1.277 8.887 1.00 0.00 H new ATOM 712 N VAL A 46 7.945 1.464 3.592 1.00 0.00 N ATOM 713 CA VAL A 46 6.657 2.102 3.455 1.00 0.00 C ATOM 714 C VAL A 46 5.973 2.027 4.804 1.00 0.00 C ATOM 715 O VAL A 46 5.756 0.939 5.329 1.00 0.00 O ATOM 716 CB VAL A 46 5.828 1.457 2.327 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.735 2.450 1.915 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.693 1.095 1.107 1.00 0.00 C ATOM 0 H VAL A 46 7.888 0.488 3.882 1.00 0.00 H new ATOM 0 HA VAL A 46 6.769 3.146 3.164 1.00 0.00 H new ATOM 0 HB VAL A 46 5.395 0.527 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.133 2.017 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.098 2.667 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.196 3.373 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.066 0.643 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.160 1.997 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.466 0.388 1.406 1.00 0.00 H new ATOM 728 N LEU A 47 5.621 3.186 5.352 1.00 0.00 N ATOM 729 CA LEU A 47 4.722 3.260 6.491 1.00 0.00 C ATOM 730 C LEU A 47 3.335 3.089 5.867 1.00 0.00 C ATOM 731 O LEU A 47 2.726 4.071 5.425 1.00 0.00 O ATOM 732 CB LEU A 47 4.902 4.614 7.223 1.00 0.00 C ATOM 733 CG LEU A 47 5.249 4.512 8.715 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.629 3.892 8.901 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.228 5.917 9.335 1.00 0.00 C ATOM 0 H LEU A 47 5.950 4.092 5.020 1.00 0.00 H new ATOM 0 HA LEU A 47 4.904 2.504 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.689 5.178 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.982 5.189 7.119 1.00 0.00 H new ATOM 0 HG LEU A 47 4.513 3.877 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.859 3.827 9.965 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.641 2.893 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.376 4.512 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.474 5.851 10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.960 6.548 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.235 6.351 9.219 1.00 0.00 H new ATOM 747 N MET A 48 2.863 1.851 5.718 1.00 0.00 N ATOM 748 CA MET A 48 1.503 1.580 5.257 1.00 0.00 C ATOM 749 C MET A 48 0.649 1.207 6.475 1.00 0.00 C ATOM 750 O MET A 48 1.113 1.274 7.622 1.00 0.00 O ATOM 751 CB MET A 48 1.462 0.571 4.088 1.00 0.00 C ATOM 752 CG MET A 48 0.469 1.013 3.007 1.00 0.00 C ATOM 753 SD MET A 48 0.017 -0.279 1.820 1.00 0.00 S ATOM 754 CE MET A 48 -1.252 -1.163 2.781 1.00 0.00 C ATOM 0 H MET A 48 3.410 1.012 5.913 1.00 0.00 H new ATOM 0 HA MET A 48 1.066 2.474 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.457 0.474 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.181 -0.413 4.463 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.438 1.375 3.492 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.897 1.854 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.283 -2.207 2.469 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.008 -1.109 3.842 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.225 -0.703 2.608 1.00 0.00 H new ATOM 764 N THR A 49 -0.629 0.935 6.245 1.00 0.00 N ATOM 765 CA THR A 49 -1.594 0.537 7.256 1.00 0.00 C ATOM 766 C THR A 49 -2.791 -0.083 6.532 1.00 0.00 C ATOM 767 O THR A 49 -2.810 -0.124 5.302 1.00 0.00 O ATOM 768 CB THR A 49 -1.955 1.755 8.132 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.783 1.339 9.193 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.619 2.921 7.381 1.00 0.00 C ATOM 0 H THR A 49 -1.036 0.988 5.311 1.00 0.00 H new ATOM 0 HA THR A 49 -1.193 -0.211 7.940 1.00 0.00 H new ATOM 0 HB THR A 49 -1.007 2.149 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.228 1.055 9.949 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.835 3.729 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.946 3.284 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.548 2.578 6.925 1.00 0.00 H new ATOM 778 N MET A 50 -3.784 -0.553 7.285 1.00 0.00 N ATOM 779 CA MET A 50 -4.994 -1.185 6.779 1.00 0.00 C ATOM 780 C MET A 50 -6.195 -0.363 7.248 1.00 0.00 C ATOM 781 O MET A 50 -6.123 0.305 8.283 1.00 0.00 O ATOM 782 CB MET A 50 -5.048 -2.639 7.292 1.00 0.00 C ATOM 783 CG MET A 50 -5.129 -3.647 6.147 1.00 0.00 C ATOM 784 SD MET A 50 -3.787 -3.610 4.938 1.00 0.00 S ATOM 785 CE MET A 50 -4.406 -4.961 3.904 1.00 0.00 C ATOM 0 H MET A 50 -3.764 -0.500 8.303 1.00 0.00 H new ATOM 0 HA MET A 50 -5.006 -1.217 5.690 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.163 -2.844 7.894 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.912 -2.761 7.945 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.172 -4.648 6.577 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.068 -3.486 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.219 -4.731 2.855 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.895 -5.886 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.478 -5.080 4.064 1.00 0.00 H new ATOM 795 N THR A 51 -7.319 -0.434 6.531 1.00 0.00 N ATOM 796 CA THR A 51 -8.561 0.228 6.922 1.00 0.00 C ATOM 797 C THR A 51 -8.972 -0.201 8.334 1.00 0.00 C ATOM 798 O THR A 51 -9.286 0.658 9.160 1.00 0.00 O ATOM 799 CB THR A 51 -9.640 -0.103 5.880 1.00 0.00 C ATOM 800 OG1 THR A 51 -9.227 0.383 4.618 1.00 0.00 O ATOM 801 CG2 THR A 51 -11.045 0.402 6.214 1.00 0.00 C ATOM 0 H THR A 51 -7.391 -0.956 5.658 1.00 0.00 H new ATOM 0 HA THR A 51 -8.424 1.309 6.950 1.00 0.00 H new ATOM 0 HB THR A 51 -9.733 -1.189 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.910 0.174 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.733 0.118 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.376 -0.039 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.028 1.488 6.309 1.00 0.00 H new ATOM 809 N THR A 52 -8.949 -1.502 8.629 1.00 0.00 N ATOM 810 CA THR A 52 -9.381 -2.053 9.904 1.00 0.00 C ATOM 811 C THR A 52 -8.493 -3.254 10.269 1.00 0.00 C ATOM 812 O THR A 52 -8.003 -3.960 9.384 1.00 0.00 O ATOM 813 CB THR A 52 -10.864 -2.482 9.787 1.00 0.00 C ATOM 814 OG1 THR A 52 -11.109 -3.130 8.550 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.841 -1.316 9.942 1.00 0.00 C ATOM 0 H THR A 52 -8.623 -2.211 7.973 1.00 0.00 H new ATOM 0 HA THR A 52 -9.289 -1.305 10.691 1.00 0.00 H new ATOM 0 HB THR A 52 -11.037 -3.173 10.612 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.318 -3.647 8.289 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.863 -1.683 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.707 -0.857 10.922 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.650 -0.576 9.165 1.00 0.00 H new ATOM 823 N PRO A 53 -8.347 -3.598 11.562 1.00 0.00 N ATOM 824 CA PRO A 53 -7.934 -4.944 11.962 1.00 0.00 C ATOM 825 C PRO A 53 -8.966 -6.002 11.543 1.00 0.00 C ATOM 826 O PRO A 53 -8.667 -7.188 11.458 1.00 0.00 O ATOM 827 CB PRO A 53 -7.810 -4.907 13.489 1.00 0.00 C ATOM 828 CG PRO A 53 -7.773 -3.422 13.845 1.00 0.00 C ATOM 829 CD PRO A 53 -8.573 -2.758 12.725 1.00 0.00 C ATOM 0 HA PRO A 53 -6.996 -5.218 11.478 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.653 -5.407 13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.907 -5.416 13.824 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.220 -3.234 14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.751 -3.045 13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.633 -2.703 12.974 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.234 -1.737 12.548 1.00 0.00 H new ATOM 837 N MET A 54 -10.208 -5.588 11.293 1.00 0.00 N ATOM 838 CA MET A 54 -11.356 -6.444 11.022 1.00 0.00 C ATOM 839 C MET A 54 -11.424 -6.887 9.555 1.00 0.00 C ATOM 840 O MET A 54 -12.495 -7.260 9.060 1.00 0.00 O ATOM 841 CB MET A 54 -12.631 -5.708 11.453 1.00 0.00 C ATOM 842 CG MET A 54 -12.599 -5.389 12.955 1.00 0.00 C ATOM 843 SD MET A 54 -13.953 -4.353 13.548 1.00 0.00 S ATOM 844 CE MET A 54 -13.652 -2.814 12.636 1.00 0.00 C ATOM 0 H MET A 54 -10.450 -4.597 11.274 1.00 0.00 H new ATOM 0 HA MET A 54 -11.252 -7.363 11.600 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.733 -4.784 10.883 1.00 0.00 H new ATOM 0 HB3 MET A 54 -13.504 -6.320 11.226 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.610 -6.327 13.510 1.00 0.00 H new ATOM 0 HG3 MET A 54 -11.656 -4.894 13.185 1.00 0.00 H new ATOM 0 HE1 MET A 54 -14.216 -2.003 13.095 1.00 0.00 H new ATOM 0 HE2 MET A 54 -12.588 -2.577 12.663 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.970 -2.936 11.601 1.00 0.00 H new ATOM 854 N CYS A 55 -10.317 -6.805 8.815 1.00 0.00 N ATOM 855 CA CYS A 55 -10.227 -7.475 7.531 1.00 0.00 C ATOM 856 C CYS A 55 -10.226 -8.994 7.771 1.00 0.00 C ATOM 857 O CYS A 55 -9.757 -9.454 8.822 1.00 0.00 O ATOM 858 CB CYS A 55 -8.983 -7.018 6.773 1.00 0.00 C ATOM 859 SG CYS A 55 -9.088 -5.223 6.524 1.00 0.00 S ATOM 0 H CYS A 55 -9.482 -6.285 9.085 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.085 -7.217 6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.083 -7.271 7.334 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.915 -7.530 5.813 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.684 -4.612 7.598 1.00 0.00 H new ATOM 865 N PRO A 56 -10.749 -9.791 6.825 1.00 0.00 N ATOM 866 CA PRO A 56 -10.980 -11.208 7.030 1.00 0.00 C ATOM 867 C PRO A 56 -9.655 -11.971 6.942 1.00 0.00 C ATOM 868 O PRO A 56 -8.979 -12.203 7.949 1.00 0.00 O ATOM 869 CB PRO A 56 -12.032 -11.600 5.983 1.00 0.00 C ATOM 870 CG PRO A 56 -11.786 -10.617 4.840 1.00 0.00 C ATOM 871 CD PRO A 56 -11.200 -9.376 5.506 1.00 0.00 C ATOM 0 HA PRO A 56 -11.361 -11.459 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.908 -12.633 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.044 -11.510 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.098 -11.032 4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.712 -10.383 4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.372 -8.976 4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.948 -8.587 5.582 1.00 0.00 H new ATOM 879 N LEU A 57 -9.247 -12.302 5.721 1.00 0.00 N ATOM 880 CA LEU A 57 -7.971 -12.890 5.355 1.00 0.00 C ATOM 881 C LEU A 57 -6.894 -11.805 5.248 1.00 0.00 C ATOM 882 O LEU A 57 -6.155 -11.761 4.265 1.00 0.00 O ATOM 883 CB LEU A 57 -8.125 -13.769 4.095 1.00 0.00 C ATOM 884 CG LEU A 57 -8.993 -13.222 2.942 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.392 -12.020 2.206 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.248 -14.350 1.939 1.00 0.00 C ATOM 0 H LEU A 57 -9.844 -12.155 4.907 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.629 -13.564 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.129 -13.967 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.542 -14.728 4.403 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.916 -12.863 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.069 -11.703 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.246 -11.199 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.432 -12.301 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.861 -13.976 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.297 -14.710 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.768 -15.169 2.436 1.00 0.00 H new ATOM 898 N ALA A 58 -6.803 -10.927 6.259 1.00 0.00 N ATOM 899 CA ALA A 58 -5.878 -9.795 6.269 1.00 0.00 C ATOM 900 C ALA A 58 -4.462 -10.242 5.892 1.00 0.00 C ATOM 901 O ALA A 58 -3.857 -9.629 5.023 1.00 0.00 O ATOM 902 CB ALA A 58 -5.855 -9.103 7.635 1.00 0.00 C ATOM 0 H ALA A 58 -7.378 -10.988 7.099 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.234 -9.081 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.157 -8.266 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.853 -8.735 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.538 -9.814 8.398 1.00 0.00 H new ATOM 908 N GLY A 59 -3.969 -11.324 6.506 1.00 0.00 N ATOM 909 CA GLY A 59 -2.699 -11.973 6.197 1.00 0.00 C ATOM 910 C GLY A 59 -2.437 -12.128 4.704 1.00 0.00 C ATOM 911 O GLY A 59 -1.382 -11.719 4.231 1.00 0.00 O ATOM 0 H GLY A 59 -4.470 -11.788 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.888 -11.395 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.681 -12.958 6.664 1.00 0.00 H new ATOM 915 N MET A 60 -3.391 -12.675 3.954 1.00 0.00 N ATOM 916 CA MET A 60 -3.250 -12.862 2.515 1.00 0.00 C ATOM 917 C MET A 60 -3.148 -11.521 1.796 1.00 0.00 C ATOM 918 O MET A 60 -2.342 -11.389 0.881 1.00 0.00 O ATOM 919 CB MET A 60 -4.426 -13.678 1.968 1.00 0.00 C ATOM 920 CG MET A 60 -3.987 -15.013 1.350 1.00 0.00 C ATOM 921 SD MET A 60 -2.833 -14.951 -0.056 1.00 0.00 S ATOM 922 CE MET A 60 -3.726 -13.878 -1.216 1.00 0.00 C ATOM 0 H MET A 60 -4.282 -13.000 4.328 1.00 0.00 H new ATOM 0 HA MET A 60 -2.327 -13.412 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.134 -13.871 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.952 -13.090 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.527 -15.612 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.882 -15.544 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.197 -13.852 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.733 -14.267 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.786 -12.870 -0.807 1.00 0.00 H new ATOM 932 N ILE A 61 -3.942 -10.526 2.200 1.00 0.00 N ATOM 933 CA ILE A 61 -3.873 -9.190 1.608 1.00 0.00 C ATOM 934 C ILE A 61 -2.463 -8.602 1.835 1.00 0.00 C ATOM 935 O ILE A 61 -1.839 -8.102 0.898 1.00 0.00 O ATOM 936 CB ILE A 61 -4.992 -8.265 2.149 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.402 -8.901 2.137 1.00 0.00 C ATOM 938 CG2 ILE A 61 -5.014 -7.006 1.280 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.503 -8.042 2.779 1.00 0.00 C ATOM 0 H ILE A 61 -4.641 -10.622 2.936 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.044 -9.267 0.534 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.762 -8.056 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.681 -9.112 