USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 Single : A 8 SER OG : rot 180:sc= -0.668 USER MOD Single : A 9 MET CE :methyl 150:sc= -0.109 (180deg=-1.8!) USER MOD Single : A 10 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -76:sc= 0.555 USER MOD Single : A 17 THR OG1 : rot -45:sc= 0.98 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -34:sc= 0.1 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.99) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00286) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= 0.676 (180deg=-0.226) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.046) USER MOD Single : A 49 GLN :FLIP amide:sc= -3.7 F(o=-4.5,f=-3.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.526 K(o=-0.53,f=-2.5!) USER MOD Single : A 63 THR OG1 : rot 58:sc= -0.401 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 120:sc= -0.433 USER MOD Single : A 68 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.072) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 100:sc= -2.64! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -5.017 9.797 -16.220 1.00 0.00 N ATOM 100 CA SER A 8 -6.130 10.252 -15.395 1.00 0.00 C ATOM 101 C SER A 8 -6.759 11.513 -15.980 1.00 0.00 C ATOM 102 O SER A 8 -6.067 12.491 -16.264 1.00 0.00 O ATOM 103 CB SER A 8 -5.656 10.521 -13.966 1.00 0.00 C ATOM 104 OG SER A 8 -5.928 9.415 -13.122 1.00 0.00 O ATOM 0 HA SER A 8 -6.884 9.465 -15.378 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.586 10.727 -13.967 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.151 11.410 -13.576 1.00 0.00 H new ATOM 0 HG SER A 8 -5.614 9.611 -12.215 1.00 0.00 H new ATOM 110 N MET A 9 -8.076 11.483 -16.157 1.00 0.00 N ATOM 111 CA MET A 9 -8.799 12.623 -16.707 1.00 0.00 C ATOM 112 C MET A 9 -9.830 13.145 -15.710 1.00 0.00 C ATOM 113 O MET A 9 -10.253 12.424 -14.808 1.00 0.00 O ATOM 114 CB MET A 9 -9.490 12.234 -18.015 1.00 0.00 C ATOM 115 CG MET A 9 -10.734 11.384 -17.816 1.00 0.00 C ATOM 116 SD MET A 9 -10.696 9.861 -18.781 1.00 0.00 S ATOM 117 CE MET A 9 -11.597 8.753 -17.700 1.00 0.00 C ATOM 0 H MET A 9 -8.664 10.682 -15.927 1.00 0.00 H new ATOM 0 HA MET A 9 -8.078 13.416 -16.907 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.762 13.140 -18.556 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.784 11.689 -18.641 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.836 11.137 -16.759 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.614 11.964 -18.094 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.115 8.003 -18.298 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.900 8.260 -17.022 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.325 9.321 -17.121 1.00 0.00 H new ATOM 127 N GLN A 10 -10.228 14.402 -15.881 1.00 0.00 N ATOM 128 CA GLN A 10 -11.208 15.019 -14.995 1.00 0.00 C ATOM 129 C GLN A 10 -12.613 14.910 -15.578 1.00 0.00 C ATOM 130 O GLN A 10 -12.804 15.027 -16.789 1.00 0.00 O ATOM 131 CB GLN A 10 -10.855 16.488 -14.754 1.00 0.00 C ATOM 132 CG GLN A 10 -11.144 17.386 -15.946 1.00 0.00 C ATOM 133 CD GLN A 10 -10.097 18.467 -16.129 1.00 0.00 C ATOM 134 OE1 GLN A 10 -8.896 18.194 -16.105 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.547 19.702 -16.315 1.00 0.00 N ATOM 0 H GLN A 10 -9.887 15.012 -16.624 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.187 14.487 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.415 16.851 -13.892 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.797 16.562 -14.502 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.196 16.779 -16.850 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.122 17.850 -15.818 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.551 19.883 -16.328 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.889 20.470 -16.445 1.00 0.00 H new ATOM 144 N ILE A 11 -13.593 14.686 -14.709 1.00 0.00 N ATOM 145 CA ILE A 11 -14.980 14.562 -15.138 1.00 0.00 C ATOM 146 C ILE A 11 -15.877 15.541 -14.387 1.00 0.00 C ATOM 147 O ILE A 11 -15.447 16.186 -13.431 1.00 0.00 O ATOM 148 CB ILE A 11 -15.510 13.132 -14.925 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.420 12.746 -13.447 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.732 12.146 -15.784 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.943 11.358 -13.152 1.00 0.00 C ATOM 0 H ILE A 11 -13.452 14.587 -13.704 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.003 14.794 -16.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.557 13.099 -15.226 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.380 12.809 -13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.981 13.470 -12.856 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.118 11.139 -15.623 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.843 12.413 -16.835 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.677 12.178 -15.510 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.848 11.152 -12.086 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.992 11.295 -13.442 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.366 10.625 -13.716 1.00 0.00 H new ATOM 163 N PHE A 12 -17.126 15.647 -14.827 1.00 0.00 N ATOM 164 CA PHE A 12 -18.085 16.547 -14.197 1.00 0.00 C ATOM 165 C PHE A 12 -19.185 15.761 -13.489 1.00 0.00 C ATOM 166 O PHE A 12 -19.813 14.881 -14.078 1.00 0.00 O ATOM 167 CB PHE A 12 -18.702 17.481 -15.240 1.00 0.00 C ATOM 168 CG PHE A 12 -17.688 18.305 -15.980 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.826 19.147 -15.296 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.595 18.237 -17.361 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.893 19.907 -15.975 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.663 18.995 -18.046 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.810 19.830 -17.351 1.00 0.00 C ATOM 0 H PHE A 12 -17.498 15.121 -15.618 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.553 17.142 -13.455 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -19.270 16.888 -15.957 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.410 18.147 -14.746 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.884 19.210 -14.219 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.258 17.584 -17.909 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.229 20.561 -15.430 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.602 18.934 -19.123 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.080 20.422 -17.883 1.00 0.00 H new ATOM 183 N VAL A 13 -19.411 16.084 -12.219 1.00 0.00 N ATOM 184 CA VAL A 13 -20.434 15.409 -11.429 1.00 0.00 C ATOM 185 C VAL A 13 -21.370 16.415 -10.769 1.00 0.00 C ATOM 186 O VAL A 13 -20.929 17.431 -10.232 1.00 0.00 O ATOM 187 CB VAL A 13 -19.806 14.517 -10.342 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.874 13.674 -9.661 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.719 13.636 -10.938 1.00 0.00 C ATOM 0 H VAL A 13 -18.899 16.809 -11.716 1.00 0.00 H new ATOM 0 HA VAL A 13 -21.004 14.783 -12.116 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.349 15.159 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.412 13.050 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.613 14.328 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.363 13.039 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.286 13.012 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.149 13.001 -11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.941 14.263 -11.374 1.00 0.00 H new ATOM 199 N LYS A 14 -22.666 16.125 -10.811 1.00 0.00 N ATOM 200 CA LYS A 14 -23.667 17.002 -10.215 1.00 0.00 C ATOM 201 C LYS A 14 -24.050 16.521 -8.819 1.00 0.00 C ATOM 202 O LYS A 14 -24.411 15.359 -8.629 1.00 0.00 O ATOM 203 CB LYS A 14 -24.911 17.067 -11.103 1.00 0.00 C ATOM 204 CG LYS A 14 -24.925 18.259 -12.045 1.00 0.00 C ATOM 205 CD LYS A 14 -24.280 17.921 -13.380 1.00 0.00 C ATOM 206 CE LYS A 14 -23.678 19.154 -14.035 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.727 20.067 -14.569 1.00 0.00 N ATOM 0 H LYS A 14 -23.048 15.288 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.236 18.000 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.977 16.151 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.797 17.105 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.953 18.583 -12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.396 19.094 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.503 17.171 -13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.024 17.481 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.066 19.689 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.016 18.848 -14.