USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 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 Set 1.1: A 35 LYS NZ :NH3+ 142:sc= -0.349 (180deg=-2.24!) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.377 K(o=-0.73,f=-3.3!) USER MOD Set 2.1: A 30 THR OG1 : rot 22:sc= 0.0722 USER MOD Set 2.2: A 33 ASN : amide:sc= 1.84 K(o=1.9,f=-7.5!) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -110:sc= -0.717 (180deg=-3.52!) USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 18:sc= 0.391 USER MOD Single : A 9 MET CE :methyl 155:sc= -2.64 (180deg=-4.33!) USER MOD Single : A 10 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.65) USER MOD Single : A 15 THR OG1 : rot -80:sc= 0.432 USER MOD Single : A 17 THR OG1 : rot -45:sc= 1.11 USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= -0.245 (180deg=-2.03!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00576 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.49 K(o=-2.5,f=-2) USER MOD Single : A 49 GLN : amide:sc= -3.78 K(o=-3.8,f=-7.8!) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.272) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 47:sc= 0.774 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -142:sc= 0.695 USER MOD Single : A 68 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) 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 29:sc= 0.386 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc=-0.000939 X(o=-0.00094,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.842 9.974 -16.577 1.00 0.00 N ATOM 100 CA SER A 8 -5.946 10.528 -15.804 1.00 0.00 C ATOM 101 C SER A 8 -6.647 11.640 -16.577 1.00 0.00 C ATOM 102 O SER A 8 -6.059 12.262 -17.462 1.00 0.00 O ATOM 103 CB SER A 8 -5.439 11.065 -14.464 1.00 0.00 C ATOM 104 OG SER A 8 -4.423 10.232 -13.932 1.00 0.00 O ATOM 0 HA SER A 8 -6.664 9.729 -15.620 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.053 12.076 -14.596 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.267 11.130 -13.758 1.00 0.00 H new ATOM 0 HG SER A 8 -4.060 9.664 -14.643 1.00 0.00 H new ATOM 110 N MET A 9 -7.909 11.885 -16.237 1.00 0.00 N ATOM 111 CA MET A 9 -8.690 12.923 -16.899 1.00 0.00 C ATOM 112 C MET A 9 -9.648 13.592 -15.917 1.00 0.00 C ATOM 113 O MET A 9 -10.005 13.011 -14.893 1.00 0.00 O ATOM 114 CB MET A 9 -9.475 12.332 -18.071 1.00 0.00 C ATOM 115 CG MET A 9 -10.746 11.612 -17.651 1.00 0.00 C ATOM 116 SD MET A 9 -10.893 9.973 -18.389 1.00 0.00 S ATOM 117 CE MET A 9 -10.971 8.947 -16.923 1.00 0.00 C ATOM 0 H MET A 9 -8.412 11.379 -15.508 1.00 0.00 H new ATOM 0 HA MET A 9 -7.999 13.677 -17.277 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.733 13.132 -18.765 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.835 11.635 -18.612 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.765 11.520 -16.565 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.610 12.213 -17.935 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.489 8.017 -17.157 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.960 8.724 -16.581 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.511 9.475 -16.137 1.00 0.00 H new ATOM 127 N GLN A 10 -10.058 14.815 -16.237 1.00 0.00 N ATOM 128 CA GLN A 10 -10.973 15.561 -15.382 1.00 0.00 C ATOM 129 C GLN A 10 -12.415 15.385 -15.844 1.00 0.00 C ATOM 130 O GLN A 10 -12.711 15.475 -17.036 1.00 0.00 O ATOM 131 CB GLN A 10 -10.603 17.046 -15.377 1.00 0.00 C ATOM 132 CG GLN A 10 -10.920 17.748 -14.067 1.00 0.00 C ATOM 133 CD GLN A 10 -10.153 19.044 -13.898 1.00 0.00 C ATOM 134 OE1 GLN A 10 -10.574 20.096 -14.380 1.00 0.00 O ATOM 135 NE2 GLN A 10 -9.018 18.975 -13.211 1.00 0.00 N ATOM 0 H GLN A 10 -9.771 15.310 -17.082 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.886 15.169 -14.369 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.538 17.147 -15.585 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.135 17.547 -16.186 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.989 17.954 -14.020 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.687 17.082 -13.237 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.707 18.082 -12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.458 19.815 -13.066 1.00 0.00 H new ATOM 144 N ILE A 11 -13.309 15.134 -14.893 1.00 0.00 N ATOM 145 CA ILE A 11 -14.721 14.947 -15.203 1.00 0.00 C ATOM 146 C ILE A 11 -15.593 15.897 -14.390 1.00 0.00 C ATOM 147 O ILE A 11 -15.147 16.469 -13.395 1.00 0.00 O ATOM 148 CB ILE A 11 -15.169 13.498 -14.932 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.156 13.210 -13.430 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.272 12.519 -15.674 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.585 11.802 -13.081 1.00 0.00 C ATOM 0 H ILE A 11 -13.080 15.056 -13.902 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.843 15.165 -16.264 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.188 13.374 -15.297 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.151 13.381 -13.044 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.815 13.917 -12.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.601 11.500 -15.473 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.328 12.714 -16.745 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.243 12.641 -15.337 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.552 11.669 -12.000 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.601 11.633 -13.436 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.911 11.088 -13.555 1.00 0.00 H new ATOM 163 N PHE A 12 -16.840 16.061 -14.820 1.00 0.00 N ATOM 164 CA PHE A 12 -17.777 16.942 -14.132 1.00 0.00 C ATOM 165 C PHE A 12 -18.895 16.139 -13.474 1.00 0.00 C ATOM 166 O PHE A 12 -19.544 15.314 -14.118 1.00 0.00 O ATOM 167 CB PHE A 12 -18.370 17.956 -15.112 1.00 0.00 C ATOM 168 CG PHE A 12 -17.342 18.851 -15.744 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.679 19.806 -14.990 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.039 18.736 -17.091 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.734 20.631 -15.569 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.094 19.558 -17.675 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.440 20.506 -16.913 1.00 0.00 C ATOM 0 H PHE A 12 -17.225 15.595 -15.642 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.231 17.476 -13.354 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.906 17.421 -15.896 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.102 18.570 -14.588 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.903 19.907 -13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.547 17.996 -17.691 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.226 21.373 -14.971 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.867 19.459 -18.726 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.700 21.148 -17.367 1.00 0.00 H new ATOM 183 N VAL A 13 -19.115 16.386 -12.187 1.00 0.00 N ATOM 184 CA VAL A 13 -20.155 15.687 -11.440 1.00 0.00 C ATOM 185 C VAL A 13 -21.095 16.672 -10.755 1.00 0.00 C ATOM 186 O VAL A 13 -20.668 17.720 -10.269 1.00 0.00 O ATOM 187 CB VAL A 13 -19.550 14.749 -10.380 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.639 13.920 -9.717 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.492 13.852 -11.003 1.00 0.00 C ATOM 0 H VAL A 13 -18.587 17.065 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.718 15.093 -12.160 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.071 15.358 -9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.193 13.263 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.357 14.582 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.149 13.320 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.075 13.196 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.944 13.250 -11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.697 14.466 -11.426 1.00 0.00 H new ATOM 199 N LYS A 14 -22.378 16.329 -10.719 1.00 0.00 N ATOM 200 CA LYS A 14 -23.381 17.182 -10.091 1.00 0.00 C ATOM 201 C LYS A 14 -23.848 16.587 -8.767 1.00 0.00 C ATOM 202 O LYS A 14 -24.233 15.419 -8.699 1.00 0.00 O ATOM 203 CB LYS A 14 -24.577 17.371 -11.027 1.00 0.00 C ATOM 204 CG LYS A 14 -24.358 18.439 -12.086 1.00 0.00 C ATOM 205 CD LYS A 14 -23.296 18.020 -13.089 1.00 0.00 C ATOM 206 CE LYS A 14 -23.149 19.043 -14.204 1.00 0.00 C ATOM 207 NZ LYS A 14 -22.959 20.421 -13.672 1.00 0.00 N ATOM 0 H LYS A 14 -22.748 15.466 -11.117 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.925 18.152 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.796 16.423 -11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.454 17.633 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.295 18.634 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.060 19.372 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.341 17.896 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.558 17.051 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.299 18.776 -14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -24.035 19.018 -14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.809 20.988 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.797 20.378 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.138 20.861 -14.134 1.00 0.00 H new ATOM 221 N THR A 15 -23.814 17.399 -7.714 1.00 0.00 N ATOM 222 CA THR A 15 -24.235 16.953 -6.392 1.00 0.00 C ATOM 