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.358 -9.858 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.793 -6.332 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.047 -6.506 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.217 -7.282 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.455 -8.570 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.254 -7.852 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.582 -7.094 2.246 1.00 0.00 H new ATOM 951 N LEU A 62 -1.947 -8.691 3.067 1.00 0.00 N ATOM 952 CA LEU A 62 -0.610 -8.219 3.435 1.00 0.00 C ATOM 953 C LEU A 62 0.454 -8.951 2.614 1.00 0.00 C ATOM 954 O LEU A 62 1.395 -8.335 2.110 1.00 0.00 O ATOM 955 CB LEU A 62 -0.350 -8.449 4.939 1.00 0.00 C ATOM 956 CG LEU A 62 -1.294 -7.701 5.898 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.150 -8.250 7.322 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.013 -6.202 5.928 1.00 0.00 C ATOM 0 H LEU A 62 -2.458 -9.101 3.849 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.555 -7.151 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.425 -9.517 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.675 -8.153 5.162 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.307 -7.859 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.823 -7.712 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.402 -9.310 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.122 -8.119 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.703 -5.716 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.011 -6.030 6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.146 -5.787 4.929 1.00 0.00 H new ATOM 970 N SER A 63 0.296 -10.267 2.473 1.00 0.00 N ATOM 971 CA SER A 63 1.160 -11.119 1.680 1.00 0.00 C ATOM 972 C SER A 63 1.163 -10.638 0.231 1.00 0.00 C ATOM 973 O SER A 63 2.244 -10.578 -0.350 1.00 0.00 O ATOM 974 CB SER A 63 0.690 -12.574 1.816 1.00 0.00 C ATOM 975 OG SER A 63 1.592 -13.519 1.261 1.00 0.00 O ATOM 0 H SER A 63 -0.462 -10.778 2.924 1.00 0.00 H new ATOM 0 HA SER A 63 2.188 -11.068 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.543 -12.802 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.279 -12.681 1.329 1.00 0.00 H new ATOM 0 HG SER A 63 1.234 -14.423 1.383 1.00 0.00 H new ATOM 981 N ASP A 64 0.005 -10.300 -0.352 1.00 0.00 N ATOM 982 CA ASP A 64 -0.083 -9.878 -1.752 1.00 0.00 C ATOM 983 C ASP A 64 0.680 -8.581 -1.971 1.00 0.00 C ATOM 984 O ASP A 64 1.363 -8.446 -2.985 1.00 0.00 O ATOM 985 CB ASP A 64 -1.523 -9.697 -2.253 1.00 0.00 C ATOM 986 CG ASP A 64 -1.587 -10.000 -3.752 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.889 -9.119 -4.588 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.375 -11.181 -4.122 1.00 0.00 O ATOM 0 H ASP A 64 -0.892 -10.312 0.133 1.00 0.00 H new ATOM 0 HA ASP A 64 0.363 -10.688 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.194 -10.361 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.859 -8.678 -2.063 1.00 0.00 H new ATOM 994 N ALA A 65 0.602 -7.653 -1.008 1.00 0.00 N ATOM 995 CA ALA A 65 1.342 -6.403 -1.039 1.00 0.00 C ATOM 996 C ALA A 65 2.839 -6.684 -1.083 1.00 0.00 C ATOM 997 O ALA A 65 3.511 -6.207 -1.998 1.00 0.00 O ATOM 998 CB ALA A 65 0.966 -5.511 0.148 1.00 0.00 C ATOM 0 H ALA A 65 0.015 -7.759 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 65 1.074 -5.858 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.535 -4.582 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.100 -5.286 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.195 -6.029 1.079 1.00 0.00 H new ATOM 1004 N GLU A 66 3.379 -7.463 -0.140 1.00 0.00 N ATOM 1005 CA GLU A 66 4.793 -7.796 -0.149 1.00 0.00 C ATOM 1006 C GLU A 66 5.164 -8.496 -1.467 1.00 0.00 C ATOM 1007 O GLU A 66 6.142 -8.117 -2.113 1.00 0.00 O ATOM 1008 CB GLU A 66 5.181 -8.632 1.087 1.00 0.00 C ATOM 1009 CG GLU A 66 6.607 -8.244 1.500 1.00 0.00 C ATOM 1010 CD GLU A 66 7.349 -9.286 2.337 1.00 0.00 C ATOM 1011 OE1 GLU A 66 7.985 -10.194 1.747 1.00 0.00 O ATOM 1012 OE2 GLU A 66 7.412 -9.153 3.582 1.00 0.00 O ATOM 0 H GLU A 66 2.854 -7.870 0.634 1.00 0.00 H new ATOM 0 HA GLU A 66 5.370 -6.873 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.485 -8.447 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.128 -9.696 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.187 -8.045 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.564 -7.312 2.064 1.00 0.00 H new ATOM 1020 N GLU A 67 4.368 -9.489 -1.883 1.00 0.00 N ATOM 1021 CA GLU A 67 4.485 -10.251 -3.128 1.00 0.00 C ATOM 1022 C GLU A 67 4.479 -9.357 -4.370 1.00 0.00 C ATOM 1023 O GLU A 67 5.102 -9.731 -5.361 1.00 0.00 O ATOM 1024 CB GLU A 67 3.406 -11.355 -3.150 1.00 0.00 C ATOM 1025 CG GLU A 67 3.162 -12.006 -4.518 1.00 0.00 C ATOM 1026 CD GLU A 67 2.740 -13.477 -4.437 1.00 0.00 C ATOM 1027 OE1 GLU A 67 1.710 -13.784 -3.798 1.00 0.00 O ATOM 1028 OE2 GLU A 67 3.464 -14.317 -5.028 1.00 0.00 O ATOM 0 H GLU A 67 3.575 -9.800 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 67 5.460 -10.736 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.691 -12.133 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.467 -10.930 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.390 -11.445 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.072 -11.931 -5.113 1.00 0.00 H new ATOM 1036 N ALA A 68 3.852 -8.184 -4.319 1.00 0.00 N ATOM 1037 CA ALA A 68 3.714 -7.265 -5.442 1.00 0.00 C ATOM 1038 C ALA A 68 4.836 -6.236 -5.438 1.00 0.00 C ATOM 1039 O ALA A 68 5.376 -5.903 -6.493 1.00 0.00 O ATOM 1040 CB ALA A 68 2.373 -6.544 -5.351 1.00 0.00 C ATOM 0 H ALA A 68 3.412 -7.837 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 68 3.767 -7.840 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.271 -5.857 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.564 -7.274 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.323 -5.984 -4.417 1.00 0.00 H new ATOM 1046 N ILE A 69 5.190 -5.709 -4.267 1.00 0.00 N ATOM 1047 CA ILE A 69 6.253 -4.725 -4.115 1.00 0.00 C ATOM 1048 C ILE A 69 7.597 -5.376 -4.452 1.00 0.00 C ATOM 1049 O ILE A 69 8.467 -4.724 -5.028 1.00 0.00 O ATOM 1050 CB ILE A 69 6.199 -4.126 -2.690 1.00 0.00 C ATOM 1051 CG1 ILE A 69 4.899 -3.318 -2.477 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.419 -3.227 -2.435 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.650 -2.999 -0.997 1.00 0.00 C ATOM 0 H ILE A 69 4.739 -5.959 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 69 6.121 -3.895 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 69 6.213 -4.954 -1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.955 -2.388 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.054 -3.882 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.363 -2.815 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.331 -3.815 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.429 -2.413 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.725 -2.430 