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.276 20.895 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.295 19.565 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.344 20.379 -13.792 1.00 0.00 H new ATOM 221 N THR A 15 -23.970 17.422 -7.845 1.00 0.00 N ATOM 222 CA THR A 15 -24.309 17.090 -6.467 1.00 0.00 C ATOM 223 C THR A 15 -25.776 17.383 -6.175 1.00 0.00 C ATOM 224 O THR A 15 -26.502 17.887 -7.034 1.00 0.00 O ATOM 225 CB THR A 15 -23.433 17.871 -5.469 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.630 19.278 -5.642 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.962 17.532 -5.660 1.00 0.00 C ATOM 0 H THR A 15 -23.673 18.388 -7.985 1.00 0.00 H new ATOM 0 HA THR A 15 -24.123 16.023 -6.345 1.00 0.00 H new ATOM 0 HB THR A 15 -23.727 17.585 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.159 19.578 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.363 18.095 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.811 16.465 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.657 17.793 -6.673 1.00 0.00 H new ATOM 235 N LEU A 16 -26.208 17.065 -4.960 1.00 0.00 N ATOM 236 CA LEU A 16 -27.590 17.296 -4.555 1.00 0.00 C ATOM 237 C LEU A 16 -27.836 18.775 -4.274 1.00 0.00 C ATOM 238 O LEU A 16 -28.974 19.245 -4.309 1.00 0.00 O ATOM 239 CB LEU A 16 -27.923 16.467 -3.312 1.00 0.00 C ATOM 240 CG LEU A 16 -27.744 14.955 -3.447 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.544 14.318 -2.081 1.00 0.00 C ATOM 242 CD2 LEU A 16 -28.940 14.337 -4.156 1.00 0.00 C ATOM 0 H LEU A 16 -25.621 16.647 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.239 16.988 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.298 16.815 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.957 16.667 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.854 14.766 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.418 13.241 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.656 14.739 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.415 14.517 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.795 13.260 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -29.845 14.536 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -29.038 14.772 -5.151 1.00 0.00 H new ATOM 254 N THR A 17 -26.761 19.506 -3.997 1.00 0.00 N ATOM 255 CA THR A 17 -26.859 20.932 -3.712 1.00 0.00 C ATOM 256 C THR A 17 -26.626 21.762 -4.969 1.00 0.00 C ATOM 257 O THR A 17 -26.143 22.891 -4.899 1.00 0.00 O ATOM 258 CB THR A 17 -25.846 21.360 -2.633 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.056 22.732 -2.281 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.419 21.171 -3.126 1.00 0.00 C ATOM 0 H THR A 17 -25.812 19.134 -3.964 1.00 0.00 H new ATOM 0 HA THR A 17 -27.869 21.112 -3.344 1.00 0.00 H new ATOM 0 HB THR A 17 -25.997 20.733 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.175 23.264 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.721 21.480 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.253 20.121 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.259 21.777 -4.018 1.00 0.00 H new ATOM 268 N GLY A 18 -26.974 21.194 -6.120 1.00 0.00 N ATOM 269 CA GLY A 18 -26.796 21.896 -7.378 1.00 0.00 C ATOM 270 C GLY A 18 -25.386 22.425 -7.552 1.00 0.00 C ATOM 271 O GLY A 18 -25.182 23.497 -8.122 1.00 0.00 O ATOM 0 H GLY A 18 -27.376 20.260 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.033 21.224 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.501 22.726 -7.431 1.00 0.00 H new ATOM 275 N LYS A 19 -24.408 21.673 -7.057 1.00 0.00 N ATOM 276 CA LYS A 19 -23.009 22.071 -7.160 1.00 0.00 C ATOM 277 C LYS A 19 -22.222 21.077 -8.007 1.00 0.00 C ATOM 278 O LYS A 19 -22.212 19.877 -7.729 1.00 0.00 O ATOM 279 CB LYS A 19 -22.385 22.177 -5.767 1.00 0.00 C ATOM 280 CG LYS A 19 -20.921 22.581 -5.787 1.00 0.00 C ATOM 281 CD LYS A 19 -20.008 21.368 -5.853 1.00 0.00 C ATOM 282 CE LYS A 19 -18.715 21.600 -5.086 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.852 21.245 -3.646 1.00 0.00 N ATOM 0 H LYS A 19 -24.559 20.784 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.969 23.046 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.946 22.905 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.482 21.217 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.733 23.226 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.691 23.162 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.524 20.500 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.779 21.140 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.917 21.006 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.422 22.646 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.950 21.417 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.596 21.829 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.106 20.240 -3.559 1.00 0.00 H new ATOM 297 N THR A 20 -21.560 21.583 -9.043 1.00 0.00 N ATOM 298 CA THR A 20 -20.769 20.740 -9.931 1.00 0.00 C ATOM 299 C THR A 20 -19.345 20.578 -9.411 1.00 0.00 C ATOM 300 O THR A 20 -18.612 21.558 -9.267 1.00 0.00 O ATOM 301 CB THR A 20 -20.720 21.317 -11.358 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.888 22.107 -11.607 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.626 20.203 -12.389 1.00 0.00 C ATOM 0 H THR A 20 -21.556 22.573 -9.288 1.00 0.00 H new ATOM 0 HA THR A 20 -21.256 19.765 -9.958 1.00 0.00 H new ATOM 0 HB THR A 20 -19.833 21.944 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.849 22.472 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.593 20.635 -13.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.721 19.621 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.497 19.553 -12.303 1.00 0.00 H new ATOM 311 N ILE A 21 -18.959 19.338 -9.133 1.00 0.00 N ATOM 312 CA ILE A 21 -17.621 19.049 -8.631 1.00 0.00 C ATOM 313 C ILE A 21 -16.812 18.252 -9.649 1.00 0.00 C ATOM 314 O ILE A 21 -17.303 17.282 -10.227 1.00 0.00 O ATOM 315 CB ILE A 21 -17.674 18.265 -7.306 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.263 17.871 -6.865 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.552 17.032 -7.455 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.859 16.480 -7.303 1.00 0.00 C ATOM 0 H ILE A 21 -19.553 18.517 -9.247 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.135 20.009 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.109 18.906 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.551 18.591 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.200 17.934 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.579 16.489 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.562 17.336 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.144 16.387 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.848 16.269 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.549 15.750 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.889 16.418 -8.391 1.00 0.00 H new ATOM 330 N THR A 22 -15.567 18.667 -9.863 1.00 0.00 N ATOM 331 CA THR A 22 -14.689 17.991 -10.810 1.00 0.00 C ATOM 332 C THR A 22 -13.887 16.890 -10.127 1.00 0.00 C ATOM 333 O THR A 22 -13.141 17.147 -9.181 1.00 0.00 O ATOM 334 CB THR A 22 -13.716 18.981 -11.478 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.372 20.233 -11.708 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.198 18.425 -12.795 1.00 0.00 C ATOM 0 H THR A 22 -15.144 19.468 -9.393 1.00 0.00 H new ATOM 0 HA THR A 22 -15.328 17.549 -11.574 1.00 0.00 H new ATOM 0 HB THR A 22 -12.870 19.132 -10.808 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.746 20.857 -12.131 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.513 19.142 -13.248 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.674 17.487 -12.613 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.036 18.247 -13.470 1.00 0.00 H new ATOM 344 N LEU A 23 -14.043 15.663 -10.612 1.00 0.00 N ATOM 345 CA LEU A 23 -13.331 14.521 -10.048 1.00 0.00 C ATOM 346 C LEU A 23 -12.324 13.960 -11.047 1.00 0.00 C ATOM 347 O LEU A 23 -12.528 14.038 -12.258 1.00 0.00 O ATOM 348 CB LEU A 23 -14.321 13.431 -9.637 1.00 0.00 C ATOM 349 CG LEU A 23 -13.923 12.584 -8.427 1.00 0.00 C ATOM 350 CD1 LEU A 23 -14.048 13.392 -7.145 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.777 11.326 -8.352 1.00 0.00 C ATOM 0 H LEU A 23 -14.656 15.433 -11.394 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.788 14.861 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.281 13.901 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.472 12.766 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.881 12.286 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.761 12.773 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.393 14.262 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -15.080 13.721 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.480 10.736 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.827 11.604 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.637 10.736 -9.258 1.00 0.00 H new ATOM 363 N GLU A 24 -11.239 13.393 -10.530 1.00 0.00 N ATOM 364 CA GLU A 24 -10.201 12.817 -11.377 1.00 0.00 C ATOM 365 C GLU A 24 -10.184 11.296 -11.259 1.00 0.00 C ATOM 366 O GLU A 24 -10.051 10.748 -10.165 1.00 0.00 O ATOM 367 CB GLU A 24 -8.831 13.384 -11.001 1.00 0.00 C ATOM 368 CG GLU A 24 -8.358 14.496 -11.922 1.00 0.00 C ATOM 369 CD GLU A 24 -7.688 13.970 -13.176 1.00 0.00 C ATOM 370 OE1 GLU A 24 -7.972 12.816 -13.560 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.879 14.710 -13.773 1.00 0.00 O ATOM 0 H GLU A 24 -11.056 13.320 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.424 13.081 -12.411 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.872 13.763 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.098 12.578 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.209 15.117 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.660 15.137 -11.383 1.00 0.00 H new ATOM 378 N VAL A 25 -10.320 10.618 -12.395 1.00 0.00 N ATOM 379 CA VAL A 25 -10.320 9.161 -12.420 1.00 0.00 C ATOM 380 C VAL A 25 -9.652 8.633 -13.684 1.00 0.00 C ATOM 381 O VAL A 25 -9.761 9.234 -14.752 1.00 0.00 O ATOM 382 CB VAL A 25 -11.751 8.598 -12.336 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.614 9.162 -13.454 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.729 7.078 -12.384 1.00 0.00 C ATOM 0 H VAL A 25 -10.432 11.055 -13.310 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.755 8.830 -11.548 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.187 8.903 -11.385 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.621 8.753 -13.