USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.67) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.0316 USER MOD Set 2.2: C 21 THR OG1 : rot -70:sc= 0.0303 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0408 K(o=-0.031,f=-1.1!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0.00959 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.0364 USER MOD Set 4.2: A 21 THR OG1 : rot -69:sc= 0.0383 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0117) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.00461 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.276) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.959 X(o=-0.96,f=-0.7) USER MOD Single : A 29 GLN : amide:sc= -0.045 K(o=-0.045,f=-0.57) USER MOD Single : A 35 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.04) USER MOD Single : A 43 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.945 K(o=0.94,f=0) USER MOD Single : C 1 MET CE :methyl 172:sc=-0.00119 (180deg=-0.042) USER MOD Single : C 1 MET N :NH3+ 139:sc= 0.00545 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= -0.0498 (180deg=-0.345) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.54) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : C 35 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ 140:sc= -0.715 (180deg=-2.72!) USER MOD Single : C 43 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.951 3.027 -1.645 1.00 0.00 N ATOM 2 CA MET A 1 -11.898 2.423 -0.809 1.00 0.00 C ATOM 3 C MET A 1 -11.941 0.907 -0.906 1.00 0.00 C ATOM 4 O MET A 1 -13.016 0.326 -0.823 1.00 0.00 O ATOM 5 CB MET A 1 -12.068 2.816 0.661 1.00 0.00 C ATOM 6 CG MET A 1 -10.978 2.184 1.532 1.00 0.00 C ATOM 7 SD MET A 1 -9.363 2.975 1.408 1.00 0.00 S ATOM 8 CE MET A 1 -9.696 4.351 2.536 1.00 0.00 C ATOM 0 H1 MET A 1 -13.373 3.834 -1.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.537 3.355 -2.541 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.687 2.319 -1.842 1.00 0.00 H new ATOM 0 HA MET A 1 -10.942 2.794 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.030 3.901 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.049 2.499 1.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.302 2.211 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.875 1.134 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.785 4.932 2.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.471 4.990 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.033 3.961 3.497 1.00 0.00 H new ATOM 20 N LEU A 2 -10.780 0.272 -1.076 1.00 0.00 N ATOM 21 CA LEU A 2 -10.665 -1.174 -1.044 1.00 0.00 C ATOM 22 C LEU A 2 -9.532 -1.498 -0.070 1.00 0.00 C ATOM 23 O LEU A 2 -8.364 -1.267 -0.375 1.00 0.00 O ATOM 24 CB LEU A 2 -10.420 -1.676 -2.472 1.00 0.00 C ATOM 25 CG LEU A 2 -10.497 -3.197 -2.670 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.091 -3.772 -2.730 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.259 -3.935 -1.570 1.00 0.00 C ATOM 0 H LEU A 2 -9.896 0.753 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.568 -1.676 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.149 -1.206 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.435 -1.337 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.045 -3.346 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.145 -4.852 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.550 -3.324 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.568 -3.553 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.266 -5.003 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.771 -3.762 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.284 -3.566 -1.527 1.00 0.00 H new ATOM 39 N ILE A 3 -9.893 -2.031 1.102 1.00 0.00 N ATOM 40 CA ILE A 3 -8.945 -2.373 2.149 1.00 0.00 C ATOM 41 C ILE A 3 -8.373 -3.757 1.879 1.00 0.00 C ATOM 42 O ILE A 3 -9.072 -4.637 1.380 1.00 0.00 O ATOM 43 CB ILE A 3 -9.623 -2.382 3.530 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.038 -0.978 3.975 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.628 -2.898 4.576 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.431 -0.608 3.487 1.00 0.00 C ATOM 0 H ILE A 3 -10.862 -2.236 1.345 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.154 -1.623 2.149 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.506 -3.015 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.009 -0.920 5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.318 -0.252 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.103 -2.907 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.317 -3.909 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.755 -2.245 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.681 0.397 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.455 -0.638 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.156 -1.317 3.886 1.00 0.00 H new ATOM 58 N LEU A 4 -7.096 -3.940 2.221 1.00 0.00 N ATOM 59 CA LEU A 4 -6.411 -5.217 2.138 1.00 0.00 C ATOM 60 C LEU A 4 -5.455 -5.312 3.323 1.00 0.00 C ATOM 61 O LEU A 4 -4.744 -4.353 3.623 1.00 0.00 O ATOM 62 CB LEU A 4 -5.625 -5.299 0.822 1.00 0.00 C ATOM 63 CG LEU A 4 -6.520 -5.288 -0.423 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.656 -5.202 -1.677 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.376 -6.551 -0.503 1.00 0.00 C ATOM 0 H LEU A 4 -6.504 -3.186 2.569 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.127 -6.038 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.931 -4.460 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.025 -6.209 0.821 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.178 -4.421 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.296 -5.194 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.065 -4.287 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.989 -6.063 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.999 -6.512 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.729 -7.427 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.012 -6.616 0.380 1.00 0.00 H new ATOM 77 N THR A 5 -5.435 -6.462 3.998 1.00 0.00 N ATOM 78 CA THR A 5 -4.499 -6.698 5.089 1.00 0.00 C ATOM 79 C THR A 5 -3.294 -7.441 4.544 1.00 0.00 C ATOM 80 O THR A 5 -3.416 -8.276 3.651 1.00 0.00 O ATOM 81 CB THR A 5 -5.153 -7.509 6.213 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.767 -8.664 5.689 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.207 -6.672 6.924 1.00 0.00 C ATOM 0 H THR A 5 -6.060 -7.245 3.805 1.00 0.00 H new ATOM 0 HA THR A 5 -4.192 -5.740 5.508 1.00 0.00 H new ATOM 0 HB THR A 5 -4.375 -7.797 6.921 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.179 -9.174 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.663 -7.261 7.720 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.740 -5.785 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.974 -6.370 6.211 1.00 0.00 H new ATOM 91 N ARG A 6 -2.119 -7.127 5.091 1.00 0.00 N ATOM 92 CA ARG A 6 -0.872 -7.782 4.727 1.00 0.00 C ATOM 93 C ARG A 6 -0.024 -7.929 5.979 1.00 0.00 C ATOM 94 O ARG A 6 -0.289 -7.270 6.981 1.00 0.00 O ATOM 95 CB ARG A 6 -0.108 -6.941 3.697 1.00 0.00 C ATOM 96 CG ARG A 6 -0.789 -6.813 2.332 1.00 0.00 C ATOM 97 CD ARG A 6 -0.628 -8.049 1.440 1.00 0.00 C ATOM 98 NE ARG A 6 -1.339 -9.220 1.956 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.360 -10.404 1.338 1.00 0.00 C ATOM 100 NH1 ARG A 6 -0.757 -10.568 0.161 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.987 -11.438 1.894 1.00 0.00 N ATOM 0 H ARG A 6 -2.010 -6.405 5.804 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.087 -8.758 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.043 -5.942 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.880 -7.379 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.851 -6.622 2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.380 -5.946 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.995 -7.819 0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.432 -8.286 1.344 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.846 -9.127 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.273 -9.785 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.780 -11.477 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.453 -11.328 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.001 -12.341 1.420 1.00 0.00 H new ATOM 115 N LYS A 7 0.991 -8.787 5.920 1.00 0.00 N ATOM 116 CA LYS A 7 1.954 -8.966 7.000 1.00 0.00 C ATOM 117 C LYS A 7 3.287 -8.451 6.478 1.00 0.00 C ATOM 118 O LYS A 7 3.500 -8.450 5.266 1.00 0.00 O ATOM 119 CB LYS A 7 2.038 -10.453 7.379 1.00 0.00 C ATOM 120 CG LYS A 7 2.115 -10.720 8.884 1.00 0.00 C ATOM 121 CD LYS A 7 0.781 -10.436 9.576 1.00 0.00 C ATOM 122 CE