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.567 -3.928 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.481 -2.411 -0.607 1.00 0.00 H new ATOM 1065 N LYS A 70 7.782 -6.665 -4.160 1.00 0.00 N ATOM 1066 CA LYS A 70 9.003 -7.354 -4.557 1.00 0.00 C ATOM 1067 C LYS A 70 9.051 -7.661 -6.060 1.00 0.00 C ATOM 1068 O LYS A 70 10.107 -8.062 -6.534 1.00 0.00 O ATOM 1069 CB LYS A 70 9.231 -8.592 -3.679 1.00 0.00 C ATOM 1070 CG LYS A 70 8.269 -9.739 -3.995 1.00 0.00 C ATOM 1071 CD LYS A 70 8.396 -10.907 -3.014 1.00 0.00 C ATOM 1072 CE LYS A 70 7.700 -10.643 -1.679 1.00 0.00 C ATOM 1073 NZ LYS A 70 8.247 -11.493 -0.613 1.00 0.00 N ATOM 0 H LYS A 70 7.109 -7.243 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 70 9.839 -6.676 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.256 -8.939 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.121 -8.312 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.246 -9.364 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.459 -10.098 -5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.972 -11.803 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.452 -11.110 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.818 -9.594 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.631 -10.828 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.422 -10.917 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.567 -12.246 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.141 -11.919 -0.932 1.00 0.00 H new ATOM 1087 N LYS A 71 7.991 -7.459 -6.858 1.00 0.00 N ATOM 1088 CA LYS A 71 8.034 -7.724 -8.291 1.00 0.00 C ATOM 1089 C LYS A 71 8.695 -6.578 -9.035 1.00 0.00 C ATOM 1090 O LYS A 71 8.625 -6.571 -10.259 1.00 0.00 O ATOM 1091 CB LYS A 71 6.610 -7.922 -8.830 1.00 0.00 C ATOM 1092 CG LYS A 71 5.920 -9.164 -8.268 1.00 0.00 C ATOM 1093 CD LYS A 71 5.932 -10.371 -9.216 1.00 0.00 C ATOM 1094 CE LYS A 71 4.673 -11.207 -8.958 1.00 0.00 C ATOM 1095 NZ LYS A 71 4.831 -12.278 -7.954 1.00 0.00 N ATOM 0 H LYS A 71 7.092 -7.111 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 71 8.619 -8.630 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.012 -7.043 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.647 -7.996 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.406 -9.445 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.886 -8.915 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.959 -10.037 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.826 -10.973 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.873 -10.541 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.354 -11.656 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.931 -12.788 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.570 -12.940 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.104 -11.861 -7.041 1.00 0.00 H new ATOM 1109 N ILE A 72 9.275 -5.577 -8.362 1.00 0.00 N ATOM 1110 CA ILE A 72 9.760 -4.377 -9.022 1.00 0.00 C ATOM 1111 C ILE A 72 11.255 -4.487 -9.372 1.00 0.00 C ATOM 1112 O ILE A 72 11.938 -3.482 -9.571 1.00 0.00 O ATOM 1113 CB ILE A 72 9.265 -3.087 -8.315 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.826 -3.178 -7.752 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.279 -1.908 -9.302 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.527 -2.064 -6.735 1.00 0.00 C ATOM 0 H ILE A 72 9.417 -5.583 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 72 9.301 -4.281 -10.006 1.00 0.00 H new ATOM 0 HB ILE A 72 9.950 -2.947 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.112 -3.118 -8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.685 -4.149 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.930 -1.007 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.294 -1.750 -9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.622 -2.130 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.506 -2.170 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.222 -2.139 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.641 -1.092 -7.216 1.00 0.00 H new ATOM 1128 N GLU A 73 11.740 -5.722 -9.507 1.00 0.00 N ATOM 1129 CA GLU A 73 13.079 -6.133 -9.934 1.00 0.00 C ATOM 1130 C GLU A 73 14.222 -5.272 -9.390 1.00 0.00 C ATOM 1131 O GLU A 73 15.192 -4.949 -10.082 1.00 0.00 O ATOM 1132 CB GLU A 73 13.115 -6.332 -11.457 1.00 0.00 C ATOM 1133 CG GLU A 73 12.872 -5.048 -12.256 1.00 0.00 C ATOM 1134 CD GLU A 73 12.835 -5.304 -13.757 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.807 -4.944 -14.465 1.00 0.00 O ATOM 1136 OE2 GLU A 73 11.830 -5.852 -14.259 1.00 0.00 O ATOM 0 H GLU A 73 11.154 -6.532 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 73 13.274 -7.099 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.084 -6.745 -11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.362 -7.070 -11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.929 -4.599 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.658 -4.328 -12.031 1.00 0.00 H new ATOM 1144 N GLY A 74 14.150 -4.953 -8.103 1.00 0.00 N ATOM 1145 CA GLY A 74 15.097 -4.046 -7.484 1.00 0.00 C ATOM 1146 C GLY A 74 14.962 -4.064 -5.981 1.00 0.00 C ATOM 1147 O GLY A 74 15.977 -3.957 -5.298 1.00 0.00 O ATOM 0 H GLY A 74 13.439 -5.314 -7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.112 -4.328 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.933 -3.034 -7.855 1.00 0.00 H new ATOM 1151 N VAL A 75 13.720 -4.146 -5.505 1.00 0.00 N ATOM 1152 CA VAL A 75 13.195 -4.107 -4.145 1.00 0.00 C ATOM 1153 C VAL A 75 13.705 -5.186 -3.218 1.00 0.00 C ATOM 1154 O VAL A 75 13.008 -6.137 -2.862 1.00 0.00 O ATOM 1155 CB VAL A 75 11.696 -3.955 -4.088 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.310 -3.540 -2.686 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.285 -2.907 -5.095 1.00 0.00 C ATOM 0 H VAL A 75 12.950 -4.258 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 75 13.621 -3.188 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 75 11.192 -4.891 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.228 -3.425 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.634 -4.303 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.790 -2.592 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.202 -2.782 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.765 -1.960 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.590 -3.222 -6.093 1.00 0.00 H new ATOM 1167 N ASN A 76 14.991 -5.072 -2.991 1.00 0.00 N ATOM 1168 CA ASN A 76 15.825 -5.999 -2.274 1.00 0.00 C ATOM 1169 C ASN A 76 15.110 -6.530 -1.050 1.00 0.00 C ATOM 1170 O ASN A 76 15.030 -7.732 -0.809 1.00 0.00 O ATOM 1171 CB ASN A 76 17.096 -5.276 -1.842 1.00 0.00 C ATOM 1172 CG ASN A 76 17.918 -6.088 -0.851 1.00 0.00 C ATOM 1173 OD1 ASN A 76 17.975 -5.651 0.391 1.00 0.00 O flip ATOM 1174 ND2 ASN A 76 18.525 -7.098 -1.186 1.00 0.00 N flip ATOM 0 H ASN A 76 15.519 -4.267 -3.329 1.00 0.00 H new ATOM 0 HA ASN A 76 16.064 -6.840 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.703 -5.058 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.831 -4.319 -1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.474 -7.428 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.081 -7.609 -0.501 1.00 0.00 H new ATOM 1181 N ASN A 77 14.652 -5.576 -0.257 1.00 0.00 N ATOM 1182 CA ASN A 77 13.834 -5.771 0.912 1.00 0.00 C ATOM 1183 C ASN A 77 12.633 -4.850 0.883 1.00 0.00 C ATOM 1184 O ASN A 77 12.640 -3.805 0.229 1.00 0.00 O ATOM 1185 CB ASN A 77 14.653 -5.510 2.162 1.00 0.00 C ATOM 1186 CG ASN A 77 15.231 -4.120 2.239 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.737 -3.296 3.137 1.00 0.00 O flip ATOM 1188 ND2 ASN A 77 16.156 -3.802 1.498 1.00 0.00 N flip ATOM 0 H ASN A 77 14.857 -4.592 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 77 13.480 -6.802 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.025 -5.680 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.467 -6.234 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.513 -4.468 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.568 -2.871 1.567 1.00 0.00 H new ATOM 1195 N VAL A 78 11.615 -5.258 1.632 1.00 0.00 N ATOM 1196 CA VAL A 78 10.266 -4.745 1.549 1.00 0.00 C ATOM 1197 C VAL A 78 9.880 -4.420 2.983 1.00 0.00 C ATOM 1198 O VAL A 78 9.204 -5.194 3.660 1.00 0.00 O ATOM 1199 CB VAL A 78 9.345 -5.792 0.874 1.00 0.00 C ATOM 1200 CG1 VAL A 78 7.946 -5.207 0.660 1.00 0.00 C ATOM 1201 CG2 VAL A 78 9.843 -6.287 -0.488 1.00 0.00 C ATOM 0 H VAL A 78 11.718 -5.985 2.340 1.00 0.00 H new ATOM 0 HA VAL A 78 10.173 -3.852 0.931 1.00 0.00 H new ATOM 0 HB VAL A 78 9.338 -6.640 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.309 -5.953 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.519 -4.924 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.014 -4.327 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.140 -7.017 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.923 -5.444 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.821 -6.753 -0.370 1.00 0.00 H new ATOM 1211 N GLU A 79 10.361 -3.283 3.475 1.00 0.00 N ATOM 1212 CA GLU A 79 10.144 -2.841 4.840 1.00 0.00 C ATOM 1213 C GLU A 79 8.796 -2.128 4.859 1.00 0.00 C ATOM 1214 O GLU A 79 8.683 -0.927 5.097 1.00 0.00 O ATOM 1215 CB GLU A 79 11.313 -1.961 5.277 1.00 0.00 C ATOM 1216 CG GLU A 79 12.630 -2.722 5.420 1.00 0.00 C ATOM 1217 CD GLU A 79 12.834 -3.199 6.852 1.00 0.00 C ATOM 1218 OE1 GLU A 79 12.605 -4.404 7.110 1.00 0.00 O ATOM 1219 OE2 GLU A 79 13.245 -2.368 7.688 1.00 0.00 O ATOM 0 H GLU A 79 10.922 -2.634 2.923 1.00 0.00 H new ATOM 0 HA GLU A 79 10.109 -3.664 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.444 -1.158 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.068 -1.493 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.635 -3.577 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.459 -2.079 5.126 1.00 0.00 H new ATOM 1227 N VAL A 80 7.744 -2.878 4.555 1.00 0.00 N ATOM 1228 CA VAL A 80 6.385 -2.401 4.670 1.00 0.00 C ATOM 1229 C VAL A 80 6.107 -2.526 6.163 1.00 0.00 C ATOM 1230 O VAL A 80 5.859 -3.620 6.682 1.00 0.00 O ATOM 1231 CB VAL A 80 5.455 -3.228 3.771 1.00 0.00 C ATOM 1232 CG1 VAL A 80 3.996 -2.807 3.947 1.00 0.00 C ATOM 1233 CG2 VAL A 80 5.805 -3.048 2.287 1.00 0.00 C ATOM 0 H VAL A 80 7.818 -3.839 4.220 1.00 0.00 H new ATOM 0 HA VAL A 80 6.221 -1.378 4.331 1.00 0.00 H new ATOM 0 HB VAL A 80 5.590 -4.268 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.362 -3.411 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.697 -2.955 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.887 -1.755 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.128 -3.647 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.705 -1.997 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.831 -3.372 2.113 1.00 0.00 H new ATOM 1243 N GLU A 81 6.255 -1.410 6.862 1.00 0.00 N ATOM 1244 CA GLU A 81 5.986 -1.295 8.273 1.00 0.00 C ATOM 1245 C GLU A 81 4.476 -1.180 8.371 1.00 0.00 C ATOM 1246 O GLU A 81 3.814 -0.517 7.562 1.00 0.00 O ATOM 1247 CB GLU A 81 6.685 -0.061 8.852 1.00 0.00 C ATOM 1248 CG GLU A 81 8.115 -0.408 9.275 1.00 0.00 C ATOM 1249 CD GLU A 81 8.948 0.811 9.697 1.00 0.00 C ATOM 1250 OE1 GLU A 81 9.499 0.816 10.826 1.00 0.00 O ATOM 1251 OE2 GLU A 81 9.136 1.759 8.901 1.00 0.00 O ATOM 0 H GLU A 81 6.576 -0.537 6.442 1.00 0.00 H new ATOM 0 HA GLU A 81 6.360 -2.146 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.702 0.737 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.126 0.313 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.078 -1.116 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.617 -0.911 8.448 1.00 0.00 H new ATOM 1259 N LEU A 82 3.929 -1.942 9.310 1.00 0.00 N ATOM 1260 CA LEU A 82 2.500 -2.087 9.476 1.00 0.00 C ATOM 1261 C LEU A 82 2.078 -1.256 10.650 1.00 0.00 C ATOM 1262 O LEU A 82 2.099 -1.707 11.794 1.00 0.00 O ATOM 1263 CB LEU A 82 2.070 -3.557 9.521 1.00 0.00 C ATOM 1264 CG LEU A 82 0.548 -3.731 9.686 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.335 -2.883 8.760 1.00 0.00 C ATOM 1266 CD2 LEU A 82 0.189 -5.199 9.458 1.00 0.00 C ATOM 0 H LEU A 82 4.477 -2.480 9.982 1.00 0.00 H new ATOM 0 HA LEU A 82 1.968 -1.706 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.390 -4.052 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.579 -4.054 10.347 1.00 0.00 H new ATOM 0 HG LEU A 82 0.339 -3.384 10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.385 -3.090 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.133 -1.826 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.115 -3.130 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.887 -5.333 9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.486 -5.494 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.711 -5.819 10.187 1.00 0.00 H new ATOM 1278 N THR A 83 1.671 -0.038 10.332 1.00 0.00 N ATOM 1279 CA THR A 83 1.228 0.895 11.331 1.00 0.00 C ATOM 1280 C THR A 83 -0.191 0.444 11.669 1.00 0.00 C ATOM 1281 O THR A 83 -0.997 0.178 10.769 1.00 0.00 O ATOM 1282 CB THR A 83 1.261 2.334 10.767 1.00 0.00 C ATOM 1283 OG1 THR A 83 2.211 2.519 9.725 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.639 3.317 11.868 1.00 0.00 C ATOM 0 H THR A 83 1.642 0.321 9.378 1.00 0.00 H new ATOM 0 HA THR A 83 1.862 0.910 12.218 1.00 0.00 H new ATOM 0 HB THR A 83 0.261 2.508 10.370 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.834 2.202 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.660 4.328 11.462 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.904 3.264 12.671 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.624 3.063 12.260 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.477 0.296 12.961 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.818 -0.003 13.459 1.00 0.00 C ATOM 1294 C PHE A 84 -2.276 0.927 14.589 1.00 0.00 C ATOM 1295 O PHE A 84 -3.444 0.863 14.982 1.00 0.00 O ATOM 1296 CB PHE A 84 -1.891 -1.476 13.888 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.695 -2.335 12.940 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.056 -2.054 12.714 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.079 -3.399 12.262 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.787 -2.825 11.796 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -2.826 -4.195 11.377 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.178 -3.901 11.136 1.00 0.00 C ATOM 0 H PHE A 84 0.222 0.381 13.699 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.512 0.177 12.638 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.880 -1.876 13.961 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.331 -1.536 14.884 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.537 -1.247 13.246 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.031 -3.606 12.421 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.822 -2.588 11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.360 -5.034 10.