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.656 10.248 -13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.184 8.890 -14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.749 6.697 -12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.274 6.750 -13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.149 6.696 -11.544 1.00 0.00 H new ATOM 394 N GLU A 26 -8.961 7.505 -13.555 1.00 0.00 N ATOM 395 CA GLU A 26 -8.274 6.896 -14.689 1.00 0.00 C ATOM 396 C GLU A 26 -9.276 6.325 -15.689 1.00 0.00 C ATOM 397 O GLU A 26 -10.401 5.967 -15.342 1.00 0.00 O ATOM 398 CB GLU A 26 -7.330 5.792 -14.209 1.00 0.00 C ATOM 399 CG GLU A 26 -6.533 6.168 -12.971 1.00 0.00 C ATOM 400 CD GLU A 26 -5.498 5.122 -12.603 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.999 4.434 -13.518 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.188 4.992 -11.401 1.00 0.00 O ATOM 0 H GLU A 26 -8.862 6.994 -12.678 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.691 7.671 -15.187 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.912 4.895 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.639 5.541 -15.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.035 7.123 -13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.216 6.309 -12.133 1.00 0.00 H new ATOM 409 N PRO A 27 -8.858 6.239 -16.960 1.00 0.00 N ATOM 410 CA PRO A 27 -9.702 5.713 -18.037 1.00 0.00 C ATOM 411 C PRO A 27 -9.936 4.212 -17.909 1.00 0.00 C ATOM 412 O PRO A 27 -10.899 3.675 -18.457 1.00 0.00 O ATOM 413 CB PRO A 27 -8.898 6.023 -19.302 1.00 0.00 C ATOM 414 CG PRO A 27 -7.482 6.096 -18.843 1.00 0.00 C ATOM 415 CD PRO A 27 -7.529 6.648 -17.445 1.00 0.00 C ATOM 0 HA PRO A 27 -10.697 6.158 -18.029 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.030 5.246 -20.055 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.217 6.963 -19.753 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.015 5.111 -18.858 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.892 6.738 -19.497 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.732 6.239 -16.825 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.415 7.732 -17.437 1.00 0.00 H new ATOM 423 N SER A 28 -9.049 3.539 -17.182 1.00 0.00 N ATOM 424 CA SER A 28 -9.158 2.098 -16.986 1.00 0.00 C ATOM 425 C SER A 28 -9.719 1.779 -15.603 1.00 0.00 C ATOM 426 O SER A 28 -10.136 0.653 -15.335 1.00 0.00 O ATOM 427 CB SER A 28 -7.791 1.434 -17.159 1.00 0.00 C ATOM 428 OG SER A 28 -7.904 0.021 -17.144 1.00 0.00 O ATOM 0 H SER A 28 -8.248 3.968 -16.719 1.00 0.00 H new ATOM 0 HA SER A 28 -9.843 1.705 -17.737 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.343 1.756 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.123 1.757 -16.361 1.00 0.00 H new ATOM 0 HG SER A 28 -8.618 -0.244 -16.527 1.00 0.00 H new ATOM 434 N ASP A 29 -9.726 2.780 -14.729 1.00 0.00 N ATOM 435 CA ASP A 29 -10.236 2.609 -13.374 1.00 0.00 C ATOM 436 C ASP A 29 -11.730 2.296 -13.392 1.00 0.00 C ATOM 437 O ASP A 29 -12.408 2.506 -14.398 1.00 0.00 O ATOM 438 CB ASP A 29 -9.975 3.867 -12.545 1.00 0.00 C ATOM 439 CG ASP A 29 -8.628 3.834 -11.851 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.811 2.951 -12.185 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.392 4.690 -10.972 1.00 0.00 O ATOM 0 H ASP A 29 -9.384 3.719 -14.935 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.712 1.769 -12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.025 4.742 -13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.762 3.977 -11.799 1.00 0.00 H new ATOM 446 N THR A 30 -12.237 1.793 -12.271 1.00 0.00 N ATOM 447 CA THR A 30 -13.649 1.449 -12.157 1.00 0.00 C ATOM 448 C THR A 30 -14.376 2.412 -11.226 1.00 0.00 C ATOM 449 O THR A 30 -13.752 3.252 -10.576 1.00 0.00 O ATOM 450 CB THR A 30 -13.837 0.011 -11.640 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.465 -0.065 -10.259 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.003 -0.970 -12.450 1.00 0.00 C ATOM 0 H THR A 30 -11.690 1.615 -11.428 1.00 0.00 H new ATOM 0 HA THR A 30 -14.075 1.525 -13.158 1.00 0.00 H new ATOM 0 HB THR A 30 -14.888 -0.256 -11.748 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.589 -0.982 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.153 -1.979 -12.066 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.309 -0.931 -13.496 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.949 -0.704 -12.370 1.00 0.00 H new ATOM 460 N ILE A 31 -15.697 2.285 -11.165 1.00 0.00 N ATOM 461 CA ILE A 31 -16.508 3.143 -10.310 1.00 0.00 C ATOM 462 C ILE A 31 -15.983 3.147 -8.878 1.00 0.00 C ATOM 463 O ILE A 31 -16.128 4.133 -8.157 1.00 0.00 O ATOM 464 CB ILE A 31 -17.983 2.699 -10.304 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.515 2.601 -11.735 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.824 3.668 -9.485 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.362 3.882 -12.525 1.00 0.00 C ATOM 0 H ILE A 31 -16.229 1.596 -11.697 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.442 4.151 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.049 1.713 -9.844 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.992 1.798 -12.255 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.569 2.326 -11.704 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.864 3.341 -9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.456 3.692 -8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.755 4.666 -9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.760 3.740 -13.530 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.909 4.683 -12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.307 4.147 -12.587 1.00 0.00 H new ATOM 479 N GLU A 32 -15.373 2.037 -8.475 1.00 0.00 N ATOM 480 CA GLU A 32 -14.826 1.914 -7.129 1.00 0.00 C ATOM 481 C GLU A 32 -13.758 2.974 -6.876 1.00 0.00 C ATOM 482 O GLU A 32 -13.632 3.492 -5.767 1.00 0.00 O ATOM 483 CB GLU A 32 -14.233 0.518 -6.921 1.00 0.00 C ATOM 484 CG GLU A 32 -15.218 -0.607 -7.190 1.00 0.00 C ATOM 485 CD GLU A 32 -16.504 -0.458 -6.401 1.00 0.00 C ATOM 486 OE1 GLU A 32 -17.439 0.196 -6.909 1.00 0.00 O ATOM 487 OE2 GLU A 32 -16.576 -0.995 -5.276 1.00 0.00 O ATOM 0 H GLU A 32 -15.245 1.211 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.639 2.066 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.370 0.398 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.871 0.435 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.450 -0.634 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.752 -1.560 -6.941 1.00 0.00 H new ATOM 494 N ASN A 33 -12.991 3.292 -7.914 1.00 0.00 N ATOM 495 CA ASN A 33 -11.932 4.290 -7.805 1.00 0.00 C ATOM 496 C ASN A 33 -12.512 5.701 -7.816 1.00 0.00 C ATOM 497 O ASN A 33 -11.964 6.614 -7.199 1.00 0.00 O ATOM 498 CB ASN A 33 -10.931 4.129 -8.951 1.00 0.00 C ATOM 499 CG ASN A 33 -9.495 4.110 -8.465 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.846 3.064 -8.450 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.991 5.272 -8.065 1.00 0.00 N ATOM 0 H ASN A 33 -13.083 2.874 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.417 4.135 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.143 3.204 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.061 4.946 -9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.030 5.322 -7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.565 6.114 -8.095 1.00 0.00 H new ATOM 508 N VAL A 34 -13.625 5.872 -8.522 1.00 0.00 N ATOM 509 CA VAL A 34 -14.281 7.171 -8.612 1.00 0.00 C ATOM 510 C VAL A 34 -14.787 7.628 -7.248 1.00 0.00 C ATOM 511 O VAL A 34 -14.481 8.732 -6.798 1.00 0.00 O ATOM 512 CB VAL A 34 -15.462 7.136 -9.600 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.159 8.488 -9.648 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.987 6.722 -10.984 1.00 0.00 C ATOM 0 H VAL A 34 -14.091 5.127 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.534 7.878 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.182 6.395 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.991 8.444 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.535 8.739 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.451 9.251 -9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.835 6.703 -11.