LYS A 7 0.817 -10.873 11.041 1.00 0.00 C ATOM 123 NZ LYS A 7 0.938 -12.337 11.170 1.00 0.00 N ATOM 0 H LYS A 7 1.169 -9.383 5.112 1.00 0.00 H new ATOM 0 HA LYS A 7 1.664 -8.422 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.166 -10.968 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.915 -10.888 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.401 -11.758 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.894 -10.098 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.556 -9.371 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.021 -10.961 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.656 -10.393 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.090 -10.537 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.674 -12.624 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.306 -12.799 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.920 -12.622 10.981 1.00 0.00 H new ATOM 137 N VAL A 8 4.189 -8.012 7.358 1.00 0.00 N ATOM 138 CA VAL A 8 5.458 -7.453 6.905 1.00 0.00 C ATOM 139 C VAL A 8 6.188 -8.443 5.993 1.00 0.00 C ATOM 140 O VAL A 8 6.615 -9.511 6.431 1.00 0.00 O ATOM 141 CB VAL A 8 6.315 -6.975 8.086 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.555 -5.889 8.853 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.685 -8.073 9.078 1.00 0.00 C ATOM 0 H VAL A 8 4.066 -8.033 8.370 1.00 0.00 H new ATOM 0 HA VAL A 8 5.254 -6.565 6.307 1.00 0.00 H new ATOM 0 HB VAL A 8 7.243 -6.607 7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.159 -5.546 9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.349 -5.050 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.615 -6.296 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.290 -7.650 9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.777 -8.505 9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.253 -8.850 8.566 1.00 0.00 H new ATOM 153 N GLY A 9 6.330 -8.071 4.717 1.00 0.00 N ATOM 154 CA GLY A 9 7.027 -8.863 3.712 1.00 0.00 C ATOM 155 C GLY A 9 6.133 -9.227 2.527 1.00 0.00 C ATOM 156 O GLY A 9 6.642 -9.594 1.467 1.00 0.00 O ATOM 0 H GLY A 9 5.956 -7.195 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.892 -8.306 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.404 -9.776 4.172 1.00 0.00 H new ATOM 160 N GLU A 10 4.809 -9.126 2.683 1.00 0.00 N ATOM 161 CA GLU A 10 3.863 -9.478 1.628 1.00 0.00 C ATOM 162 C GLU A 10 3.706 -8.345 0.609 1.00 0.00 C ATOM 163 O GLU A 10 4.351 -7.302 0.725 1.00 0.00 O ATOM 164 CB GLU A 10 2.515 -9.858 2.245 1.00 0.00 C ATOM 165 CG GLU A 10 2.666 -11.097 3.131 1.00 0.00 C ATOM 166 CD GLU A 10 1.308 -11.609 3.611 1.00 0.00 C ATOM 167 OE1 GLU A 10 0.493 -10.763 4.042 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.097 -12.840 3.540 1.00 0.00 O ATOM 0 H GLU A 10 4.368 -8.799 3.542 1.00 0.00 H new ATOM 0 HA GLU A 10 4.257 -10.338 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.130 -9.026 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.788 -10.053 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.177 -11.883 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.291 -10.857 3.991 1.00 0.00 H new ATOM 175 N SER A 11 2.838 -8.548 -0.391 1.00 0.00 N ATOM 176 CA SER A 11 2.680 -7.609 -1.499 1.00 0.00 C ATOM 177 C SER A 11 1.232 -7.478 -1.965 1.00 0.00 C ATOM 178 O SER A 11 0.369 -8.267 -1.578 1.00 0.00 O ATOM 179 CB SER A 11 3.555 -8.062 -2.672 1.00 0.00 C ATOM 180 OG SER A 11 4.916 -8.028 -2.306 1.00 0.00 O ATOM 0 H SER A 11 2.230 -9.365 -0.451 1.00 0.00 H new ATOM 0 HA SER A 11 2.990 -6.628 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.277 -9.072 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.386 -7.415 -3.532 1.00 0.00 H new ATOM 0 HG SER A 11 5.466 -8.321 -3.063 1.00 0.00 H new ATOM 186 N ILE A 12 0.988 -6.467 -2.806 1.00 0.00 N ATOM 187 CA ILE A 12 -0.314 -6.111 -3.370 1.00 0.00 C ATOM 188 C ILE A 12 -0.075 -5.624 -4.805 1.00 0.00 C ATOM 189 O ILE A 12 1.066 -5.349 -5.172 1.00 0.00 O ATOM 190 CB ILE A 12 -0.977 -5.026 -2.491 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.116 -5.517 -1.042 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.350 -4.617 -3.028 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.794 -4.487 -0.133 1.00 0.00 C ATOM 0 H ILE A 12 1.731 -5.846 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.992 -6.964 