223 C THR A 15 -25.728 17.176 -6.185 1.00 0.00 C ATOM 224 O THR A 15 -26.420 17.680 -7.072 1.00 0.00 O ATOM 225 CB THR A 15 -23.459 17.685 -5.280 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.724 19.091 -5.341 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.964 17.439 -5.411 1.00 0.00 C ATOM 0 H THR A 15 -23.499 18.368 -7.752 1.00 0.00 H new ATOM 0 HA THR A 15 -24.019 15.886 -6.335 1.00 0.00 H new ATOM 0 HB THR A 15 -23.792 17.295 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.180 19.496 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.437 17.966 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.763 16.370 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.619 17.804 -6.378 1.00 0.00 H new ATOM 235 N LEU A 16 -26.221 16.800 -5.011 1.00 0.00 N ATOM 236 CA LEU A 16 -27.635 16.960 -4.687 1.00 0.00 C ATOM 237 C LEU A 16 -27.963 18.419 -4.389 1.00 0.00 C ATOM 238 O LEU A 16 -29.119 18.837 -4.471 1.00 0.00 O ATOM 239 CB LEU A 16 -28.006 16.086 -3.487 1.00 0.00 C ATOM 240 CG LEU A 16 -27.826 14.579 -3.674 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.508 13.911 -2.345 1.00 0.00 C ATOM 242 CD2 LEU A 16 -29.073 13.966 -4.295 1.00 0.00 C ATOM 0 H LEU A 16 -25.663 16.382 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.219 16.645 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.405 16.401 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -29.048 16.278 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.988 14.414 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.383 12.839 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.587 14.329 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.325 14.085 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.927 12.893 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -29.928 14.142 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -29.258 14.423 -5.267 1.00 0.00 H new ATOM 254 N THR A 17 -26.939 19.193 -4.044 1.00 0.00 N ATOM 255 CA THR A 17 -27.118 20.605 -3.734 1.00 0.00 C ATOM 256 C THR A 17 -26.847 21.474 -4.957 1.00 0.00 C ATOM 257 O THR A 17 -26.426 22.623 -4.833 1.00 0.00 O ATOM 258 CB THR A 17 -26.192 21.051 -2.587 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.460 22.415 -2.243 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.730 20.900 -2.982 1.00 0.00 C ATOM 0 H THR A 17 -25.976 18.865 -3.972 1.00 0.00 H new ATOM 0 HA THR A 17 -28.155 20.731 -3.423 1.00 0.00 H new ATOM 0 HB THR A 17 -26.387 20.414 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.537 22.950 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.095 21.221 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.522 19.856 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.524 21.515 -3.858 1.00 0.00 H new ATOM 268 N GLY A 18 -27.094 20.918 -6.139 1.00 0.00 N ATOM 269 CA GLY A 18 -26.871 21.657 -7.368 1.00 0.00 C ATOM 270 C GLY A 18 -25.479 22.252 -7.443 1.00 0.00 C ATOM 271 O GLY A 18 -25.288 23.336 -7.994 1.00 0.00 O ATOM 0 H GLY A 18 -27.445 19.969 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.026 20.995 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.609 22.456 -7.447 1.00 0.00 H new ATOM 275 N LYS A 19 -24.504 21.543 -6.885 1.00 0.00 N ATOM 276 CA LYS A 19 -23.121 22.007 -6.889 1.00 0.00 C ATOM 277 C LYS A 19 -22.239 21.079 -7.719 1.00 0.00 C ATOM 278 O LYS A 19 -22.218 19.867 -7.502 1.00 0.00 O ATOM 279 CB LYS A 19 -22.586 22.093 -5.458 1.00 0.00 C ATOM 280 CG LYS A 19 -21.092 22.357 -5.383 1.00 0.00 C ATOM 281 CD LYS A 19 -20.302 21.063 -5.275 1.00 0.00 C ATOM 282 CE LYS A 19 -18.914 21.304 -4.703 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.404 20.114 -3.966 1.00 0.00 N ATOM 0 H LYS A 19 -24.646 20.644 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.098 23.000 -7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.114 22.886 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.808 21.161 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.774 22.906 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.876 22.989 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.841 20.358 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.216 20.604 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.226 21.553 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.942 22.163 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.313 20.344 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.068 19.322 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.474 19.844 -4.344 1.00 0.00 H new ATOM 297 N THR A 20 -21.510 21.656 -8.669 1.00 0.00 N ATOM 298 CA THR A 20 -20.626 20.881 -9.530 1.00 0.00 C ATOM 299 C THR A 20 -19.245 20.727 -8.904 1.00 0.00 C ATOM 300 O THR A 20 -18.604 21.715 -8.541 1.00 0.00 O ATOM 301 CB THR A 20 -20.478 21.534 -10.917 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.668 22.262 -11.245 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.210 20.484 -11.985 1.00 0.00 C ATOM 0 H THR A 20 -21.515 22.658 -8.861 1.00 0.00 H new ATOM 0 HA THR A 20 -21.081 19.897 -9.646 1.00 0.00 H new ATOM 0 HB THR A 20 -19.630 22.219 -10.883 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.566 22.676 -12.127 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.109 20.970 -12.956 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.289 19.951 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.040 19.778 -12.017 1.00 0.00 H new ATOM 311 N ILE A 21 -18.791 19.485 -8.781 1.00 0.00 N ATOM 312 CA ILE A 21 -17.484 19.203 -8.201 1.00 0.00 C ATOM 313 C ILE A 21 -16.561 18.541 -9.218 1.00 0.00 C ATOM 314 O ILE A 21 -16.961 17.616 -9.927 1.00 0.00 O ATOM 315 CB ILE A 21 -17.602 18.294 -6.963 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.212 17.891 -6.465 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.432 17.061 -7.289 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.744 16.554 -6.996 1.00 0.00 C ATOM 0 H ILE A 21 -19.309 18.657 -9.075 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.060 20.161 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.105 18.848 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.495 18.659 -6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.221 17.857 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.507 16.428 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.430 17.367 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.954 16.503 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.752 16.333 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.440 15.775 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.702 16.589 -8.085 1.00 0.00 H new ATOM 330 N THR A 22 -15.322 19.019 -9.285 1.00 0.00 N ATOM 331 CA THR A 22 -14.342 18.473 -10.215 1.00 0.00 C ATOM 332 C THR A 22 -13.692 17.214 -9.653 1.00 0.00 C ATOM 333 O THR A 22 -13.245 17.193 -8.505 1.00 0.00 O ATOM 334 CB THR A 22 -13.243 19.503 -10.540 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.753 20.831 -10.382 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.730 19.316 -11.960 1.00 0.00 C ATOM 0 H THR A 22 -14.974 19.783 -8.706 1.00 0.00 H new ATOM 0 HA THR A 22 -14.879 18.223 -11.130 1.00 0.00 H new ATOM 0 HB THR A 22 -12.415 19.349 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.048 21.479 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.955 20.054 -12.167 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.315 18.314 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.552 19.446 -12.664 1.00 0.00 H new ATOM 344 N LEU A 23 -13.643 16.166 -10.467 1.00 0.00 N ATOM 345 CA LEU A 23 -13.047 14.901 -10.051 1.00 0.00 C ATOM 346 C LEU A 23 -12.095 14.371 -11.118 1.00 0.00 C ATOM 347 O LEU A 23 -12.336 14.532 -12.314 1.00 0.00 O ATOM 348 CB LEU A 23 -14.139 13.868 -9.767 1.00 0.00 C ATOM 349 CG LEU A 23 -13.834 12.854 -8.664 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.789 13.539 -7.307 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.868 11.737 -8.666 1.00 0.00 C ATOM 0 H LEU A 23 -14.009 16.167 -11.419 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.478 15.079 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.053 14.399 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.343 13.322 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.855 12.416 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.571 12.802 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.011 14.302 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.753 14.005 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.635 11.024 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.859 12.158 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.851 11.227 -9.629 1.00 0.00 H new ATOM 363 N GLU A 24 -11.014 13.735 -10.676 1.00 0.00 N ATOM 364 CA GLU A 24 -10.026 13.180 -11.595 1.00 0.00 C ATOM 365 C GLU A 24 -9.981 11.658 -11.490 1.00 0.00 C ATOM 366 O GLU A 24 -9.868 11.103 -10.397 1.00 0.00 O ATOM 367 CB GLU A 24 -8.642 13.763 -11.304 1.00 0.00 C ATOM 368 CG GLU A 24 -7.500 12.909 -11.826 1.00 0.00 C ATOM 369 CD GLU A 24 -6.273 13.727 -12.181 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.433 14.793 -12.811 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.154 13.302 -11.826 1.00 0.00 O ATOM 0 H GLU A 24 -10.800 13.591 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.319 13.449 -12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.575 14.756 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.529 13.887 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.232 12.168 -11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.834 12.362 -12.707 1.00 0.00 H new ATOM 378 N VAL A 25 -10.072 10.989 -12.635 1.00 0.00 N ATOM 379 CA VAL A 25 -10.041 9.532 -12.673 1.00 0.00 C ATOM 380 C VAL A 25 -9.304 9.030 -13.910 1.00 0.00 C ATOM 381 O VAL A 25 -8.930 9.814 -14.781 1.00 0.00 O ATOM 382 CB VAL A 25 -11.463 8.940 -12.661 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.530 7.729 -11.744 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.475 9.994 -12.240 1.00 0.00 C ATOM 0 H VAL A 25 -10.168 11.433 -13.548 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.511 9.203 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.710 8.614 -13.671 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.542 7.325 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.834 6.968 -12.095 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.262 8.025 -10.730 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.474 9.558 -12.237 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.232 10.352 -11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.445 10.828 -12.941 1.00 0.00 H new ATOM 394 N GLU A 26 -9.100 7.719 -13.980 1.00 0.00 N ATOM 395 CA GLU A 26 -8.407 7.113 -15.110 1.00 0.00 C ATOM 396 C GLU A 26 -9.390 6.387 -16.025 1.00 0.00 C ATOM 397 O GLU A 26 -10.468 5.963 -15.608 1.00 0.00 O ATOM 398 CB GLU A 26 -7.336 6.137 -14.618 1.00 0.00 C ATOM 399 CG GLU A 26 -6.567 6.639 -13.408 1.00 0.00 C ATOM 400 CD GLU A 26 -5.425 5.719 -13.020 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.589 5.410 -13.894 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.368 5.310 -11.841 1.00 0.00 O ATOM 0 H GLU A 26 -9.405 7.056 -13.267 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.928 7.910 -15.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.809 5.187 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.634 5.941 -15.429 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.172 7.633 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.250 6.740 -12.564 1.00 0.00 H new ATOM 409 N PRO A 27 -9.010 6.240 -17.303 1.00 0.00 N ATOM 410 CA PRO A 27 -9.843 5.566 -18.304 1.00 0.00 C ATOM 411 C PRO A 27 -9.942 4.064 -18.059 1.00 0.00 C ATOM 412 O PRO A 27 -10.787 3.385 -18.642 1.00 0.00 O ATOM 413 CB PRO A 27 -9.112 5.846 -19.620 1.00 0.00 C ATOM 414 CG PRO A 27 -7.694 6.071 -19.225 1.00 0.00 C ATOM 415 CD PRO A 27 -7.739 6.721 -17.870 1.00 0.00 C ATOM 0 HA PRO A 27 -10.872 5.925 -18.287 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.202 5.007 -20.309 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.526 6.719 -20.125 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.145 5.130 -19.188 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.184 6.709 -19.947 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.888 6.428 -17.255 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.718 7.808 -17.945 1.00 0.00 H new ATOM 423 N SER A 28 -9.074 3.552 -17.192 1.00 0.00 N ATOM 424 CA SER A 28 -9.062 2.129 -16.872 1.00 0.00 C ATOM 425 C SER A 28 -9.557 1.888 -15.450 1.00 0.00 C ATOM 426 O SER A 28 -9.873 0.759 -15.074 1.00 0.00 O ATOM 427 CB SER A 28 -7.651 1.560 -17.037 1.00 0.00 C ATOM 428 OG SER A 28 -6.682 2.594 -17.047 1.00 0.00 O ATOM 0 H SER A 28 -8.370 4.101 -16.699 1.00 0.00 H new ATOM 0 HA SER A 28 -9.734 1.620 -17.563 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.438 0.866 -16.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.591 0.992 -17.965 1.00 0.00 H new ATOM 0 HG SER A 28 -5.789 2.204 -17.152 1.00 0.00 H new ATOM 434 N ASP A 29 -9.622 2.957 -14.664 1.00 0.00 N ATOM 435 CA ASP A 29 -10.080 2.863 -13.282 1.00 0.00 C ATOM 436 C ASP A 29 -11.526 2.382 -13.220 1.00 0.00 C ATOM 437 O ASP A 29 -12.314 2.629 -14.134 1.00 0.00 O ATOM 438 CB ASP A 29 -9.950 4.219 -12.587 1.00 0.00 C ATOM 439 CG ASP A 29 -8.553 4.465 -12.052 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.609 3.809 -12.538 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.405 5.312 -11.146 1.00 0.00 O ATOM 0 H ASP A 29 -9.364 3.898 -14.960 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.453 2.137 -12.765 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.211 5.010 -13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.665 4.273 -11.766 1.00 0.00 H new ATOM 446 N THR A 30 -11.869 1.691 -12.137 1.00 0.00 N ATOM 447 CA THR A 30 -13.219 1.173 -11.957 1.00 0.00 C ATOM 448 C THR A 30 -14.082 2.149 -11.165 1.00 0.00 C ATOM 449 O THR A 30 -13.587 3.152 -10.649 1.00 0.00 O ATOM 450 CB THR A 30 -13.207 -0.187 -11.234 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.249 -0.167 -10.170 1.00 0.00 O ATOM 452 CG2 THR A 30 -12.875 -1.312 -12.202 1.00 0.00 C ATOM 0 H THR A 30 -11.230 1.477 -11.371 1.00 0.00 H new ATOM 0 HA THR A 30 -13.643 1.043 -12.953 1.00 0.00 H new ATOM 0 HB THR A 30 -14.201 -0.365 -10.824 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.071 0.760 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.872 -2.262 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.623 -1.343 -12.994 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.891 -1.138 -12.638 1.00 0.00 H new ATOM 460 N ILE A 31 -15.373 1.850 -11.073 1.00 0.00 N ATOM 461 CA ILE A 31 -16.304 2.701 -10.342 1.00 0.00 C ATOM 462 C ILE A 31 -15.800 2.980 -8.930 1.00 0.00 C ATOM 463 O ILE A 31 -15.867 4.111 -8.450 1.00 0.00 O ATOM 464 CB ILE A 31 -17.703 2.064 -10.260 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.256 1.812 -11.664 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.646 2.957 -9.466 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.353 3.063 -12.509 1.00 0.00 C ATOM 0 H ILE A 31 -15.798 1.025 -11.495 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.373 3.639 -10.892 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.620 1.107 -9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.619 1.089 -12.172 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.245 1.362 -11.581 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.631 2.493 -9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.257 3.091 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.726 3.928 -9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.753 2.809 -13.491 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.014 3.780 -12.023 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.362 3.503 -12.623 1.00 0.00 H new ATOM 479 N GLU A 32 -15.295 1.942 -8.272 1.00 0.00 N ATOM 480 CA GLU A 32 -14.779 2.076 -6.915 1.00 0.00 C ATOM 481 C GLU A 32 -13.770 3.218 -6.827 1.00 0.00 C ATOM 482 O GLU A 32 -13.668 3.892 -5.803 1.00 0.00 O ATOM 483 CB GLU A 32 -14.127 0.768 -6.461 1.00 0.00 C ATOM 484 CG GLU A 32 -13.084 0.240 -7.432 1.00 0.00 C ATOM 485 CD GLU A 32 -12.228 -0.857 -6.828 1.00 0.00 C ATOM 486 OE1 GLU A 32 -11.682 -0.645 -5.726 1.00 0.00 O ATOM 487 OE2 GLU A 32 -12.106 -1.928 -7.460 1.00 0.00 O ATOM 0 H GLU A 32 -15.232 0.999 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.617 2.303 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.660 0.923 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.902 0.013 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.583 -0.142 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.443 1.061 -7.753 1.00 0.00 H new ATOM 494 N ASN A 33 -13.027 3.427 -7.908 1.00 0.00 N ATOM 495 CA ASN A 33 -12.025 4.486 -7.954 1.00 0.00 C ATOM 496 C ASN A 33 -12.687 5.859 -8.016 1.00 0.00 C ATOM 497 O ASN A 33 -12.309 6.776 -7.287 1.00 0.00 O ATOM 498 CB ASN A 33 -11.106 4.295 -9.162 1.00 0.00 C ATOM 499 CG ASN A 33 -10.360 2.975 -9.118 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.856 1.954 -9.594 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.162 2.991 -8.545 1.00 0.00 N ATOM 0 H ASN A 33 -13.099 2.877 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.431 4.430 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.697 4.345 -10.076 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.388 5.114 -9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.613 2.133 -8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.791 3.861 -8.164 1.00 0.00 H new ATOM 508 N VAL A 34 -13.678 5.993 -8.892 1.00 0.00 N ATOM 509 CA VAL A 34 -14.395 7.253 -9.048 1.00 0.00 C ATOM 510 C VAL A 34 -14.916 7.760 -7.708 1.00 0.00 C ATOM 511 O VAL A 34 -14.805 8.945 -7.394 1.00 0.00 O ATOM 512 CB VAL A 34 -15.577 7.109 -10.025 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.348 8.416 -10.127 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.086 6.662 -11.393 1.00 0.00 C ATOM 0 H VAL A 34 -14.002 5.245 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.684 7.973 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.253 6.346 -9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.179 8.295 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.733 8.689 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.685 9.202 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.934 6.565 -12.070 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.388 7.400 -11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.583 5.699 -11.302 1.00 0.00 H new ATOM 524 N LYS A 35 -15.483 