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.246 7.436 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.539 5.730 -10.933 1.00 0.00 H new ATOM 524 N LYS A 35 -15.562 6.770 -6.594 1.00 0.00 N ATOM 525 CA LYS A 35 -16.110 7.083 -5.279 1.00 0.00 C ATOM 526 C LYS A 35 -14.995 7.354 -4.275 1.00 0.00 C ATOM 527 O LYS A 35 -15.180 8.099 -3.313 1.00 0.00 O ATOM 528 CB LYS A 35 -16.989 5.932 -4.783 1.00 0.00 C ATOM 529 CG LYS A 35 -16.294 4.582 -4.809 1.00 0.00 C ATOM 530 CD LYS A 35 -17.159 3.497 -4.190 1.00 0.00 C ATOM 531 CE LYS A 35 -16.315 2.370 -3.617 1.00 0.00 C ATOM 532 NZ LYS A 35 -15.714 2.738 -2.305 1.00 0.00 N ATOM 0 H LYS A 35 -15.825 5.852 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.718 7.983 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.312 6.146 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.887 5.881 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.055 4.315 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.349 4.648 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.776 3.928 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.838 3.098 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.932 1.480 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.522 2.116 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.174 1.931 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.079 3.552 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.469 2.988 -1.635 1.00 0.00 H new ATOM 546 N ALA A 36 -13.836 6.746 -4.507 1.00 0.00 N ATOM 547 CA ALA A 36 -12.689 6.926 -3.624 1.00 0.00 C ATOM 548 C ALA A 36 -12.345 8.403 -3.466 1.00 0.00 C ATOM 549 O ALA A 36 -12.071 8.872 -2.361 1.00 0.00 O ATOM 550 CB ALA A 36 -11.489 6.155 -4.155 1.00 0.00 C ATOM 0 H ALA A 36 -13.666 6.125 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.952 6.535 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.640 6.298 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.733 5.094 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.233 6.520 -5.150 1.00 0.00 H new ATOM 556 N LYS A 37 -12.358 9.131 -4.577 1.00 0.00 N ATOM 557 CA LYS A 37 -12.047 10.556 -4.562 1.00 0.00 C ATOM 558 C LYS A 37 -13.219 11.362 -4.011 1.00 0.00 C ATOM 559 O LYS A 37 -13.028 12.422 -3.414 1.00 0.00 O ATOM 560 CB LYS A 37 -11.701 11.038 -5.972 1.00 0.00 C ATOM 561 CG LYS A 37 -10.209 11.077 -6.252 1.00 0.00 C ATOM 562 CD LYS A 37 -9.613 9.680 -6.303 1.00 0.00 C ATOM 563 CE LYS A 37 -9.737 9.071 -7.691 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.468 9.184 -8.462 1.00 0.00 N ATOM 0 H LYS A 37 -12.581 8.758 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.186 10.708 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.182 10.383 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.116 12.035 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.029 11.585 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.708 11.659 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.563 9.721 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.118 9.041 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.016 8.021 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.539 9.570 -8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.632 9.748 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.745 9.648 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.139 8.235 -8.730 1.00 0.00 H new ATOM 578 N ILE A 38 -14.429 10.853 -4.214 1.00 0.00 N ATOM 579 CA ILE A 38 -15.630 11.526 -3.734 1.00 0.00 C ATOM 580 C ILE A 38 -15.599 11.692 -2.219 1.00 0.00 C ATOM 581 O ILE A 38 -16.152 12.651 -1.679 1.00 0.00 O ATOM 582 CB ILE A 38 -16.903 10.754 -4.129 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.004 10.637 -5.651 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.136 11.441 -3.562 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.184 11.967 -6.349 1.00 0.00 C ATOM 0 H ILE A 38 -14.604 9.977 -4.707 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.650 12.509 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.846 9.749 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.103 10.156 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.842 9.988 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.028 10.884 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.065 11.476 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.200 12.456 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.248 11.807 -7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.100 12.441 -5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.334 12.612 -6.128 1.00 0.00 H new ATOM 597 N GLN A 39 -14.949 10.754 -1.539 1.00 0.00 N ATOM 598 CA GLN A 39 -14.845 10.798 -0.085 1.00 0.00 C ATOM 599 C GLN A 39 -14.278 12.135 0.380 1.00 0.00 C ATOM 600 O GLN A 39 -14.673 12.660 1.421 1.00 0.00 O ATOM 601 CB GLN A 39 -13.964 9.653 0.419 1.00 0.00 C ATOM 602 CG GLN A 39 -14.502 8.274 0.075 1.00 0.00 C ATOM 603 CD GLN A 39 -14.106 7.222 1.092 1.00 0.00 C ATOM 604 OE1 GLN A 39 -14.861 6.921 2.017 1.00 0.00 O ATOM 605 NE2 GLN A 39 -12.916 6.657 0.926 1.00 0.00 N ATOM 0 H GLN A 39 -14.486 9.954 -1.971 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.847 10.686 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.966 9.760 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.861 9.734 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.589 8.319 0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.135 7.980 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.323 6.937 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.595 5.943 1.580 1.00 0.00 H new ATOM 614 N ASP A 40 -13.349 12.680 -0.398 1.00 0.00 N ATOM 615 CA ASP A 40 -12.727 13.957 -0.066 1.00 0.00 C ATOM 616 C ASP A 40 -13.659 15.118 -0.399 1.00 0.00 C ATOM 617 O ASP A 40 -13.541 16.205 0.166 1.00 0.00 O ATOM 618 CB ASP A 40 -11.405 14.116 -0.819 1.00 0.00 C ATOM 619 CG ASP A 40 -10.549 15.233 -0.256 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.797 16.405 -0.608 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.630 14.935 0.536 1.00 0.00 O ATOM 0 H ASP A 40 -13.010 12.258 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.529 13.969 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.850 13.179 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.611 14.315 -1.871 1.00 0.00 H new ATOM 626 N LYS A 41 -14.586 14.881 -1.321 1.00 0.00 N ATOM 627 CA LYS A 41 -15.539 15.905 -1.731 1.00 0.00 C ATOM 628 C LYS A 41 -16.677 16.024 -0.722 1.00 0.00 C ATOM 629 O LYS A 41 -16.988 17.116 -0.249 1.00 0.00 O ATOM 630 CB LYS A 41 -16.103 15.582 -3.116 1.00 0.00 C ATOM 631 CG LYS A 41 -15.047 15.142 -4.115 1.00 0.00 C ATOM 632 CD LYS A 41 -14.080 16.269 -4.438 1.00 0.00 C ATOM 633 CE LYS A 41 -12.864 16.240 -3.525 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.722 17.005 -4.097 1.00 0.00 N ATOM 0 H LYS A 41 -14.697 13.987 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.013 16.859 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.851 14.795 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.615 16.462 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.495 14.293 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.531 14.803 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.759 16.187 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.590 17.227 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.130 16.656 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.561 15.207 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.913 16.961 -3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.452 16.592 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.003 17.997 -4.234 1.00 0.00 H new ATOM 648 N GLU A 42 -17.294 14.892 -0.397 1.00 0.00 N ATOM 649 CA GLU A 42 -18.397 14.870 0.557 1.00 0.00 C ATOM 650 C GLU A 42 -18.094 13.927 1.718 1.00 0.00 C ATOM 651 O GLU A 42 -18.477 14.186 2.858 1.00 0.00 O ATOM 652 CB GLU A 42 -19.692 14.443 -0.138 1.00 0.00 C ATOM 653 CG GLU A 42 -20.239 15.485 -1.099 1.00 0.00 C ATOM 654 CD GLU A 42 -20.910 16.642 -0.386 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.790 16.385 0.462 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.556 17.804 -0.675 1.00 0.00 O ATOM 0 H GLU A 42 -17.049 13.979 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.521 15.878 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.513 13.516 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.446 14.227 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.426 15.866 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.955 15.013 -1.771 1.00 0.00 H new ATOM 663 N GLY A 43 -17.405 12.831 1.418 1.00 0.00 N ATOM 664 CA GLY A 43 -17.063 11.865 2.446 1.00 0.00 C ATOM 665 C GLY A 43 -18.237 10.986 2.829 1.00 0.00 C ATOM 666 O GLY A 43 -18.785 11.114 3.924 1.00 0.00 O ATOM 0 H GLY A 43 -17.077 12.594 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.244 11.238 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.704 12.392 3.330 1.00 0.00 H new ATOM 670 N ILE A 44 -18.625 10.093 1.925 1.00 0.00 N ATOM 671 CA ILE A 44 -19.742 9.190 2.175 1.00 0.00 C ATOM 672 C ILE A 44 -19.325 7.735 1.992 1.00 0.00 C ATOM 673 O ILE A 44 -18.410 7.417 1.231 1.00 0.00 O ATOM 674 CB ILE A 44 -20.930 9.493 1.243 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.467 9.525 -0.215 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.582 10.813 1.626 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.603 9.635 -1.208 1.00 0.00 C ATOM 0 H ILE A 44 -18.183 9.975 1.013 1.00 0.00 H new ATOM 0 HA ILE A 44 -20.051 9.349 3.208 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.670 8.700 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.791 10.368 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.897 