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.328 -4.151 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.692 -6.442 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.128 -5.751 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.781 -3.853 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.242 -4.219 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.006 -5.487 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.866 -4.886 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.205 -3.570 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.794 -4.271 -0.510 1.00 0.00 H new ATOM 205 N ASN A 13 -1.121 -5.508 -5.631 1.00 0.00 N ATOM 206 CA ASN A 13 -0.986 -5.112 -7.025 1.00 0.00 C ATOM 207 C ASN A 13 -2.063 -4.111 -7.447 1.00 0.00 C ATOM 208 O ASN A 13 -3.156 -4.075 -6.884 1.00 0.00 O ATOM 209 CB ASN A 13 -1.051 -6.357 -7.910 1.00 0.00 C ATOM 210 CG ASN A 13 0.316 -7.006 -8.028 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.602 -8.003 -7.372 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.174 -6.443 -8.874 1.00 0.00 N ATOM 0 H ASN A 13 -2.083 -5.688 -5.345 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.023 -4.616 -7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.762 -7.069 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.417 -6.086 -8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.106 -6.840 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.900 -5.615 -9.402 1.00 0.00 H new ATOM 219 N ILE A 14 -1.728 -3.301 -8.455 1.00 0.00 N ATOM 220 CA ILE A 14 -2.609 -2.271 -8.993 1.00 0.00 C ATOM 221 C ILE A 14 -2.410 -2.205 -10.506 1.00 0.00 C ATOM 222 O ILE A 14 -1.297 -2.378 -11.005 1.00 0.00 O ATOM 223 CB ILE A 14 -2.288 -0.912 -8.346 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.410 -0.997 -6.816 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.232 0.163 -8.895 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.074 0.325 -6.122 1.00 0.00 C ATOM 0 H ILE A 14 -0.823 -3.346 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.648 -2.513 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.261 -0.643 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.425 -1.293 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.744 -1.777 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.999 1.122 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.106 0.241 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.263 -0.108 -8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.177 0.206 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.049 0.610 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.756 1.101 -6.468 1.00 0.00 H new ATOM 238 N GLY A 15 -3.498 -1.950 -11.239 1.00 0.00 N ATOM 239 CA GLY A 15 -3.459 -1.876 -12.688 1.00 0.00 C ATOM 240 C GLY A 15 -2.873 -3.159 -13.267 1.00 0.00 C ATOM 241 O GLY A 15 -3.149 -4.255 -12.780 1.00 0.00 O ATOM 0 H GLY A 15 -4.423 -1.791 -10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.465 -1.719 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.859 -1.021 -12.999 1.00 0.00 H new ATOM 245 N ASP A 16 -2.058 -3.012 -14.312 1.00 0.00 N ATOM 246 CA ASP A 16 -1.373 -4.123 -14.958 1.00 0.00 C ATOM 247 C ASP A 16 0.115 -3.801 -15.093 1.00 0.00 C ATOM 248 O ASP A 16 0.845 -4.511 -15.782 1.00 0.00 O ATOM 249 CB ASP A 16 -2.007 -4.394 -16.323 1.00 0.00 C ATOM 250 CG ASP A 16 -3.469 -4.815 -16.183 1.00 0.00 C ATOM 251 OD1 ASP A 16 -3.704 -6.015 -15.912 1.00 0.00 O ATOM 252 OD2 ASP A 16 -4.342 -3.935 -16.355 1.00 0.00 O ATOM 0 H ASP A 16 -1.855 -2.107 -14.736 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.473 -5.023 -14.351 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.942 -3.498 -16.941 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.449 -5.177 -16.837 1.00 0.00 H new ATOM 257 N ASP A 17 0.561 -2.728 -14.433 1.00 0.00 N ATOM 258 CA ASP A 17 1.931 -2.246 -14.519 1.00 0.00 C ATOM 259 C ASP A 17 2.448 -1.761 -13.162 1.00 0.00 C ATOM 260 O ASP A 17 3.530 -1.175 -13.109 1.00 0.00 O ATOM 261 CB ASP A 17 2.006 -1.114 -15.551 1.00 0.00 C ATOM 262 CG ASP A 17 1.631 -1.592 -16.950 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.515 -2.185 -17.609 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.468 -1.362 -17.350 1.00 0.00 O ATOM 0 H ASP A 17 -0.030 -2.168 -13.819 1.00 0.00 H new ATOM 0 HA ASP A 17 2.567 -3.075 -14.831 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.338 -0.306 -15.252 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.016 -0.703 -15.566 1.00 0.00 H new ATOM 269 N ILE A 18 1.712 -1.989 -12.067 1.00 0.00 N ATOM 270 CA ILE A 18 2.158 -1.546 -10.752 1.00 0.00 C ATOM 271 C ILE A 18 2.068 -2.681 -9.735 1.00 0.00 C ATOM 272 O ILE A 18 1.173 -3.525 -9.785 1.00 0.00 O ATOM 273 CB ILE A 18 1.344 -0.327 -10.288 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.444 0.852 -11.269 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.848 0.150 -8.923 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.323 0.808 -12.311 1.00 0.00 C ATOM 0 H ILE A 18 0.814 -2.473 -12.070 1.00 0.00 H new ATOM 0 HA ILE A 18 3.204 -1.248 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 18 0.304 -0.649 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.394 1.791 -10.718 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.411 0.828 -11.771 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.266 1.014 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.739 -0.653 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.899 0.429 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.423 1.656 -12.989 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.390 -0.120 -12.878 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.643 0.857 -11.808 1.00 0.00 H new ATOM 288 N THR A 19 3.015 -2.683 -8.795 1.00 0.00 N ATOM 289 CA THR A 19 3.067 -3.631 -7.692 1.00 0.00 C ATOM 290 C THR A 19 3.428 -2.863 -6.429 1.00 0.00 C ATOM 291 O THR A 19 4.046 -1.805 -6.503 1.00 0.00 O ATOM 292 CB THR A 19 4.100 -4.723 -7.986 1.00 0.00 C ATOM 293 OG1 THR A 19 3.827 -5.330 -9.231 1.00 0.00 O ATOM 294 CG2 THR A 19 4.098 -5.815 -6.917 1.00 0.00 C ATOM 0 H THR A 19 3.781 -2.010 -8.783 1.00 0.00 H new ATOM 0 HA THR A 19 2.102 -4.119 -7.560 1.00 0.00 H new ATOM 0 HB THR A 19 5.076 -4.238 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.494 -6.025 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.845 -6.569 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.334 -5.376 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.113 -6.281 -6.874 1.00 0.00 H new ATOM 302 N ILE A 20 3.043 -3.399 -5.271 1.00 0.00 N ATOM 303 CA ILE A 20 3.244 -2.765 -3.975 1.00 0.00 C ATOM 304 C ILE A 20 3.783 -3.819 -3.016 1.00 0.00 C ATOM 305 O ILE A 20 3.460 -4.998 -3.147 1.00 0.00 O ATOM 306 CB ILE A 20 1.900 -2.225 -3.457 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.211 -1.277 -4.448 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.085 -1.522 -2.105 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.966 0.038 -4.641 1.00 0.00 C ATOM 0 H ILE A 20 2.574 -4.303 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 20 3.947 -1.936 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 20 1.249 -3.091 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.112 -1.777 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.202 -1.062 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.123 -1.147 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.484 -2.230 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.779 -0.689 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.429 0.665 -5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.043 0.557 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.966 -0.169 -5.022 1.00 0.00 H new ATOM 321 N THR A 21 4.602 -3.401 -2.050 1.00 0.00 N ATOM 322 CA THR A 21 5.171 -4.305 -1.062 1.00 0.00 C ATOM 323 C THR A 21 5.202 -3.600 0.286 1.00 0.00 C ATOM 324 O THR A 21 5.326 -2.378 0.338 1.00 0.00 O ATOM 325 CB THR A 21 6.585 -4.707 -1.501 1.00 0.00 C ATOM 326 OG1 THR A 21 6.551 -5.248 -2.802 1.00 0.00 O ATOM 327 CG2 THR A 21 7.196 -5.752 -0.569 1.00 0.00 C ATOM 0 H THR A 21 4.886 -2.428 -1.935 1.00 0.00 H new ATOM 0 HA THR A 21 4.566 -5.208 -0.975 1.00 0.00 H new ATOM 0 HB THR A 21 7.196 -3.805 -1.471 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.090 -6.113 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.197 -6.008 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.255 -5.348 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.573 -6.646 -0.567 1.00 0.00 H new ATOM 335 N ILE A 22 5.093 -4.361 1.380 1.00 0.00 N ATOM 336 CA ILE A 22 5.116 -3.800 2.721 1.00 0.00 C ATOM 337 C ILE A 22 6.391 -4.280 3.415 