6.854 -6.920 1.00 0.00 N ATOM 525 CA LYS A 35 -16.021 7.207 -5.611 1.00 0.00 C ATOM 526 C LYS A 35 -14.897 7.472 -4.615 1.00 0.00 C ATOM 527 O LYS A 35 -15.064 8.237 -3.666 1.00 0.00 O ATOM 528 CB LYS A 35 -16.925 6.088 -5.090 1.00 0.00 C ATOM 529 CG LYS A 35 -17.339 6.266 -3.639 1.00 0.00 C ATOM 530 CD LYS A 35 -16.534 5.367 -2.715 1.00 0.00 C ATOM 531 CE LYS A 35 -17.344 4.951 -1.498 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.481 4.384 -0.424 1.00 0.00 N ATOM 0 H LYS A 35 -15.582 5.869 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.608 8.119 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.820 6.036 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.407 5.135 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.202 7.307 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.400 6.042 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.211 4.479 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.633 5.888 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.886 5.814 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.089 4.212 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.833 4.694 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.502 3.345 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.504 4.717 -0.552 1.00 0.00 H new ATOM 546 N ALA A 36 -13.751 6.836 -4.838 1.00 0.00 N ATOM 547 CA ALA A 36 -12.599 7.006 -3.962 1.00 0.00 C ATOM 548 C ALA A 36 -12.226 8.478 -3.826 1.00 0.00 C ATOM 549 O ALA A 36 -11.881 8.945 -2.740 1.00 0.00 O ATOM 550 CB ALA A 36 -11.416 6.205 -4.485 1.00 0.00 C ATOM 0 H ALA A 36 -13.596 6.198 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.867 6.634 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.562 6.341 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.681 5.148 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.156 6.551 -5.486 1.00 0.00 H new ATOM 556 N LYS A 37 -12.295 9.206 -4.936 1.00 0.00 N ATOM 557 CA LYS A 37 -11.965 10.626 -4.941 1.00 0.00 C ATOM 558 C LYS A 37 -13.089 11.449 -4.319 1.00 0.00 C ATOM 559 O LYS A 37 -12.848 12.507 -3.738 1.00 0.00 O ATOM 560 CB LYS A 37 -11.701 11.104 -6.371 1.00 0.00 C ATOM 561 CG LYS A 37 -10.925 12.407 -6.443 1.00 0.00 C ATOM 562 CD LYS A 37 -9.429 12.173 -6.317 1.00 0.00 C ATOM 563 CE LYS A 37 -8.824 11.709 -7.633 1.00 0.00 C ATOM 564 NZ LYS A 37 -7.335 11.713 -7.592 1.00 0.00 N ATOM 0 H LYS A 37 -12.577 8.835 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.063 10.765 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.149 10.332 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.654 11.230 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.138 12.906 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.258 13.074 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.942 13.094 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.240 11.427 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.178 10.704 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.167 12.358 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.962 11.391 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.996 12.677 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.007 11.074 -6.840 1.00 0.00 H new ATOM 578 N ILE A 38 -14.316 10.955 -4.443 1.00 0.00 N ATOM 579 CA ILE A 38 -15.476 11.643 -3.890 1.00 0.00 C ATOM 580 C ILE A 38 -15.416 11.686 -2.367 1.00 0.00 C ATOM 581 O ILE A 38 -15.921 12.618 -1.743 1.00 0.00 O ATOM 582 CB ILE A 38 -16.791 10.966 -4.321 1.00 0.00 C ATOM 583 CG1 ILE A 38 -16.935 11.007 -5.844 1.00 0.00 C ATOM 584 CG2 ILE A 38 -17.979 11.643 -3.653 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.030 12.408 -6.405 1.00 0.00 C ATOM 0 H ILE A 38 -14.533 10.081 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.455 12.660 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.767 9.923 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.081 10.501 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.825 10.448 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.901 11.154 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.879 11.568 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.009 12.693 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.130 12.360 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -17.900 12.911 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.129 12.965 -6.148 1.00 0.00 H new ATOM 597 N GLN A 39 -14.792 10.672 -1.776 1.00 0.00 N ATOM 598 CA GLN A 39 -14.664 10.595 -0.326 1.00 0.00 C ATOM 599 C GLN A 39 -14.026 11.862 0.232 1.00 0.00 C ATOM 600 O GLN A 39 -14.344 12.293 1.341 1.00 0.00 O ATOM 601 CB GLN A 39 -13.832 9.374 0.070 1.00 0.00 C ATOM 602 CG GLN A 39 -14.665 8.132 0.344 1.00 0.00 C ATOM 603 CD GLN A 39 -15.116 8.040 1.789 1.00 0.00 C ATOM 604 OE1 GLN A 39 -14.724 8.852 2.627 1.00 0.00 O ATOM 605 NE2 GLN A 39 -15.945 7.046 2.088 1.00 0.00 N ATOM 0 H GLN A 39 -14.367 9.893 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.664 10.497 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.121 9.156 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.250 9.614 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.540 8.135 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.083 7.246 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.244 6.396 1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.282 6.933 3.044 1.00 0.00 H new ATOM 614 N ASP A 40 -13.123 12.455 -0.542 1.00 0.00 N ATOM 615 CA ASP A 40 -12.440 13.674 -0.125 1.00 0.00 C ATOM 616 C ASP A 40 -13.344 14.890 -0.300 1.00 0.00 C ATOM 617 O ASP A 40 -13.157 15.916 0.354 1.00 0.00 O ATOM 618 CB ASP A 40 -11.152 13.862 -0.927 1.00 0.00 C ATOM 619 CG ASP A 40 -10.237 14.906 -0.318 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.440 15.255 0.864 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.318 15.372 -1.022 1.00 0.00 O ATOM 0 H ASP A 40 -12.847 12.111 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.190 13.578 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.623 12.911 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.402 14.153 -1.947 1.00 0.00 H new ATOM 626 N LYS A 41 -14.325 14.769 -1.188 1.00 0.00 N ATOM 627 CA LYS A 41 -15.260 15.858 -1.450 1.00 0.00 C ATOM 628 C LYS A 41 -16.368 15.887 -0.403 1.00 0.00 C ATOM 629 O LYS A 41 -16.651 16.930 0.186 1.00 0.00 O ATOM 630 CB LYS A 41 -15.867 15.711 -2.847 1.00 0.00 C ATOM 631 CG LYS A 41 -14.854 15.335 -3.914 1.00 0.00 C ATOM 632 CD LYS A 41 -13.838 16.443 -4.134 1.00 0.00 C ATOM 633 CE LYS A 41 -12.595 16.238 -3.281 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.493 17.158 -3.676 1.00 0.00 N ATOM 0 H LYS A 41 -14.494 13.927 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.710 16.797 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.648 14.952 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.345 16.650 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.338 14.420 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.371 15.124 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.557 16.476 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.290 17.405 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.844 16.399 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.257 15.206 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.664 16.987 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.238 16.987 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.806 18.143 -3.563 1.00 0.00 H new ATOM 648 N GLU A 42 -16.992 14.735 -0.175 1.00 0.00 N ATOM 649 CA GLU A 42 -18.069 14.630 0.802 1.00 0.00 C ATOM 650 C GLU A 42 -17.736 13.591 1.869 1.00 0.00 C ATOM 651 O GLU A 42 -18.084 13.752 3.038 1.00 0.00 O ATOM 652 CB GLU A 42 -19.382 14.263 0.109 1.00 0.00 C ATOM 653 CG GLU A 42 -19.950 15.380 -0.750 1.00 0.00 C ATOM 654 CD GLU A 42 -20.259 16.631 0.049 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.925 16.514 1.099 1.00 0.00 O ATOM 656 OE2 GLU A 42 -19.836 17.726 -0.376 1.00 0.00 O ATOM 0 H GLU A 42 -16.770 13.862 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.181 15.600 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.221 13.383 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.117 13.988 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.239 15.624 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.860 15.031 -1.238 1.00 0.00 H new ATOM 663 N GLY A 43 -17.059 12.523 1.457 1.00 0.00 N ATOM 664 CA GLY A 43 -16.691 11.473 2.388 1.00 0.00 C ATOM 665 C GLY A 43 -17.875 10.620 2.797 1.00 0.00 C ATOM 666 O GLY A 43 -18.282 10.627 3.960 1.00 0.00 O ATOM 0 H GLY A 43 -16.759 12.367 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.930 10.839 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.245 11.919 3.277 1.00 0.00 H new ATOM 670 N ILE A 44 -18.431 9.884 1.841 1.00 0.00 N ATOM 671 CA ILE A 44 -19.576 9.022 2.108 1.00 0.00 C ATOM 672 C ILE A 44 -19.293 7.585 1.683 1.00 0.00 C ATOM 673 O ILE A 44 -18.506 7.324 0.773 1.00 0.00 O ATOM 674 CB ILE A 44 -20.838 9.522 1.382 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.520 9.838 -0.081 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.403 10.748 2.084 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.727 10.276 -0.881 1.00 0.00 C ATOM 0 H ILE A 44 -18.107 9.867 0.874 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.750 