8.620 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.420 11.012 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.943 10.756 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.851 11.618 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.201 9.652 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.268 8.779 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.160 10.553 -1.023 1.00 0.00 H new ATOM 689 N PRO A 45 -20.011 6.828 2.703 1.00 0.00 N ATOM 690 CA PRO A 45 -19.731 5.391 2.635 1.00 0.00 C ATOM 691 C PRO A 45 -20.131 4.786 1.294 1.00 0.00 C ATOM 692 O PRO A 45 -20.829 5.405 0.489 1.00 0.00 O ATOM 693 CB PRO A 45 -20.587 4.808 3.761 1.00 0.00 C ATOM 694 CG PRO A 45 -21.698 5.786 3.937 1.00 0.00 C ATOM 695 CD PRO A 45 -21.113 7.137 3.630 1.00 0.00 C ATOM 0 HA PRO A 45 -18.667 5.178 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.967 3.820 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -20.010 4.695 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.528 5.559 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.090 5.752 4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.849 7.799 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.753 7.633 4.531 1.00 0.00 H new ATOM 703 N PRO A 46 -19.682 3.547 1.044 1.00 0.00 N ATOM 704 CA PRO A 46 -19.983 2.831 -0.199 1.00 0.00 C ATOM 705 C PRO A 46 -21.449 2.423 -0.293 1.00 0.00 C ATOM 706 O PRO A 46 -22.052 2.484 -1.364 1.00 0.00 O ATOM 707 CB PRO A 46 -19.087 1.592 -0.120 1.00 0.00 C ATOM 708 CG PRO A 46 -18.861 1.380 1.337 1.00 0.00 C ATOM 709 CD PRO A 46 -18.846 2.750 1.958 1.00 0.00 C ATOM 0 HA PRO A 46 -19.803 3.449 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.567 0.726 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.146 1.749 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.650 0.765 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.919 0.861 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.254 2.738 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.834 3.149 2.028 1.00 0.00 H new ATOM 717 N ASP A 47 -22.016 2.009 0.835 1.00 0.00 N ATOM 718 CA ASP A 47 -23.413 1.593 0.880 1.00 0.00 C ATOM 719 C ASP A 47 -24.333 2.731 0.448 1.00 0.00 C ATOM 720 O ASP A 47 -25.345 2.505 -0.215 1.00 0.00 O ATOM 721 CB ASP A 47 -23.784 1.128 2.289 1.00 0.00 C ATOM 722 CG ASP A 47 -25.016 0.244 2.301 1.00 0.00 C ATOM 723 OD1 ASP A 47 -25.136 -0.620 1.407 1.00 0.00 O ATOM 724 OD2 ASP A 47 -25.859 0.415 3.206 1.00 0.00 O ATOM 0 H ASP A 47 -21.530 1.953 1.730 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.541 0.762 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.945 0.583 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.959 1.998 2.922 1.00 0.00 H new ATOM 729 N GLN A 48 -23.975 3.952 0.829 1.00 0.00 N ATOM 730 CA GLN A 48 -24.770 5.124 0.482 1.00 0.00 C ATOM 731 C GLN A 48 -24.315 5.716 -0.848 1.00 0.00 C ATOM 732 O GLN A 48 -25.087 6.383 -1.537 1.00 0.00 O ATOM 733 CB GLN A 48 -24.668 6.180 1.585 1.00 0.00 C ATOM 734 CG GLN A 48 -25.318 5.758 2.892 1.00 0.00 C ATOM 735 CD GLN A 48 -24.985 6.693 4.038 1.00 0.00 C ATOM 736 OE1 GLN A 48 -25.027 7.915 3.889 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.653 6.124 5.190 1.00 0.00 N ATOM 0 H GLN A 48 -23.140 4.156 1.378 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.809 4.811 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.617 6.403 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.134 7.102 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.399 5.722 2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.994 4.749 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.631 5.107 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.420 6.703 5.996 1.00 0.00 H new ATOM 746 N GLN A 49 -23.059 5.468 -1.202 1.00 0.00 N ATOM 747 CA GLN A 49 -22.502 5.977 -2.450 1.00 0.00 C ATOM 748 C GLN A 49 -23.151 5.300 -3.652 1.00 0.00 C ATOM 749 O GLN A 49 -23.249 4.074 -3.708 1.00 0.00 O ATOM 750 CB GLN A 49 -20.988 5.762 -2.483 1.00 0.00 C ATOM 751 CG GLN A 49 -20.336 6.223 -3.777 1.00 0.00 C ATOM 752 CD GLN A 49 -19.431 7.423 -3.579 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.370 8.290 -4.582 1.00 0.00 O flip ATOM 754 NE2 GLN A 49 -18.793 7.568 -2.536 1.00 0.00 N flip ATOM 0 H GLN A 49 -22.407 4.918 -0.643 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.711 7.046 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.535 6.296 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.777 4.703 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.757 5.402 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.111 6.473 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.870 6.876 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.187 8.380 -2.417 1.00 0.00 H new ATOM 763 N ARG A 50 -23.592 6.105 -4.613 1.00 0.00 N ATOM 764 CA ARG A 50 -24.233 5.583 -5.814 1.00 0.00 C ATOM 765 C ARG A 50 -24.083 6.558 -6.978 1.00 0.00 C ATOM 766 O ARG A 50 -24.580 7.684 -6.927 1.00 0.00 O ATOM 767 CB ARG A 50 -25.715 5.312 -5.549 1.00 0.00 C ATOM 768 CG ARG A 50 -26.011 3.874 -5.158 1.00 0.00 C ATOM 769 CD ARG A 50 -25.660 2.908 -6.279 1.00 0.00 C ATOM 770 NE ARG A 50 -26.210 1.575 -6.047 1.00 0.00 N ATOM 771 CZ ARG A 50 -25.754 0.744 -5.116 1.00 0.00 C ATOM 772 NH1 ARG A 50 -24.745 1.107 -4.335 1.00 0.00 N ATOM 773 NH2 ARG A 50 -26.307 -0.452 -4.965 1.00 0.00 N ATOM 0 H ARG A 50 -23.517 7.122 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.741 4.648 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.060 5.974 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.287 5.562 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.445 3.615 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -27.067 3.774 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.039 3.297 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.576 2.841 -6.374 1.00 0.00 H new ATOM 0 HE ARG A 50 -26.986 1.265 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.317 2.026 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.397 0.467 -3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -27.083 -0.734 -5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.956 -1.089 -4.250 1.00 0.00 H new ATOM 787 N LEU A 51 -23.393 6.119 -8.025 1.00 0.00 N ATOM 788 CA LEU A 51 -23.177 6.953 -9.203 1.00 0.00 C ATOM 789 C LEU A 51 -24.232 6.674 -10.269 1.00 0.00 C ATOM 790 O LEU A 51 -24.622 5.526 -10.484 1.00 0.00 O ATOM 791 CB LEU A 51 -21.780 6.708 -9.775 1.00 0.00 C ATOM 792 CG LEU A 51 -20.630 7.427 -9.069 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.848 8.932 -9.090 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.486 6.927 -7.639 1.00 0.00 C ATOM 0 H LEU A 51 -22.974 5.191 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.261 7.997 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.582 5.636 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.781 7.008 -10.823 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.706 7.207 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.020 9.427 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.900 9.278 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.781 9.172 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.663 7.450 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.410 7.116 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.282 5.856 -7.647 1.00 0.00 H new ATOM 806 N ILE A 52 -24.687 7.730 -10.934 1.00 0.00 N ATOM 807 CA ILE A 52 -25.694 7.598 -11.979 1.00 0.00 C ATOM 808 C ILE A 52 -25.146 8.047 -13.330 1.00 0.00 C ATOM 809 O ILE A 52 -24.417 9.035 -13.418 1.00 0.00 O ATOM 810 CB ILE A 52 -26.956 8.417 -11.652 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.355 8.216 -10.189 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.098 8.022 -12.577 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.611 6.771 -9.825 1.00 0.00 C ATOM 0 H ILE A 52 -24.374 8.687 -10.768 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.960 6.542 -12.030 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.737 9.473 -11.808 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.566 8.609 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.253 8.799 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.983 8.610 -12.334 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.810 8.211 -13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.320 6.962 -12.450 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.889 6.705 -8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.421 6.379 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.708 6.186 -9.999 1.00 0.00 H new ATOM 825 N PHE A 53 -25.503 7.316 -14.380 1.00 0.00 N ATOM 826 CA PHE A 53 -25.048 7.640 -15.727 1.00 0.00 C ATOM 827 C PHE A 53 -26.173 7.450 -16.741 1.00 0.00 C ATOM 828 O PHE A 53 -26.666 6.340 -16.938 1.00 0.00 O ATOM 829 CB PHE A 53 -23.851 6.766 -16.108 1.00 0.00 C ATOM 830 CG PHE A 53 -23.342 7.019 -17.498 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.656 8.185 -17.797 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.549 6.091 -18.506 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.187 8.421 -19.075 1.00 0.00 C ATOM 834 CE2 PHE A 53 -23.082 6.321 -19.786 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.399 7.488 -20.071 1.00 0.00 C ATOM 0 H PHE A 53 -26.106 6.495 -14.324 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.744 8.687 -15.739 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.043 6.940 -15.