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.747 -4.503 10.443 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.400 1.784 15.124 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.805 2.721 16.178 1.00 0.00 C ATOM 1314 C ASP A 85 -2.700 3.842 15.651 1.00 0.00 C ATOM 1315 O ASP A 85 -3.799 4.004 16.181 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.606 3.376 16.881 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.630 3.072 18.373 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -1.511 3.608 19.079 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.223 2.291 18.852 1.00 0.00 O ATOM 0 H ASP A 85 -0.420 1.849 14.850 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.358 2.108 16.890 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.323 3.010 16.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.629 4.454 16.723 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.281 4.635 14.645 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.022 5.824 14.276 1.00 0.00 C ATOM 1327 C PRO A 86 -4.286 5.448 13.489 1.00 0.00 C ATOM 1328 O PRO A 86 -4.319 4.406 12.826 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.060 6.677 13.441 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.139 5.643 12.819 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.017 4.604 13.928 1.00 0.00 C ATOM 0 HA PRO A 86 -3.366 6.378 15.149 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.588 7.255 12.683 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.511 7.387 14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.562 5.218 11.909 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.171 6.069 12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.826 3.613 13.516 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.185 4.838 14.593 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.312 6.306 13.493 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.468 6.170 12.619 1.00 0.00 C ATOM 1341 C PRO A 87 -6.044 6.442 11.169 1.00 0.00 C ATOM 1342 O PRO A 87 -5.265 7.364 10.923 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.493 7.177 13.142 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.680 8.213 13.919 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.363 7.524 14.276 1.00 0.00 C ATOM 0 HA PRO A 87 -6.899 5.169 12.621 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.042 7.641 12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.229 6.692 13.784 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.505 9.104 13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.210 8.533 14.816 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.514 8.168 14.048 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.317 7.302 15.342 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.508 5.619 10.221 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.172 5.708 8.797 1.00 0.00 C ATOM 1355 C TRP A 88 -6.762 6.994 8.200 1.00 0.00 C ATOM 1356 O TRP A 88 -6.082 8.019 8.245 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.519 4.384 8.087 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.783 4.432 6.610 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -5.943 4.826 5.622 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.060 4.190 5.965 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.611 4.786 4.407 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -7.933 4.452 4.574 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.339 3.873 6.456 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.027 4.396 3.706 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.461 3.915 5.610 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.300 4.144 4.232 1.00 0.00 C ATOM 0 H TRP A 88 -7.146 4.851 10.431 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.098 5.813 8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.699 3.687 8.259 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.401 3.965 8.572 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.914 5.124 5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.176 4.980 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.460 3.595 7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.892 4.545 2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.450 3.771 6.020 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.160 4.125 3.578 1.00 0.00 H new ATOM 1377 N THR A 89 -7.974 6.946 7.631 1.00 0.00 N ATOM 1378 CA THR A 89 -8.925 8.015 7.315 1.00 0.00 C ATOM 1379 C THR A 89 -9.855 7.479 6.209 1.00 0.00 C ATOM 1380 O THR A 89 -9.354 7.089 5.159 1.00 0.00 O ATOM 1381 CB THR A 89 -8.222 9.343 6.967 1.00 0.00 C ATOM 1382 OG1 THR A 89 -7.847 10.009 8.153 1.00 0.00 O ATOM 1383 CG2 THR A 89 -9.053 10.324 6.164 1.00 0.00 C ATOM 0 H THR A 89 -8.355 6.044 7.347 1.00 0.00 H new ATOM 0 HA THR A 89 -9.526 8.274 8.187 1.00 0.00 H new ATOM 0 HB THR A 89 -7.374 9.046 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.105 9.529 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.469 11.224 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.339 9.868 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.949 10.587 6.726 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.191 7.481 6.350 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.087 6.964 5.320 1.00 0.00 C ATOM 1393 C PRO A 90 -12.212 7.919 4.127 1.00 0.00 C ATOM 1394 O PRO A 90 -12.685 7.538 3.057 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.405 6.772 6.056 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.437 7.935 7.049 1.00 0.00 C ATOM 1397 CD PRO A 90 -11.963 8.255 7.304 1.00 0.00 C ATOM 0 HA PRO A 90 -11.724 6.039 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.254 6.805 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.443 5.809 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.965 8.795 6.637 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.949 7.657 7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.773 