9.052 3.184 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.590 8.734 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.765 10.623 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.085 8.955 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.295 11.089 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.663 10.492 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.657 11.542 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.427 10.483 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.475 9.483 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.150 11.178 -0.438 1.00 0.00 H new ATOM 689 N PRO A 45 -19.952 6.629 2.354 1.00 0.00 N ATOM 690 CA PRO A 45 -19.790 5.202 2.062 1.00 0.00 C ATOM 691 C PRO A 45 -20.397 4.813 0.718 1.00 0.00 C ATOM 692 O PRO A 45 -21.156 5.568 0.111 1.00 0.00 O ATOM 693 CB PRO A 45 -20.543 4.518 3.206 1.00 0.00 C ATOM 694 CG PRO A 45 -21.547 5.523 3.653 1.00 0.00 C ATOM 695 CD PRO A 45 -20.906 6.868 3.451 1.00 0.00 C ATOM 0 HA PRO A 45 -18.740 4.917 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -21.025 3.600 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.868 4.245 4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.467 5.439 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.812 5.371 4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.641 7.628 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.402 7.213 4.354 1.00 0.00 H new ATOM 703 N PRO A 46 -20.057 3.606 0.241 1.00 0.00 N ATOM 704 CA PRO A 46 -20.559 3.090 -1.036 1.00 0.00 C ATOM 705 C PRO A 46 -22.046 2.758 -0.983 1.00 0.00 C ATOM 706 O PRO A 46 -22.753 2.869 -1.985 1.00 0.00 O ATOM 707 CB PRO A 46 -19.735 1.818 -1.252 1.00 0.00 C ATOM 708 CG PRO A 46 -19.334 1.389 0.117 1.00 0.00 C ATOM 709 CD PRO A 46 -19.157 2.653 0.912 1.00 0.00 C ATOM 0 HA PRO A 46 -20.460 3.821 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.321 1.047 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.863 2.012 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -20.095 0.750 0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.409 0.812 0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.429 2.511 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.123 2.997 0.895 1.00 0.00 H new ATOM 717 N ASP A 47 -22.515 2.351 0.192 1.00 0.00 N ATOM 718 CA ASP A 47 -23.920 2.005 0.375 1.00 0.00 C ATOM 719 C ASP A 47 -24.800 3.249 0.311 1.00 0.00 C ATOM 720 O ASP A 47 -25.987 3.166 -0.003 1.00 0.00 O ATOM 721 CB ASP A 47 -24.121 1.292 1.714 1.00 0.00 C ATOM 722 CG ASP A 47 -23.499 -0.091 1.732 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.187 -0.615 0.642 1.00 0.00 O ATOM 724 OD2 ASP A 47 -23.326 -0.650 2.836 1.00 0.00 O ATOM 0 H ASP A 47 -21.943 2.253 1.031 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.211 1.334 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.685 1.894 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.188 1.210 1.922 1.00 0.00 H new ATOM 729 N GLN A 48 -24.209 4.401 0.611 1.00 0.00 N ATOM 730 CA GLN A 48 -24.940 5.663 0.589 1.00 0.00 C ATOM 731 C GLN A 48 -24.626 6.452 -0.678 1.00 0.00 C ATOM 732 O GLN A 48 -25.413 7.295 -1.105 1.00 0.00 O ATOM 733 CB GLN A 48 -24.595 6.498 1.823 1.00 0.00 C ATOM 734 CG GLN A 48 -25.056 5.873 3.129 1.00 0.00 C ATOM 735 CD GLN A 48 -24.405 6.508 4.342 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.164 7.715 4.371 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.117 5.696 5.352 1.00 0.00 N ATOM 0 H GLN A 48 -23.227 4.487 0.872 1.00 0.00 H new ATOM 0 HA GLN A 48 -26.006 5.437 0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.516 6.645 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.048 7.484 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.139 5.969 3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.830 4.807 3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.334 4.702 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.678 6.066 6.195 1.00 0.00 H new ATOM 746 N GLN A 49 -23.471 6.171 -1.273 1.00 0.00 N ATOM 747 CA GLN A 49 -23.053 6.856 -2.491 1.00 0.00 C ATOM 748 C GLN A 49 -23.264 5.969 -3.713 1.00 0.00 C ATOM 749 O GLN A 49 -22.880 4.800 -3.718 1.00 0.00 O ATOM 750 CB GLN A 49 -21.583 7.267 -2.391 1.00 0.00 C ATOM 751 CG GLN A 49 -21.156 8.262 -3.458 1.00 0.00 C ATOM 752 CD GLN A 49 -19.654 8.458 -3.505 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.979 8.420 -2.476 1.00 0.00 O ATOM 754 NE2 GLN A 49 -19.121 8.669 -4.703 1.00 0.00 N ATOM 0 H GLN A 49 -22.809 5.474 -0.932 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.666 7.750 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.402 7.701 -1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.959 6.376 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -21.504 7.917 -4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -21.638 9.221 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.718 8.693 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.115 8.807 -4.796 1.00 0.00 H new ATOM 763 N ARG A 50 -23.877 6.534 -4.749 1.00 0.00 N ATOM 764 CA ARG A 50 -24.140 5.794 -5.977 1.00 0.00 C ATOM 765 C ARG A 50 -23.962 6.689 -7.200 1.00 0.00 C ATOM 766 O ARG A 50 -24.424 7.831 -7.219 1.00 0.00 O ATOM 767 CB ARG A 50 -25.557 5.216 -5.956 1.00 0.00 C ATOM 768 CG ARG A 50 -25.739 4.086 -4.956 1.00 0.00 C ATOM 769 CD ARG A 50 -24.892 2.877 -5.322 1.00 0.00 C ATOM 770 NE ARG A 50 -25.187 1.725 -4.474 1.00 0.00 N ATOM 771 CZ ARG A 50 -26.310 1.020 -4.556 1.00 0.00 C ATOM 772 NH1 ARG A 50 -27.239 1.348 -5.444 1.00 0.00 N ATOM 773 NH2 ARG A 50 -26.505 -0.015 -3.749 1.00 0.00 N ATOM 0 H ARG A 50 -24.200 7.501 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.422 4.976 -6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.262 6.014 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.806 4.852 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.468 4.434 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.790 3.798 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.068 2.614 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -23.836 3.133 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 50 -24.493 1.446 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.092 2.143 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -28.100 0.805 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -25.792 -0.270 -3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.367 -0.556 -3.813 1.00 0.00 H new ATOM 787 N LEU A 51 -23.290 6.164 -8.218 1.00 0.00 N ATOM 788 CA LEU A 51 -23.051 6.915 -9.446 1.00 0.00 C ATOM 789 C LEU A 51 -24.117 6.604 -10.491 1.00 0.00 C ATOM 790 O LEU A 51 -24.486 5.446 -10.690 1.00 0.00 O ATOM 791 CB LEU A 51 -21.663 6.591 -10.003 1.00 0.00 C ATOM 792 CG LEU A 51 -20.476 7.042 -9.151 1.00 0.00 C ATOM 793 CD1 LEU A 51 -19.167 6.779 -9.879 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.604 8.516 -8.795 1.00 0.00 C ATOM 0 H LEU A 51 -22.901 5.221 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.101 7.978 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.593 5.513 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.573 7.049 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.476 6.465 -8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.333 7.106 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.072 5.712 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.157 7.330 -10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.751 8.819 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.629 9.110 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.524 8.676 -8.233 1.00 0.00 H new ATOM 806 N ILE A 52 -24.605 7.644 -11.159 1.00 0.00 N ATOM 807 CA ILE A 52 -25.626 7.481 -12.186 1.00 0.00 C ATOM 808 C ILE A 52 -25.112 7.935 -13.548 1.00 0.00 C ATOM 809 O ILE A 52 -24.406 8.939 -13.655 1.00 0.00 O ATOM 810 CB ILE A 52 -26.902 8.271 -11.842 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.301 8.028 -10.385 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.035 7.880 -12.779 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.529 6.570 -10.056 1.00 0.00 C ATOM 0 H ILE A 52 -24.310 8.608 -11.007 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.867 6.419 -12.226 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.700 9.334 -11.971 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.521 8.422 -9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.211 8.588 -10.168 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.930 8.447 -12.524 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.748 8.099 -13.808 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.239 6.814 -12.