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.134 5.717 -16.019 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.486 8.918 -17.022 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.082 5.177 -18.289 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.655 9.335 -19.295 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.251 5.590 -20.563 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.032 7.670 -21.070 1.00 0.00 H new ATOM 845 N ALA A 54 -26.574 8.544 -17.382 1.00 0.00 N ATOM 846 CA ALA A 54 -27.639 8.499 -18.377 1.00 0.00 C ATOM 847 C ALA A 54 -28.916 7.910 -17.787 1.00 0.00 C ATOM 848 O ALA A 54 -29.693 7.263 -18.488 1.00 0.00 O ATOM 849 CB ALA A 54 -27.194 7.695 -19.589 1.00 0.00 C ATOM 0 H ALA A 54 -26.178 9.471 -17.230 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.853 9.520 -18.692 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.999 7.669 -20.324 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.313 8.161 -20.031 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.951 6.678 -19.282 1.00 0.00 H new ATOM 855 N GLY A 55 -29.125 8.137 -16.494 1.00 0.00 N ATOM 856 CA GLY A 55 -30.309 7.621 -15.833 1.00 0.00 C ATOM 857 C GLY A 55 -30.117 6.207 -15.320 1.00 0.00 C ATOM 858 O GLY A 55 -30.959 5.684 -14.590 1.00 0.00 O ATOM 0 H GLY A 55 -28.496 8.669 -15.893 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.570 8.274 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.148 7.641 -16.529 1.00 0.00 H new ATOM 862 N LYS A 56 -29.008 5.586 -15.705 1.00 0.00 N ATOM 863 CA LYS A 56 -28.707 4.224 -15.280 1.00 0.00 C ATOM 864 C LYS A 56 -27.603 4.213 -14.228 1.00 0.00 C ATOM 865 O LYS A 56 -26.520 4.755 -14.446 1.00 0.00 O ATOM 866 CB LYS A 56 -28.288 3.374 -16.482 1.00 0.00 C ATOM 867 CG LYS A 56 -28.711 1.919 -16.376 1.00 0.00 C ATOM 868 CD LYS A 56 -27.907 1.034 -17.314 1.00 0.00 C ATOM 869 CE LYS A 56 -28.220 1.337 -18.771 1.00 0.00 C ATOM 870 NZ LYS A 56 -27.506 0.413 -19.695 1.00 0.00 N ATOM 0 H LYS A 56 -28.302 6.004 -16.311 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.609 3.800 -14.839 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.717 3.803 -17.387 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.204 3.422 -16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.581 1.575 -15.350 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.772 1.830 -16.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -26.843 1.181 -17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -28.125 -0.013 -17.104 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.294 1.257 -18.936 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.939 2.366 -18.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -27.745 0.652 -20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -26.480 0.507 -19.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -27.794 -0.567 -19.497 1.00 0.00 H new ATOM 884 N GLN A 57 -27.886 3.591 -13.087 1.00 0.00 N ATOM 885 CA GLN A 57 -26.916 3.510 -12.001 1.00 0.00 C ATOM 886 C GLN A 57 -25.642 2.809 -12.461 1.00 0.00 C ATOM 887 O GLN A 57 -25.666 1.999 -13.389 1.00 0.00 O ATOM 888 CB GLN A 57 -27.517 2.769 -10.806 1.00 0.00 C ATOM 889 CG GLN A 57 -28.187 1.456 -11.178 1.00 0.00 C ATOM 890 CD GLN A 57 -29.696 1.571 -11.252 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.247 2.673 -11.263 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.375 0.431 -11.303 1.00 0.00 N ATOM 0 H GLN A 57 -28.778 3.137 -12.891 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.661 4.526 -11.698 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.730 2.572 -10.078 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.248 3.415 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -27.805 1.118 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.920 0.696 -10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.878 -0.460 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.394 0.446 -11.354 1.00 0.00 H new ATOM 901 N LEU A 58 -24.530 3.124 -11.806 1.00 0.00 N ATOM 902 CA LEU A 58 -23.245 2.524 -12.147 1.00 0.00 C ATOM 903 C LEU A 58 -22.861 1.447 -11.138 1.00 0.00 C ATOM 904 O LEU A 58 -23.447 1.358 -10.059 1.00 0.00 O ATOM 905 CB LEU A 58 -22.157 3.598 -12.202 1.00 0.00 C ATOM 906 CG LEU A 58 -22.416 4.769 -13.151 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.302 5.799 -13.045 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.554 4.275 -14.583 1.00 0.00 C ATOM 0 H LEU A 58 -24.492 3.792 -11.036 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.339 2.059 -13.128 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.016 3.995 -11.197 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.220 3.123 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.352 5.246 -12.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.504 6.625 -13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.251 6.177 -12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.351 5.335 -13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.738 5.122 -15.244 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.635 3.772 -14.885 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.388 3.576 -14.648 1.00 0.00 H new ATOM 920 N GLU A 59 -21.873 0.633 -11.495 1.00 0.00 N ATOM 921 CA GLU A 59 -21.411 -0.437 -10.619 1.00 0.00 C ATOM 922 C GLU A 59 -19.939 -0.751 -10.872 1.00 0.00 C ATOM 923 O GLU A 59 -19.319 -0.185 -11.772 1.00 0.00 O ATOM 924 CB GLU A 59 -22.255 -1.697 -10.826 1.00 0.00 C ATOM 925 CG GLU A 59 -22.487 -2.039 -12.288 1.00 0.00 C ATOM 926 CD GLU A 59 -23.397 -3.239 -12.469 1.00 0.00 C ATOM 927 OE1 GLU A 59 -24.356 -3.381 -11.683 1.00 0.00 O ATOM 928 OE2 GLU A 59 -23.148 -4.036 -13.398 1.00 0.00 O ATOM 0 H GLU A 59 -21.377 0.694 -12.384 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.521 -0.100 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.763 -2.538 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.219 -1.563 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.923 -1.178 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.529 -2.239 -12.767 1.00 0.00 H new ATOM 935 N ASP A 60 -19.387 -1.654 -10.070 1.00 0.00 N ATOM 936 CA ASP A 60 -17.988 -2.044 -10.206 1.00 0.00 C ATOM 937 C ASP A 60 -17.807 -3.022 -11.363 1.00 0.00 C ATOM 938 O ASP A 60 -18.727 -3.251 -12.146 1.00 0.00 O ATOM 939 CB ASP A 60 -17.483 -2.673 -8.907 1.00 0.00 C ATOM 940 CG ASP A 60 -17.953 -4.104 -8.735 1.00 0.00 C ATOM 941 OD1 ASP A 60 -19.150 -4.368 -8.973 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.123 -4.960 -8.363 1.00 0.00 O ATOM 0 H ASP A 60 -19.886 -2.130 -9.319 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.405 -1.147 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.393 -2.648 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.826 -2.077 -8.061 1.00 0.00 H new ATOM 947 N GLY A 61 -16.611 -3.596 -11.465 1.00 0.00 N ATOM 948 CA GLY A 61 -16.330 -4.541 -12.529 1.00 0.00 C ATOM 949 C GLY A 61 -15.898 -3.858 -13.812 1.00 0.00 C ATOM 950 O GLY A 61 -14.857 -4.190 -14.379 1.00 0.00 O ATOM 0 H GLY A 61 -15.832 -3.423 -10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.547 -5.227 -12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.219 -5.141 -12.722 1.00 0.00 H new ATOM 954 N ARG A 62 -16.699 -2.902 -14.270 1.00 0.00 N ATOM 955 CA ARG A 62 -16.395 -2.173 -15.496 1.00 0.00 C ATOM 956 C ARG A 62 -15.555 -0.934 -15.197 1.00 0.00 C ATOM 957 O ARG A 62 -15.398 -0.541 -14.041 1.00 0.00 O ATOM 958 CB ARG A 62 -17.687 -1.767 -16.207 1.00 0.00 C ATOM 959 CG ARG A 62 -18.599 -2.939 -16.528 1.00 0.00 C ATOM 960 CD ARG A 62 -19.781 -2.508 -17.383 1.00 0.00 C ATOM 961 NE ARG A 62 -20.481 -3.650 -17.965 1.00 0.00 N ATOM 962 CZ ARG A 62 -21.722 -3.590 -18.434 1.00 0.00 C ATOM 963 NH1 ARG A 62 -22.396 -2.449 -18.391 1.00 0.00 N ATOM 964 NH2 ARG A 62 -22.292 -4.672 -18.948 1.00 0.00 N ATOM 0 H ARG A 62 -17.563 -2.614 -13.811 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.821 -2.832 -16.148 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.228 -1.057 -15.582 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.435 -1.249 -17.133 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.032 -3.710 -17.051 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.962 -3.383 -15.601 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.476 -1.928 -16.775 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.432 -1.852 -18.180 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.990 -4.543 -18.014 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.961 -1.615 -17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.349 -2.406 -18.752 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.777 -5.552 -18.983 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -23.245 -4.624 -19.308 1.00 0.00 H new ATOM 978 N THR A 63 -15.016 -0.323 -16.248 1.00 0.00 N ATOM 979 CA THR A 63 -14.192 0.869 -16.098 1.00 0.00 C ATOM 980 C THR A 63 -14.906 2.103 -16.638 1.00 0.00 C ATOM 981 O THR A 63 -15.850 1.993 -17.423 1.00 0.00 O ATOM 982 CB THR A 63 -12.842 0.713 -16.824 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.230 1.996 -17.002 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.029 0.043 -18.177 1.00 0.00 C ATOM 0 H THR A 63 -15.136 -0.635 -17.212 1.00 0.00 H new ATOM 0 HA THR A 63 -14.011 0.995 -15.031 1.00 0.00 H new ATOM 0 HB THR A 63 -12.196 0.084 -16.211 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.104 2.422 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.062 -0.056 -18.671 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.468 -0.945 -18.036 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.691 0.649 -18.795 1.00 0.00 H new ATOM 992 N LEU A 64 -14.452 3.277 -16.214 1.00 0.00 N ATOM 993 CA LEU A 64 -15.048 4.533 -16.655 1.00 0.00 C ATOM 994 C LEU A 64 -15.126 4.593 -18.177 1.00 0.00 C ATOM 995 O LEU A 64 -16.112 5.068 -18.740 1.00 0.00 O ATOM 996 CB LEU A 64 -14.237 5.718 -16.128 1.00 0.00 C ATOM 997 CG LEU A 64 -14.424 6.053 -14.648 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.900 6.216 -14.320 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.797 4.977 -13.773 1.00 0.00 C ATOM 0 H LEU A 64 -13.673 3.385 -15.565 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.060 4.587 -16.