9.321 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.683 7.998 8.326 1.00 0.00 H new ATOM 1405 N GLU A 91 -11.761 9.157 4.310 1.00 0.00 N ATOM 1406 CA GLU A 91 -11.801 10.263 3.383 1.00 0.00 C ATOM 1407 C GLU A 91 -10.823 10.043 2.215 1.00 0.00 C ATOM 1408 O GLU A 91 -10.973 10.636 1.153 1.00 0.00 O ATOM 1409 CB GLU A 91 -11.385 11.483 4.222 1.00 0.00 C ATOM 1410 CG GLU A 91 -11.911 12.808 3.718 1.00 0.00 C ATOM 1411 CD GLU A 91 -11.003 13.935 4.216 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -11.173 14.375 5.374 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -10.032 14.287 3.505 1.00 0.00 O ATOM 0 H GLU A 91 -11.322 9.426 5.190 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.785 10.385 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.730 11.337 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.296 11.529 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.946 12.808 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.931 12.965 4.069 1.00 0.00 H new ATOM 1421 N ARG A 92 -9.808 9.188 2.407 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.657 9.049 1.512 1.00 0.00 C ATOM 1423 C ARG A 92 -8.986 8.429 0.154 1.00 0.00 C ATOM 1424 O ARG A 92 -8.211 8.582 -0.798 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.610 8.173 2.195 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.055 8.782 3.483 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.668 8.227 3.755 1.00 0.00 C ATOM 1428 NE ARG A 92 -4.942 8.990 4.783 1.00 0.00 N ATOM 1429 CZ ARG A 92 -3.619 9.171 4.752 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -2.871 8.483 3.898 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -3.038 10.024 5.586 1.00 0.00 N ATOM 0 H ARG A 92 -9.767 8.560 3.210 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.297 10.059 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.051 7.202 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.788 7.995 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.012 9.868 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.718 8.556 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.753 7.188 4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.091 8.232 2.830 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.472 9.398 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.306 7.814 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.861 8.624 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.602 10.546 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.027 10.157 5.557 1.00 0.00 H new ATOM 1445 N MET A 93 -10.081 7.671 0.100 1.00 0.00 N ATOM 1446 CA MET A 93 -10.552 6.941 -1.071 1.00 0.00 C ATOM 1447 C MET A 93 -10.909 7.886 -2.226 1.00 0.00 C ATOM 1448 O MET A 93 -10.890 9.111 -2.078 1.00 0.00 O ATOM 1449 CB MET A 93 -11.765 6.086 -0.676 1.00 0.00 C ATOM 1450 CG MET A 93 -11.411 5.031 0.378 1.00 0.00 C ATOM 1451 SD MET A 93 -12.667 3.746 0.602 1.00 0.00 S ATOM 1452 CE MET A 93 -14.039 4.731 1.237 1.00 0.00 C ATOM 0 H MET A 93 -10.689 7.545 0.909 1.00 0.00 H new ATOM 0 HA MET A 93 -9.747 6.297 -1.425 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.553 6.733 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.163 5.592 -1.562 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.470 4.557 0.098 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.245 5.530 1.333 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.491 4.220 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.670 5.707 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.786 4.862 0.454 1.00 0.00 H new ATOM 1462 N SER A 94 -11.253 7.330 -3.393 1.00 0.00 N ATOM 1463 CA SER A 94 -11.810 8.120 -4.486 1.00 0.00 C ATOM 1464 C SER A 94 -13.047 8.900 -4.019 1.00 0.00 C ATOM 1465 O SER A 94 -13.820 8.409 -3.193 1.00 0.00 O ATOM 1466 CB SER A 94 -12.134 7.216 -5.677 1.00 0.00 C ATOM 1467 OG SER A 94 -10.955 6.585 -6.145 1.00 0.00 O ATOM 0 H SER A 94 -11.154 6.336 -3.600 1.00 0.00 H new ATOM 0 HA SER A 94 -11.067 8.850 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.866 6.464 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.584 7.803 -6.478 1.00 0.00 H new ATOM 0 HG SER A 94 -11.173 6.007 -6.906 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.279 10.094 -4.583 1.00 0.00 N ATOM 1474 CA PRO A 95 -14.241 11.059 -4.068 1.00 0.00 C ATOM 1475 C PRO A 95 -15.666 10.536 -4.149 1.00 0.00 C ATOM 1476 O PRO A 95 -16.493 10.801 -3.280 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.074 12.295 -4.955 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.505 11.732 -6.256 1.00 0.00 C ATOM 1479 CD PRO A 95 -12.591 10.645 -5.734 1.00 0.00 C ATOM 0 HA PRO A 95 -14.062 11.272 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.025 12.801 -5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.399 13.023 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.284 11.336 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.963 12.485 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.415 9.881 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.617 11.048 -5.456 1.00 0.00 H new ATOM 1487 N GLU A 96 -15.934 9.768 -5.192 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.249 9.250 -5.509 1.00 0.00 C ATOM 1489 C GLU A 96 -17.658 8.228 -4.441 1.00 0.00 C ATOM 1490 O GLU A 96 -18.837 8.113 -4.105 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.123 8.661 -6.919 1.00 0.00 C ATOM 1492 CG GLU A 96 -18.422 8.552 -7.716 1.00 0.00 C ATOM 1493 CD GLU A 96 -18.112 8.506 -9.220 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -18.735 9.283 -9.979 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -17.267 7.680 -9.650 1.00 0.00 O ATOM 0 H GLU A 96 -15.219 9.481 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.036 10.004 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.422 9.273 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -16.685 7.666 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.966 7.655 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -19.067 9.403 -7.495 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.662 7.545 -3.856 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.844 6.598 -2.772 1.00 0.00 C ATOM 1505 C LEU A 97 -17.029 7.282 -1.432 1.00 0.00 C ATOM 1506 O LEU A 97 -17.687 6.686 -0.586 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.644 5.659 -2.617 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.298 4.829 -3.856 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -14.153 3.908 -3.460 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.475 3.981 -4.338 1.00 0.00 C ATOM 0 H LEU A 97 -15.687 7.647 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.740 6.039 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.772 6.253 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.840 4.979 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.034 5.499 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.869 3.293 