1.00 0.00 C ATOM 338 O ILE A 22 6.431 -5.353 4.015 1.00 0.00 O ATOM 339 CB ILE A 22 3.778 -4.100 3.423 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.542 -3.207 4.647 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.587 -5.574 3.789 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.659 -3.267 5.687 1.00 0.00 C ATOM 0 H ILE A 22 4.987 -5.375 1.354 1.00 0.00 H new ATOM 0 HA ILE A 22 5.177 -2.712 2.737 1.00 0.00 H new ATOM 0 HB ILE A 22 3.021 -3.861 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.425 -2.176 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.604 -3.497 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.622 -5.705 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.620 -6.181 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.383 -5.887 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.416 -2.608 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.763 -4.289 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.597 -2.947 5.233 1.00 0.00 H new ATOM 354 N LEU A 23 7.446 -3.466 3.327 1.00 0.00 N ATOM 355 CA LEU A 23 8.779 -3.845 3.783 1.00 0.00 C ATOM 356 C LEU A 23 8.830 -4.069 5.291 1.00 0.00 C ATOM 357 O LEU A 23 9.633 -4.878 5.754 1.00 0.00 O ATOM 358 CB LEU A 23 9.784 -2.762 3.377 1.00 0.00 C ATOM 359 CG LEU A 23 9.706 -2.390 1.896 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.765 -1.336 1.592 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.960 -3.592 0.989 1.00 0.00 C ATOM 0 H LEU A 23 7.396 -2.525 2.937 1.00 0.00 H new ATOM 0 HA LEU A 23 9.038 -4.791 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.609 -1.870 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.792 -3.108 3.605 1.00 0.00 H new ATOM 0 HG LEU A 23 8.701 -2.016 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.716 -1.065 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.584 -0.452 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.753 -1.737 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.895 -3.281 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.954 -3.993 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.213 -4.361 1.186 1.00 0.00 H new ATOM 373 N GLY A 24 7.993 -3.370 6.068 1.00 0.00 N ATOM 374 CA GLY A 24 7.933 -3.587 7.510 1.00 0.00 C ATOM 375 C GLY A 24 7.373 -2.391 8.273 1.00 0.00 C ATOM 376 O GLY A 24 6.843 -1.460 7.676 1.00 0.00 O ATOM 0 H GLY A 24 7.354 -2.655 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.316 -4.462 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.934 -3.810 7.880 1.00 0.00 H new ATOM 380 N VAL A 25 7.493 -2.422 9.604 1.00 0.00 N ATOM 381 CA VAL A 25 7.035 -1.335 10.464 1.00 0.00 C ATOM 382 C VAL A 25 8.100 -1.012 11.506 1.00 0.00 C ATOM 383 O VAL A 25 9.011 -1.806 11.752 1.00 0.00 O ATOM 384 CB VAL A 25 5.704 -1.676 11.159 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.683 -2.227 10.165 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.897 -2.697 12.280 1.00 0.00 C ATOM 0 H VAL A 25 7.910 -3.202 10.112 1.00 0.00 H new ATOM 0 HA VAL A 25 6.864 -0.463 9.833 1.00 0.00 H new ATOM 0 HB VAL A 25 5.332 -0.744 11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.755 -2.458 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.489 -1.483 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.076 -3.134 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.935 -2.912 12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.314 -3.616 11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.580 -2.292 13.027 1.00 0.00 H new ATOM 396 N SER A 26 7.973 0.163 12.119 1.00 0.00 N ATOM 397 CA SER A 26 8.845 0.611 13.193 1.00 0.00 C ATOM 398 C SER A 26 8.046 1.584 14.053 1.00 0.00 C ATOM 399 O SER A 26 7.979 2.776 13.770 1.00 0.00 O ATOM 400 CB SER A 26 10.115 1.250 12.619 1.00 0.00 C ATOM 401 OG SER A 26 9.804 2.199 11.620 1.00 0.00 O ATOM 0 H SER A 26 7.248 0.839 11.877 1.00 0.00 H new ATOM 0 HA SER A 26 9.176 -0.226 13.808 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.676 1.732 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.758 0.475 12.201 1.00 0.00 H new ATOM 0 HG SER A 26 10.632 2.592 11.273 1.00 0.00 H new ATOM 407 N GLY A 27 7.430 1.067 15.114 1.00 0.00 N ATOM 408 CA GLY A 27 6.485 1.853 15.885 1.00 0.00 C ATOM 409 C GLY A 27 5.212 2.004 15.068 1.00 0.00 C ATOM 410 O GLY A 27 4.600 1.008 14.686 1.00 0.00 O