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.180 5.516 -16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.495 6.599 -16.715 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.921 6.998 -14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.014 6.454 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.319 7.023 -14.921 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.427 5.288 -14.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.940 5.233 -12.723 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.271 4.018 -13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.731 4.909 -13.988 1.00 0.00 H new ATOM 1011 N SER A 65 -14.080 4.106 -18.838 1.00 0.00 N ATOM 1012 CA SER A 65 -14.030 4.106 -20.296 1.00 0.00 C ATOM 1013 C SER A 65 -15.089 3.174 -20.876 1.00 0.00 C ATOM 1014 O SER A 65 -15.597 3.401 -21.973 1.00 0.00 O ATOM 1015 CB SER A 65 -12.642 3.682 -20.779 1.00 0.00 C ATOM 1016 OG SER A 65 -12.627 3.489 -22.183 1.00 0.00 O ATOM 0 H SER A 65 -13.257 3.707 -18.388 1.00 0.00 H new ATOM 0 HA SER A 65 -14.234 5.119 -20.642 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.910 4.442 -20.506 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.346 2.760 -20.279 1.00 0.00 H new ATOM 0 HG SER A 65 -11.728 3.220 -22.467 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.417 2.123 -20.130 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.415 1.156 -20.570 1.00 0.00 C ATOM 1024 C GLU A 66 -17.823 1.729 -20.439 1.00 0.00 C ATOM 1025 O GLU A 66 -18.739 1.324 -21.155 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.300 -0.135 -19.757 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.209 -1.070 -20.250 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.669 -1.950 -21.397 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.895 -2.042 -21.617 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.805 -2.546 -22.073 1.00 0.00 O ATOM 0 H GLU A 66 -15.006 1.920 -19.219 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.229 0.933 -21.621 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.106 0.118 -18.715 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.256 -0.659 -19.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.349 -0.482 -20.570 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.875 -1.700 -19.425 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.988 2.673 -19.519 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.284 3.300 -19.291 1.00 0.00 C ATOM 1039 C TYR A 67 -19.443 4.550 -20.151 1.00 0.00 C ATOM 1040 O TYR A 67 -20.354 5.350 -19.940 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.447 3.660 -17.813 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.997 2.530 -16.972 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.219 1.943 -17.276 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.296 2.051 -15.873 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.727 0.911 -16.510 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.794 1.018 -15.102 1.00 0.00 C ATOM 1047 CZ TYR A 67 -21.010 0.452 -15.424 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.511 -0.576 -14.658 1.00 0.00 O ATOM 0 H TYR A 67 -17.240 3.021 -18.919 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.059 2.587 -19.572 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.479 3.962 -17.412 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.110 4.521 -17.728 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.782 2.300 -18.126 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.345 2.494 -15.616 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.679 0.467 -16.760 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.234 0.656 -14.252 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.886 -1.331 -14.675 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.550 4.710 -21.121 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.590 5.862 -22.015 1.00 0.00 C ATOM 1060 C ASN A 68 -18.405 7.161 -21.236 1.00 0.00 C ATOM 1061 O ASN A 68 -18.799 8.233 -21.695 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.916 5.897 -22.778 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.331 4.526 -23.277 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -19.554 3.830 -23.931 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -21.561 4.133 -22.970 1.00 0.00 N ATOM 0 H ASN A 68 -17.789 4.057 -21.309 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.771 5.766 -22.728 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.695 6.296 -22.129 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -19.827 6.578 -23.625 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -21.897 3.221 -23.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -22.170 4.743 -22.426 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.803 7.056 -20.056 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.564 8.222 -19.214 1.00 0.00 C ATOM 1074 C ILE A 69 -16.248 8.901 -19.576 1.00 0.00 C ATOM 1075 O ILE A 69 -15.178 8.469 -19.150 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.540 7.843 -17.722 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.879 7.231 -17.306 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.222 9.064 -16.871 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.773 6.290 -16.127 1.00 0.00 C ATOM 0 H ILE A 69 -17.472 6.176 -19.661 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.387 8.914 -19.392 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.758 7.100 -17.564 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.575 8.033 -17.059 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.302 6.692 -18.154 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.209 8.781 -15.819 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.246 9.460 -17.153 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.983 9.828 -17.031 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.760 5.894 -15.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.103 5.468 -16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.380 6.829 -15.265 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.336 9.968 -20.364 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.152 10.708 -20.783 1.00 0.00 C ATOM 1093 C GLN A 70 -14.810 11.803 -19.777 1.00 0.00 C ATOM 1094 O GLN A 70 -15.363 11.845 -18.677 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.370 11.322 -22.167 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.904 10.335 -23.192 1.00 0.00 C ATOM 1097 CD GLN A 70 -16.008 10.935 -24.581 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -15.032 10.966 -25.331 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -17.195 11.415 -24.931 1.00 0.00 N ATOM 0 H GLN A 70 -17.215 10.339 -20.725 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.317 10.009 -20.831 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.067 12.156 -22.080 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.426 11.732 -22.527 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.251 9.463 -23.225 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.887 9.986 -22.877 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.977 11.369 -24.278 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.325 11.830 -25.853 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.895 12.686 -20.160 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.479 13.782 -19.292 1.00 0.00 C ATOM 1110 C LYS A 71 -14.477 14.934 -19.355 1.00 0.00 C ATOM 1111 O LYS A 71 -14.302 15.954 -18.689 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.087 14.277 -19.693 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.043 14.923 -21.067 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.309 14.049 -22.070 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.652 14.883 -23.160 1.00 0.00 C ATOM 1116 NZ LYS A 71 -10.251 14.052 -24.329 1.00 0.00 N ATOM 0 H LYS A 71 -13.427 12.665 -21.066 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.445 13.409 -18.268 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.739 14.996 -18.951 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.392 13.437 -19.673 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.059 15.106 -21.417 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.550 15.893 -20.999 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.551 13.460 -21.