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.809 6.473 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.329 6.176 -10.683 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.614 6.008 -10.241 1.00 0.00 H new ATOM 825 N PHE A 53 -25.471 7.190 -14.589 1.00 0.00 N ATOM 826 CA PHE A 53 -25.047 7.517 -15.945 1.00 0.00 C ATOM 827 C PHE A 53 -26.167 7.244 -16.945 1.00 0.00 C ATOM 828 O PHE A 53 -26.586 6.101 -17.128 1.00 0.00 O ATOM 829 CB PHE A 53 -23.804 6.708 -16.322 1.00 0.00 C ATOM 830 CG PHE A 53 -23.142 7.180 -17.585 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.189 8.186 -17.549 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.472 6.618 -18.808 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.580 8.622 -18.710 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.866 7.051 -19.972 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.917 8.053 -19.923 1.00 0.00 C ATOM 0 H PHE A 53 -26.054 6.356 -14.519 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.805 8.579 -15.977 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.086 6.758 -15.504 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.083 5.661 -16.437 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -21.920 8.634 -16.604 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.212 5.832 -18.852 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.840 9.408 -18.669 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.134 6.606 -20.919 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.439 8.391 -20.831 1.00 0.00 H new ATOM 845 N ALA A 54 -26.648 8.303 -17.589 1.00 0.00 N ATOM 846 CA ALA A 54 -27.718 8.178 -18.571 1.00 0.00 C ATOM 847 C ALA A 54 -28.940 7.494 -17.968 1.00 0.00 C ATOM 848 O ALA A 54 -29.620 6.716 -18.636 1.00 0.00 O ATOM 849 CB ALA A 54 -27.228 7.411 -19.790 1.00 0.00 C ATOM 0 H ALA A 54 -26.314 9.256 -17.448 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.013 9.181 -18.881 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.037 7.325 -20.515 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.391 7.943 -20.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.905 6.415 -19.487 1.00 0.00 H new ATOM 855 N GLY A 55 -29.213 7.790 -16.701 1.00 0.00 N ATOM 856 CA GLY A 55 -30.353 7.193 -16.029 1.00 0.00 C ATOM 857 C GLY A 55 -30.107 5.749 -15.641 1.00 0.00 C ATOM 858 O GLY A 55 -31.048 4.995 -15.395 1.00 0.00 O ATOM 0 H GLY A 55 -28.666 8.432 -16.128 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.587 7.771 -15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.225 7.247 -16.681 1.00 0.00 H new ATOM 862 N LYS A 56 -28.837 5.361 -15.586 1.00 0.00 N ATOM 863 CA LYS A 56 -28.468 3.998 -15.225 1.00 0.00 C ATOM 864 C LYS A 56 -27.436 3.992 -14.101 1.00 0.00 C ATOM 865 O LYS A 56 -26.387 4.627 -14.208 1.00 0.00 O ATOM 866 CB LYS A 56 -27.913 3.258 -16.444 1.00 0.00 C ATOM 867 CG LYS A 56 -27.769 1.760 -16.233 1.00 0.00 C ATOM 868 CD LYS A 56 -26.758 1.157 -17.194 1.00 0.00 C ATOM 869 CE LYS A 56 -27.414 0.732 -18.499 1.00 0.00 C ATOM 870 NZ LYS A 56 -27.522 1.865 -19.459 1.00 0.00 N ATOM 0 H LYS A 56 -28.046 5.972 -15.787 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.365 3.487 -14.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.570 3.435 -17.296 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.939 3.676 -16.700 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.459 1.564 -15.207 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -28.737 1.277 -16.371 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -25.972 1.884 -17.400 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -26.281 0.295 -16.728 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -26.835 -0.073 -18.951 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.408 0.334 -18.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.510 1.965 -19.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.214 2.744 -18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -26.917 1.679 -20.285 1.00 0.00 H new ATOM 884 N GLN A 57 -27.742 3.272 -13.027 1.00 0.00 N ATOM 885 CA GLN A 57 -26.840 3.184 -11.885 1.00 0.00 C ATOM 886 C GLN A 57 -25.544 2.476 -12.267 1.00 0.00 C ATOM 887 O GLN A 57 -25.535 1.602 -13.134 1.00 0.00 O ATOM 888 CB GLN A 57 -27.517 2.446 -10.729 1.00 0.00 C ATOM 889 CG GLN A 57 -28.945 2.898 -10.471 1.00 0.00 C ATOM 890 CD GLN A 57 -29.410 2.587 -9.062 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.844 1.472 -8.771 1.00 0.00 O ATOM 892 NE2 GLN A 57 -29.323 3.575 -8.178 1.00 0.00 N ATOM 0 H GLN A 57 -28.607 2.741 -12.924 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.598 4.198 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.516 1.377 -10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -26.929 2.591 -9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -29.019 3.971 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -29.610 2.412 -11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -28.957 4.483 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -29.622 3.425 -7.214 1.00 0.00 H new ATOM 901 N LEU A 58 -24.452 2.859 -11.615 1.00 0.00 N ATOM 902 CA LEU A 58 -23.150 2.261 -11.887 1.00 0.00 C ATOM 903 C LEU A 58 -22.696 1.391 -10.719 1.00 0.00 C ATOM 904 O LEU A 58 -23.098 1.610 -9.577 1.00 0.00 O ATOM 905 CB LEU A 58 -22.112 3.352 -12.159 1.00 0.00 C ATOM 906 CG LEU A 58 -22.550 4.475 -13.100 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.476 5.549 -13.184 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.862 3.921 -14.482 1.00 0.00 C ATOM 0 H LEU A 58 -24.442 3.581 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.245 1.630 -12.771 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.822 3.796 -11.206 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.221 2.882 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.457 4.927 -12.699 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.805 6.340 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.301 5.966 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.552 5.111 -13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.172 4.734 -15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.972 3.443 -14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.666 3.188 -14.407 1.00 0.00 H new ATOM 920 N GLU A 59 -21.854 0.406 -11.014 1.00 0.00 N ATOM 921 CA GLU A 59 -21.344 -0.496 -9.988 1.00 0.00 C ATOM 922 C GLU A 59 -19.965 -1.028 -10.367 1.00 0.00 C ATOM 923 O GLU A 59 -19.538 -0.913 -11.516 1.00 0.00 O ATOM 924 CB GLU A 59 -22.312 -1.662 -9.775 1.00 0.00 C ATOM 925 CG GLU A 59 -23.609 -1.259 -9.093 1.00 0.00 C ATOM 926 CD GLU A 59 -23.386 -0.698 -7.702 1.00 0.00 C ATOM 927 OE1 GLU A 59 -22.322 -0.981 -7.112 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.275 0.023 -7.203 1.00 0.00 O ATOM 0 H GLU A 59 -21.511 0.212 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.254 0.067 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.543 -2.112 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.819 -2.428 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.120 -0.515 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.267 -2.126 -9.030 1.00 0.00 H new ATOM 935 N ASP A 60 -19.274 -1.611 -9.393 1.00 0.00 N ATOM 936 CA ASP A 60 -17.944 -2.162 -9.624 1.00 0.00 C ATOM 937 C ASP A 60 -17.969 -3.190 -10.751 1.00 0.00 C ATOM 938 O ASP A 60 -19.029 -3.516 -11.284 1.00 0.00 O ATOM 939 CB ASP A 60 -17.406 -2.804 -8.344 1.00 0.00 C ATOM 940 CG ASP A 60 -15.892 -2.765 -8.270 1.00 0.00 C ATOM 941 OD1 ASP A 60 -15.249 -3.716 -8.762 1.00 0.00 O ATOM 942 OD2 ASP A 60 -15.350 -1.784 -7.720 1.00 0.00 O ATOM 0 H ASP A 60 -19.613 -1.714 -8.437 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.285 -1.345 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.823 -2.288 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.743 -3.839 -8.291 1.00 0.00 H new ATOM 947 N GLY A 61 -16.793 -3.696 -11.111 1.00 0.00 N ATOM 948 CA GLY A 61 -16.703 -4.680 -12.173 1.00 0.00 C ATOM 949 C GLY A 61 -16.291 -4.067 -13.497 1.00 0.00 C ATOM 950 O GLY A 61 -15.383 -4.565 -14.164 1.00 0.00 O ATOM 0 H GLY A 61 -15.901 -3.442 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.983 -5.449 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.668 -5.174 -12.289 1.00 0.00 H new ATOM 954 N ARG A 62 -16.961 -2.985 -13.881 1.00 0.00 N ATOM 955 CA ARG A 62 -16.662 -2.306 -15.136 1.00 0.00 C ATOM 956 C ARG A 62 -15.810 -1.064 -14.892 1.00 0.00 C ATOM 957 O ARG A 62 -15.644 -0.624 -13.753 1.00 0.00 O ATOM 958 CB ARG A 62 -17.957 -1.917 -15.851 1.00 0.00 C ATOM 959 CG ARG A 62 -18.497 -3.002 -16.768 1.00 0.00 C ATOM 960 CD ARG A 62 -19.807 -2.583 -17.415 1.00 0.00 C ATOM 961 NE ARG A 62 -20.483 -3.706 -18.060 1.00 0.00 N ATOM 962 CZ ARG A 62 -21.056 -4.701 -17.392 1.00 0.00 C ATOM 963 NH1 ARG A 62 -21.037 -4.711 -16.066 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.651 -5.687 -18.050 1.00 0.00 N ATOM 0 H ARG A 62 -17.715 -2.560 -13.341 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.099 -2.994 -15.767 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.714 -1.673 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.782 -1.014 -16.435 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.762 -3.225 -17.542 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.648 -3.919 -16.199 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.463 -2.151 -16.659 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.614 -1.804 -18.153 1.00 0.00 H new ATOM 0 HE ARG A 62 -20.517 -3.727 -19.079 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.582 -3.954 -15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.478 -5.476 -15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.669 -5.682 -19.070 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.091 -6.451 -17.536 1.00 0.00 H new ATOM 978 N THR A 63 -15.269 -0.503 -15.969 1.00 0.00 N ATOM 979 CA THR A 63 -14.433 0.687 -15.872 1.00 0.00 C ATOM 980 C THR A 63 -15.142 1.906 -16.450 1.00 0.00 C ATOM 981 O THR A 63 -16.112 