ATOM 0 H GLY A 27 7.570 0.115 15.453 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.271 1.364 16.835 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.905 2.831 16.118 1.00 0.00 H new ATOM 414 N GLN A 28 4.814 3.248 14.799 1.00 0.00 N ATOM 415 CA GLN A 28 3.618 3.533 14.018 1.00 0.00 C ATOM 416 C GLN A 28 4.000 3.865 12.584 1.00 0.00 C ATOM 417 O GLN A 28 3.127 4.174 11.773 1.00 0.00 O ATOM 418 CB GLN A 28 2.825 4.661 14.681 1.00 0.00 C ATOM 419 CG GLN A 28 1.837 4.097 15.707 1.00 0.00 C ATOM 420 CD GLN A 28 2.454 2.971 16.535 1.00 0.00 C ATOM 421 OE1 GLN A 28 3.189 3.216 17.489 1.00 0.00 O ATOM 422 NE2 GLN A 28 2.153 1.729 16.165 1.00 0.00 N ATOM 0 H GLN A 28 5.311 4.080 15.116 1.00 0.00 H new ATOM 0 HA GLN A 28 2.976 2.653 13.987 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.509 5.354 15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.285 5.228 13.922 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.507 4.896 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.952 3.725 15.192 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.539 1.569 15.367 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.537 0.936 16.680 1.00 0.00 H new ATOM 431 N GLN A 29 5.297 3.804 12.272 1.00 0.00 N ATOM 432 CA GLN A 29 5.754 3.944 10.905 1.00 0.00 C ATOM 433 C GLN A 29 5.547 2.639 10.151 1.00 0.00 C ATOM 434 O GLN A 29 5.404 1.574 10.752 1.00 0.00 O ATOM 435 CB GLN A 29 7.242 4.272 10.841 1.00 0.00 C ATOM 436 CG GLN A 29 7.508 5.768 10.934 1.00 0.00 C ATOM 437 CD GLN A 29 8.910 6.055 10.430 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.082 6.636 9.366 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.923 5.651 11.190 1.00 0.00 N ATOM 0 H GLN A 29 6.042 3.658 12.954 1.00 0.00 H new ATOM 0 HA GLN A 29 5.179 4.755 10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.760 3.762 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.657 3.889 9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.776 6.318 10.342 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.403 6.105 11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.740 5.170 12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.884 5.822 10.893 1.00 0.00 H new ATOM 448 N VAL A 30 5.532 2.744 8.824 1.00 0.00 N ATOM 449 CA VAL A 30 5.449 1.606 7.934 1.00 0.00 C ATOM 450 C VAL A 30 6.338 1.894 6.731 1.00 0.00 C ATOM 451 O VAL A 30 6.115 2.881 6.028 1.00 0.00 O ATOM 452 CB VAL A 30 3.998 1.402 7.481 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.905 0.158 6.605 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.048 1.235 8.671 1.00 0.00 C ATOM 0 H VAL A 30 5.578 3.639 8.337 1.00 0.00 H new ATOM 0 HA VAL A 30 5.778 0.698 8.440 1.00 0.00 H new ATOM 0 HB VAL A 30 3.701 2.290 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.873 0.015 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.543 0.281 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.232 -0.713 7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.030 1.093 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.348 0.366 9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.088 2.127 9.297 1.00 0.00 H new ATOM 464 N ARG A 31 7.343 1.046 6.490 1.00 0.00 N ATOM 465 CA ARG A 31 8.097 1.108 5.250 1.00 0.00 C ATOM 466 C ARG A 31 7.280 0.399 4.192 1.00 0.00 C ATOM 467 O ARG A 31 6.951 -0.779 4.343 1.00 0.00 O ATOM 468 CB ARG A 31 9.452 0.404 5.354 1.00 0.00 C ATOM 469 CG ARG A 31 10.543 1.293 5.941 1.00 0.00 C ATOM 470 CD ARG A 31 11.919 0.793 5.482 1.00 0.00 C ATOM 471 NE ARG A 31 12.205 -0.575 5.929 1.00 0.00 N ATOM 472 CZ ARG A 31 13.281 -1.259 5.524 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.163 -0.711 4.692 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.477 -2.501 5.951 1.00 0.00 N ATOM 0 H ARG A 31 7.646 0.317 7.136 1.00 0.00 H new ATOM 0 HA ARG A 31 8.284 2.155 5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.345 -0.487 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.758 0.069 4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.395 2.325 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.486 1.284 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.971 0.833 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.690 1.463 5.863 1.00 0.00 H new ATOM 0 HE ARG A 31 11.556 -1.023 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.023 