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.008 13.345 -22.521 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.342 15.661 -23.487 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.774 15.385 -22.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.807 14.657 -25.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.573 13.325 -24.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.092 13.593 -24.733 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.522 14.763 -20.158 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.547 15.789 -20.305 1.00 0.00 C ATOM 1132 C GLU A 72 -17.942 15.195 -20.126 1.00 0.00 C ATOM 1133 O GLU A 72 -18.926 15.730 -20.635 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.438 16.457 -21.678 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.228 15.475 -22.818 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.180 16.154 -24.172 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.261 16.969 -24.395 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -17.062 15.870 -25.009 1.00 0.00 O ATOM 0 H GLU A 72 -15.681 13.924 -20.716 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.388 16.539 -19.530 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.345 17.031 -21.867 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.610 17.166 -21.663 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.298 14.930 -22.656 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.033 14.740 -22.813 1.00 0.00 H new ATOM 1145 N SER A 73 -18.016 14.085 -19.398 1.00 0.00 N ATOM 1146 CA SER A 73 -19.288 13.415 -19.155 1.00 0.00 C ATOM 1147 C SER A 73 -19.945 13.943 -17.883 1.00 0.00 C ATOM 1148 O SER A 73 -19.266 14.380 -16.953 1.00 0.00 O ATOM 1149 CB SER A 73 -19.080 11.904 -19.045 1.00 0.00 C ATOM 1150 OG SER A 73 -18.802 11.523 -17.709 1.00 0.00 O ATOM 0 H SER A 73 -17.211 13.631 -18.967 1.00 0.00 H new ATOM 0 HA SER A 73 -19.947 13.623 -19.998 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.972 11.385 -19.396 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.258 11.599 -19.692 1.00 0.00 H new ATOM 0 HG SER A 73 -19.617 11.172 -17.293 1.00 0.00 H new ATOM 1156 N THR A 74 -21.274 13.900 -17.849 1.00 0.00 N ATOM 1157 CA THR A 74 -22.025 14.374 -16.693 1.00 0.00 C ATOM 1158 C THR A 74 -22.529 13.209 -15.849 1.00 0.00 C ATOM 1159 O THR A 74 -23.332 12.396 -16.311 1.00 0.00 O ATOM 1160 CB THR A 74 -23.224 15.241 -17.119 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.946 15.881 -18.370 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.534 16.292 -16.064 1.00 0.00 C ATOM 0 H THR A 74 -21.852 13.542 -18.609 1.00 0.00 H new ATOM 0 HA THR A 74 -21.341 14.980 -16.099 1.00 0.00 H new ATOM 0 HB THR A 74 -24.093 14.592 -17.228 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.714 16.429 -18.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.385 16.892 -16.387 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.774 15.801 -15.121 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.666 16.937 -15.927 1.00 0.00 H new ATOM 1170 N LEU A 75 -22.055 13.132 -14.611 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.459 12.065 -13.701 1.00 0.00 C ATOM 1172 C LEU A 75 -23.296 12.618 -12.552 1.00 0.00 C ATOM 1173 O LEU A 75 -23.184 13.791 -12.196 1.00 0.00 O ATOM 1174 CB LEU A 75 -21.227 11.345 -13.150 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.566 10.333 -14.087 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -19.441 9.600 -13.372 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -21.595 9.346 -14.618 1.00 0.00 C ATOM 0 H LEU A 75 -21.390 13.796 -14.213 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.068 11.354 -14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.485 12.095 -12.876 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.512 10.829 -12.233 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.141 10.873 -14.933 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.982 8.884 -14.054 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.691 10.318 -13.042 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.843 9.072 -12.507 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.107 8.634 -15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -22.050 8.811 -13.784 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.367 9.885 -15.168 1.00 0.00 H new ATOM 1189 N HIS A 76 -24.134 11.763 -11.974 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.988 12.165 -10.862 1.00 0.00 C ATOM 1191 C HIS A 76 -24.670 11.352 -9.610 1.00 0.00 C ATOM 1192 O HIS A 76 -24.357 10.164 -9.692 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.461 11.993 -11.235 1.00 0.00 C ATOM 1194 CG HIS A 76 -27.191 13.289 -11.409 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.948 13.866 -10.411 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.274 14.122 -12.472 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -28.467 14.997 -10.854 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -28.073 15.176 -12.102 1.00 0.00 N ATOM 0 H HIS A 76 -24.240 10.789 -12.257 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.795 13.216 -10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.528 11.421 -12.160 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.957 11.407 -10.461 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.800 13.984 -13.433 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -29.105 15.662 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -28.322 15.968 -12.695 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.750 12.001 -8.454 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.470 11.338 -7.184 1.00 0.00 C ATOM 1208 C LEU A 77 -25.697 11.357 -6.278 1.00 0.00 C ATOM 1209 O LEU A 77 -26.146 12.418 -5.845 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.292 12.016 -6.482 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.423 13.523 -6.257 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.727 13.820 -4.796 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.154 14.240 -6.695 1.00 0.00 C ATOM 0 H LEU A 77 -25.006 12.985 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.212 10.300 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.146 11.536 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.391 11.833 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.252 13.891 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.817 14.897 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.663 13.338 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.919 13.438 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.265 15.311 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.308 13.868 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.979 14.055 -7.755 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.234 10.175 -5.993 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.406 10.055 -5.135 1.00 0.00 C ATOM 1227 C VAL A 78 -27.119 9.161 -3.933 1.00 0.00 C ATOM 1228 O VAL A 78 -26.505 8.102 -4.066 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.611 9.485 -5.907 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.211 10.545 -6.818 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.200 8.257 -6.705 1.00 0.00 C ATOM 0 H VAL A 78 -25.876 9.287 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.648 11.060 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.372 9.185 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.061 10.124 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.544 11.393 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.459 10.878 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -29.064 7.868 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.421 8.530 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.821 7.493 -6.027 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.567 9.595 -2.760 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.359 8.834 -1.533 1.00 0.00 C ATOM 1243 C LEU A 79 -28.677 8.275 -1.009 1.00 0.00 C ATOM 1244 O LEU A 79 -29.692 8.972 -0.984 1.00 0.00 O ATOM 1245 CB LEU A 79 -26.706 9.717 -0.467 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.199 9.935 -0.608 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.893 10.763 -1.847 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -24.639 10.608 0.637 1.00 0.00 C ATOM 0 H LEU A 79 -28.076 10.469 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.697 7.999 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.197 10.690 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -26.899 9.275 0.511 1.00 0.00 H new ATOM 0 HG LEU A 79 -24.719 8.963 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.816 10.908 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.259 10.243 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.384 11.733 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -23.565 10.755 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.125 11.574 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -24.825 9.978 1.506 1.00 0.00 H new