1.776 -17.198 1.00 0.00 O ATOM 982 CB THR A 63 -13.092 0.491 -16.605 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.328 1.701 -16.559 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.321 0.085 -18.053 1.00 0.00 C ATOM 0 H THR A 63 -15.395 -0.854 -16.918 1.00 0.00 H new ATOM 0 HA THR A 63 -14.239 0.852 -14.812 1.00 0.00 H new ATOM 0 HB THR A 63 -12.542 -0.305 -16.104 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.325 2.051 -15.644 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.360 -0.048 -18.550 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.878 -0.851 -18.085 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.889 0.863 -18.563 1.00 0.00 H new ATOM 992 N LEU A 64 -14.652 3.090 -16.101 1.00 0.00 N ATOM 993 CA LEU A 64 -15.239 4.335 -16.586 1.00 0.00 C ATOM 994 C LEU A 64 -15.354 4.325 -18.107 1.00 0.00 C ATOM 995 O LEU A 64 -16.380 4.716 -18.664 1.00 0.00 O ATOM 996 CB LEU A 64 -14.397 5.529 -16.134 1.00 0.00 C ATOM 997 CG LEU A 64 -14.560 5.951 -14.674 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.302 6.646 -14.175 1.00 0.00 C ATOM 999 CD2 LEU A 64 -15.771 6.858 -14.513 1.00 0.00 C ATOM 0 H LEU A 64 -13.850 3.215 -15.484 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.240 4.425 -16.165 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.347 5.294 -16.308 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.642 6.382 -16.767 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.719 5.056 -14.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.437 6.939 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.455 5.965 -14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.112 7.533 -14.780 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.872 7.149 -13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.642 7.750 -15.127 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.668 6.326 -14.830 1.00 0.00 H new ATOM 1011 N SER A 65 -14.296 3.874 -18.773 1.00 0.00 N ATOM 1012 CA SER A 65 -14.278 3.815 -20.230 1.00 0.00 C ATOM 1013 C SER A 65 -15.411 2.937 -20.752 1.00 0.00 C ATOM 1014 O SER A 65 -15.960 3.188 -21.824 1.00 0.00 O ATOM 1015 CB SER A 65 -12.933 3.278 -20.723 1.00 0.00 C ATOM 1016 OG SER A 65 -13.020 2.842 -22.068 1.00 0.00 O ATOM 0 H SER A 65 -13.440 3.544 -18.327 1.00 0.00 H new ATOM 0 HA SER A 65 -14.420 4.826 -20.612 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.174 4.056 -20.638 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.614 2.451 -20.089 1.00 0.00 H new ATOM 0 HG SER A 65 -12.147 2.505 -22.360 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.756 1.908 -19.985 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.823 0.992 -20.370 1.00 0.00 C ATOM 1024 C GLU A 66 -18.191 1.640 -20.177 1.00 0.00 C ATOM 1025 O GLU A 66 -19.165 1.265 -20.831 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.738 -0.299 -19.554 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.767 -1.318 -20.126 1.00 0.00 C ATOM 1028 CD GLU A 66 -16.269 -1.942 -21.414 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.045 -1.347 -22.489 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -16.886 -3.026 -21.346 1.00 0.00 O ATOM 0 H GLU A 66 -15.312 1.688 -19.093 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.698 0.753 -21.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.437 -0.056 -18.535 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.730 -0.748 -19.495 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.807 -0.836 -20.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.594 -2.103 -19.390 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.257 2.613 -19.275 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.506 3.311 -18.993 1.00 0.00 C ATOM 1039 C TYR A 67 -19.648 4.549 -19.873 1.00 0.00 C ATOM 1040 O TYR A 67 -20.504 5.399 -19.633 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.569 3.709 -17.518 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.805 2.543 -16.585 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.034 1.896 -16.548 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.800 2.089 -15.740 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.255 0.830 -15.697 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.011 1.023 -14.887 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.240 0.397 -14.869 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.455 -0.664 -14.019 1.00 0.00 O ATOM 0 H TYR A 67 -17.460 2.936 -18.726 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.331 2.634 -19.215 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.636 4.200 -17.243 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.366 4.440 -17.381 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.830 2.232 -17.196 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.837 2.578 -15.750 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.217 0.339 -15.680 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.218 0.682 -14.238 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.005 -0.496 -13.165 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.803 4.642 -20.894 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.834 5.775 -21.811 1.00 0.00 C ATOM 1060 C ASN A 68 -18.576 7.083 -21.069 1.00 0.00 C ATOM 1061 O ASN A 68 -18.980 8.155 -21.521 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.183 5.841 -22.530 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.644 4.481 -23.020 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.540 3.870 -22.438 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -20.030 4.001 -24.095 1.00 0.00 N ATOM 0 H ASN A 68 -18.088 3.946 -21.107 1.00 0.00 H new ATOM 0 HA ASN A 68 -18.044 5.634 -22.549 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.932 6.254 -21.854 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.107 6.523 -23.377 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.296 3.091 -24.470 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.292 4.543 -24.545 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.902 6.986 -19.928 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.589 8.161 -19.124 1.00 0.00 C ATOM 1074 C ILE A 69 -16.271 8.791 -19.561 1.00 0.00 C ATOM 1075 O ILE A 69 -15.206 8.194 -19.409 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.507 7.812 -17.626 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.769 7.070 -17.182 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.308 9.074 -16.799 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.696 6.548 -15.765 1.00 0.00 C ATOM 0 H ILE A 69 -17.562 6.106 -19.540 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.398 8.874 -19.279 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.650 7.158 -17.467 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.624 7.740 -17.270 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -18.947 6.235 -17.859 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.252 8.812 -15.743 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.383 9.565 -17.101 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.147 9.751 -16.961 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.625 6.033 -15.519 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.861 5.853 -15.676 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.549 7.381 -15.077 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.352 10.003 -20.102 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.165 10.715 -20.560 1.00 0.00 C ATOM 1093 C GLN A 70 -14.859 11.903 -19.654 1.00 0.00 C ATOM 1094 O GLN A 70 -15.440 12.042 -18.577 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.355 11.192 -22.001 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.818 10.098 -22.949 1.00 0.00 C ATOM 1097 CD GLN A 70 -15.519 10.418 -24.400 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -14.565 9.896 -24.979 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -16.334 11.280 -24.997 1.00 0.00 N ATOM 0 H GLN A 70 -17.226 10.512 -20.234 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.321 10.026 -20.521 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.083 12.003 -22.013 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.414 11.603 -22.366 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.332 9.160 -22.680 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.891 9.947 -22.828 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.112 11.688 -24.479 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.182 11.534 -25.973 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.944 12.758 -20.097 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.560 13.935 -19.327 1.00 0.00 C ATOM 1110 C LYS A 71 -14.643 15.008 -19.399 1.00 0.00 C ATOM 1111 O LYS A 71 -14.553 16.038 -18.731 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.234 14.498 -19.844 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.324 15.076 -21.246 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.537 14.242 -22.244 1.00 0.00 C ATOM 1115 CE LYS A 71 -10.283 14.966 -22.709 1.00 0.00 C ATOM 1116 NZ LYS A 71 -9.180 14.017 -23.026 1.00 0.00 N ATOM 0 H LYS A 71 -13.454 12.658 -20.986 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.438 13.635 -18.286 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.888 15.274 -19.162 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.484 13.707 -19.834 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.368 15.125 -21.554 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.944 16.098 -21.245 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.261 13.291 -21.788 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.166 14.013 -23.104 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.514 15.562 -23.592 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.955 15.658 -21.