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.298 4.506 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.471 3.265 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -16.177 3.412 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.777 3.294 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.312 4.631 -4.592 1.00 0.00 H new ATOM 1522 N ARG A 98 -16.471 8.482 -1.215 1.00 0.00 N ATOM 1523 CA ARG A 98 -16.680 9.208 0.040 1.00 0.00 C ATOM 1524 C ARG A 98 -18.184 9.335 0.250 1.00 0.00 C ATOM 1525 O ARG A 98 -18.726 8.828 1.231 1.00 0.00 O ATOM 1526 CB ARG A 98 -15.999 10.596 0.047 1.00 0.00 C ATOM 1527 CG ARG A 98 -14.464 10.559 0.140 1.00 0.00 C ATOM 1528 CD ARG A 98 -13.819 11.919 -0.183 1.00 0.00 C ATOM 1529 NE ARG A 98 -14.261 13.032 0.680 1.00 0.00 N ATOM 1530 CZ ARG A 98 -14.093 14.334 0.410 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -13.389 14.713 -0.646 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -14.622 15.267 1.193 1.00 0.00 N ATOM 0 H ARG A 98 -15.876 8.965 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.218 8.653 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -16.282 11.129 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -16.386 11.171 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.172 10.252 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.080 9.806 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.737 11.821 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.038 12.172 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.732 12.791 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.971 14.013 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.265 15.705 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.165 14.997 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.485 16.254 0.974 1.00 0.00 H new ATOM 1546 N GLU A 99 -18.863 9.914 -0.733 1.00 0.00 N ATOM 1547 CA GLU A 99 -20.279 10.170 -0.681 1.00 0.00 C ATOM 1548 C GLU A 99 -21.098 8.873 -0.666 1.00 0.00 C ATOM 1549 O GLU A 99 -22.104 8.795 0.037 1.00 0.00 O ATOM 1550 CB GLU A 99 -20.599 11.016 -1.910 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.870 11.821 -1.681 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.436 12.295 -3.015 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -23.555 11.852 -3.375 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -21.701 13.002 -3.739 1.00 0.00 O ATOM 0 H GLU A 99 -18.426 10.221 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.545 10.689 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -19.768 11.688 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.720 10.372 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.608 11.211 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.657 12.678 -1.042 1.00 0.00 H new ATOM 1562 N LYS A 100 -20.694 7.845 -1.430 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.402 6.563 -1.424 1.00 0.00 C ATOM 1564 C LYS A 100 -21.345 5.945 -0.027 1.00 0.00 C ATOM 1565 O LYS A 100 -22.386 5.580 0.521 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.849 5.609 -2.501 1.00 0.00 C ATOM 1567 CG LYS A 100 -21.709 4.334 -2.586 1.00 0.00 C ATOM 1568 CD LYS A 100 -21.056 3.195 -3.377 1.00 0.00 C ATOM 1569 CE LYS A 100 -21.085 3.421 -4.891 1.00 0.00 C ATOM 1570 NZ LYS A 100 -20.823 2.171 -5.634 1.00 0.00 N ATOM 0 H LYS A 100 -19.887 7.880 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.448 6.739 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.836 6.111 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.818 5.344 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.924 3.985 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -22.665 4.582 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -20.022 3.082 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -21.567 2.260 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -22.057 3.820 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.340 4.169 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.850 2.362 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.885 1.804 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.549 1.466 -5.394 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.140 5.772 0.525 1.00 0.00 N ATOM 1585 CA PHE A 101 -19.958 5.129 1.820 1.00 0.00 C ATOM 1586 C PHE A 101 -20.588 5.957 2.946 1.00 0.00 C ATOM 1587 O PHE A 101 -21.096 5.367 3.902 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.466 4.891 2.100 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.811 3.693 1.419 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.899 3.495 0.026 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.045 2.794 2.188 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.233 2.418 -0.581 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -16.352 1.734 1.578 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.452 1.541 0.190 1.00 0.00 C ATOM 0 H PHE A 101 -19.270 6.074 0.085 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.466 4.165 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -17.920 5.787 1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.338 4.779 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -18.482 4.175 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -16.990 2.921 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.322 2.263 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -15.744 1.070 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.931 0.722 -0.282 1.00 0.00 H new ATOM 1604 N GLY A 102 -20.566 7.289 2.850 1.00 0.00 N ATOM 1605 CA GLY A 102 -21.184 8.188 3.812 1.00 0.00 C ATOM 1606 C GLY A 102 -20.102 8.832 4.661 1.00 0.00 C ATOM 1607 O GLY A 102 -20.083 8.679 5.885 1.00 0.00 O ATOM 0 H GLY A 102 -20.106 7.777 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.760 8.954 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.881 7.639 4.445 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.154 9.505 4.014 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.121 10.297 4.655 1.00 0.00 C ATOM 1613 C VAL A 103 -17.961 11.574 3.861 1.00 0.00 C ATOM 1614 O VAL A 103 -18.305 11.624 2.660 1.00 0.00 O ATOM 1615 CB VAL A 103 -16.812 9.499 4.833 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -16.980 8.378 5.867 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -16.248 8.915 3.534 1.00 0.00 C ATOM 0 H VAL A 103 -19.086 9.511 2.996 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.410 10.558 5.673 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.087 10.231 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.041 7.834 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.257 8.809 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -17.762 7.693 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.329 8.370 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.978 8.236 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.036 9.723 2.834 1.00 0.00 H new