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.343 14.549 -23.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.942 13.466 -22.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.484 13.372 -23.784 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.665 14.758 -20.211 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.764 15.703 -20.368 1.00 0.00 C ATOM 1132 C GLU A 72 -18.103 15.034 -20.073 1.00 0.00 C ATOM 1133 O GLU A 72 -19.148 15.476 -20.550 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.771 16.281 -21.785 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.563 15.237 -22.869 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.661 15.819 -24.266 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.995 16.842 -24.531 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -17.404 15.251 -25.094 1.00 0.00 O ATOM 0 H GLU A 72 -15.755 13.910 -20.770 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.617 16.513 -19.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.721 16.787 -21.957 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.989 17.036 -21.864 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.584 14.775 -22.740 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.306 14.448 -22.755 1.00 0.00 H new ATOM 1145 N SER A 73 -18.063 13.965 -19.285 1.00 0.00 N ATOM 1146 CA SER A 73 -19.272 13.231 -18.930 1.00 0.00 C ATOM 1147 C SER A 73 -19.930 13.834 -17.692 1.00 0.00 C ATOM 1148 O SER A 73 -19.260 14.425 -16.844 1.00 0.00 O ATOM 1149 CB SER A 73 -18.945 11.757 -18.680 1.00 0.00 C ATOM 1150 OG SER A 73 -18.902 11.032 -19.897 1.00 0.00 O ATOM 0 H SER A 73 -17.206 13.588 -18.880 1.00 0.00 H new ATOM 0 HA SER A 73 -19.970 13.305 -19.764 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.985 11.675 -18.170 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.695 11.322 -18.020 1.00 0.00 H new ATOM 0 HG SER A 73 -18.632 11.630 -20.625 1.00 0.00 H new ATOM 1156 N THR A 74 -21.247 13.680 -17.595 1.00 0.00 N ATOM 1157 CA THR A 74 -21.997 14.210 -16.463 1.00 0.00 C ATOM 1158 C THR A 74 -22.361 13.104 -15.480 1.00 0.00 C ATOM 1159 O THR A 74 -23.143 12.207 -15.799 1.00 0.00 O ATOM 1160 CB THR A 74 -23.285 14.916 -16.924 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.123 15.409 -18.259 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.634 16.067 -15.993 1.00 0.00 C ATOM 0 H THR A 74 -21.816 13.192 -18.287 1.00 0.00 H new ATOM 0 HA THR A 74 -21.352 14.935 -15.967 1.00 0.00 H new ATOM 0 HB THR A 74 -24.098 14.191 -16.901 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.947 15.855 -18.545 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.548 16.551 -16.339 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.785 15.685 -14.983 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.819 16.791 -15.989 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.791 13.173 -14.282 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.057 12.177 -13.249 1.00 0.00 C ATOM 1172 C LEU A 75 -23.027 12.720 -12.205 1.00 0.00 C ATOM 1173 O LEU A 75 -23.045 13.919 -11.924 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.751 11.750 -12.576 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.203 10.381 -12.982 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.163 9.277 -12.566 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -19.948 10.332 -14.481 1.00 0.00 C ATOM 0 H LEU A 75 -21.142 13.908 -14.002 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.514 11.309 -13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.992 12.502 -12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.904 11.752 -11.497 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.255 10.223 -12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.756 8.310 -12.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.295 9.298 -11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.126 9.430 -13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.558 9.351 -14.752 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.881 10.512 -15.015 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.222 11.098 -14.752 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.830 11.830 -11.631 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.801 12.220 -10.615 1.00 0.00 C ATOM 1191 C HIS A 76 -24.707 11.308 -9.395 1.00 0.00 C ATOM 1192 O HIS A 76 -24.665 10.084 -9.525 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.217 12.178 -11.190 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.612 13.436 -11.902 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.712 14.188 -11.547 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.045 14.073 -12.953 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.806 15.233 -12.350 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -26.806 15.186 -13.212 1.00 0.00 N ATOM 0 H HIS A 76 -23.828 10.834 -11.852 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.574 13.239 -10.303 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.295 11.339 -11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.923 11.991 -10.381 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -25.159 13.764 -13.488 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.570 15.995 -12.309 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -26.628 15.867 -13.951 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.674 11.912 -8.212 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.584 11.154 -6.969 1.00 0.00 C ATOM 1208 C LEU A 77 -25.907 11.194 -6.211 1.00 0.00 C ATOM 1209 O LEU A 77 -26.355 12.255 -5.777 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.462 11.709 -6.090 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.533 13.204 -5.777 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -24.038 13.429 -4.360 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.170 13.854 -5.969 1.00 0.00 C ATOM 0 H LEU A 77 -24.708 12.924 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.361 10.117 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.460 11.160 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.510 11.505 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.236 13.668 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -24.082 14.499 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -25.034 12.998 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -23.360 12.951 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.239 14.918 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.447 13.387 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.847 13.724 -7.002 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.528 10.029 -6.051 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.798 9.930 -5.342 1.00 0.00 C ATOM 1227 C VAL A 78 -27.637 9.165 -4.033 1.00 0.00 C ATOM 1228 O VAL A 78 -26.913 8.170 -3.967 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.869 9.234 -6.203 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.364 10.168 -7.296 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.319 7.946 -6.798 1.00 0.00 C ATOM 0 H VAL A 78 -26.172 9.141 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.122 10.948 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.716 8.980 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -30.120 9.660 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.798 11.059 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.529 10.456 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -29.089 7.467 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.455 8.174 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -28.018 7.273 -5.995 1.00 0.00 H new ATOM 1241 N LEU A 79 -28.318 9.634 -2.993 1.00 0.00 N ATOM 1242 CA LEU A 79 -28.252 8.994 -1.684 1.00 0.00 C ATOM 1243 C LEU A 79 -29.467 8.100 -1.453 1.00 0.00 C ATOM 1244 O LEU A 79 -30.598 8.482 -1.755 1.00 0.00 O ATOM 1245 CB LEU A 79 -28.166 10.050 -0.581 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.919 10.935 -0.596 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -27.028 12.029 0.455 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.668 10.098 -0.370 1.00 0.00 C ATOM 0 H LEU A 79 -28.922 10.455 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.356 8.374 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -29.044 10.692 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.217 9.544 0.383 1.00 0.00 H new ATOM 0 HG LEU A 79 -26.844 11.407 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -26.132 12.649 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -27.902 12.647 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -27.129 11.577 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.790 10.744 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.735 9.597 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.582 9.352 -1.160 1.00 0.00 H new