0.242 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.979 -1.243 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.807 -2.933 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.297 -3.023 5.642 1.00 0.00 H new ATOM 488 N ILE A 32 6.955 1.124 3.124 1.00 0.00 N ATOM 489 CA ILE A 32 6.198 0.589 2.006 1.00 0.00 C ATOM 490 C ILE A 32 7.056 0.745 0.761 1.00 0.00 C ATOM 491 O ILE A 32 7.800 1.717 0.645 1.00 0.00 O ATOM 492 CB ILE A 32 4.871 1.345 1.857 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.204 1.562 3.224 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.951 0.570 0.909 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.813 2.183 3.098 1.00 0.00 C ATOM 0 H ILE A 32 7.213 2.105 3.014 1.00 0.00 H new ATOM 0 HA ILE A 32 5.957 -0.462 2.166 1.00 0.00 H new ATOM 0 HB ILE A 32 5.066 2.330 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.128 0.607 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.834 2.208 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.007 1.104 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.429 0.476 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.761 -0.423 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.383 2.317 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.890 3.151 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.173 1.525 2.511 1.00 0.00 H new ATOM 507 N GLY A 33 6.952 -0.197 -0.172 1.00 0.00 N ATOM 508 CA GLY A 33 7.710 -0.172 -1.407 1.00 0.00 C ATOM 509 C GLY A 33 6.747 -0.200 -2.583 1.00 0.00 C ATOM 510 O GLY A 33 5.642 -0.730 -2.471 1.00 0.00 O ATOM 0 H GLY A 33 6.333 -1.003 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.330 0.724 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.383 -1.028 -1.452 1.00 0.00 H new ATOM 514 N ILE A 34 7.169 0.371 -3.710 1.00 0.00 N ATOM 515 CA ILE A 34 6.341 0.435 -4.902 1.00 0.00 C ATOM 516 C ILE A 34 7.205 0.101 -6.103 1.00 0.00 C ATOM 517 O ILE A 34 8.385 0.445 -6.142 1.00 0.00 O ATOM 518 CB ILE A 34 5.718 1.832 -5.018 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.906 2.134 -3.746 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.839 1.898 -6.274 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.335 3.548 -3.732 1.00 0.00 C ATOM 0 H ILE A 34 8.089 0.798 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 34 5.524 -0.285 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 34 6.499 2.587 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.090 1.416 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.543 1.995 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.396 2.891 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.448 1.698 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.047 1.152 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.772 3.704 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.150 4.270 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.674 3.682 -4.588 1.00 0.00 H new ATOM 533 N ASN A 35 6.615 -0.568 -7.093 1.00 0.00 N ATOM 534 CA ASN A 35 7.325 -0.980 -8.287 1.00 0.00 C ATOM 535 C ASN A 35 6.457 -0.660 -9.498 1.00 0.00 C ATOM 536 O ASN A 35 5.477 -1.352 -9.776 1.00 0.00 O ATOM 537 CB ASN A 35 7.662 -2.472 -8.185 1.00 0.00 C ATOM 538 CG ASN A 35 8.603 -2.935 -9.286 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.866 -2.209 -10.241 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.117 -4.153 -9.161 1.00 0.00 N ATOM 0 H ASN A 35 5.631 -0.836 -7.083 1.00 0.00 H new ATOM 0 HA ASN A 35 8.267 -0.443 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.117 -2.673 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.741 -3.053 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.753 -4.514 -9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.876 -4.728 -8.354 1.00 0.00 H new ATOM 547 N ALA A 36 6.839 0.397 -10.212 1.00 0.00 N ATOM 548 CA ALA A 36 6.126 0.880 -11.379 1.00 0.00 C ATOM 549 C ALA A 36 7.131 1.461 -12.376 1.00 0.00 C ATOM 550 O ALA A 36 8.216 1.886 -11.980 1.00 0.00 O ATOM 551 CB ALA A 36 5.138 1.959 -10.917 1.00 0.00 C ATOM 0 H ALA A 36 7.668 0.947 -9.987 1.00 0.00 H new ATOM 0 HA ALA A 36 5.582 0.072 -11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.587 2.340 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.439 1.529 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.685 2.775 -10.446 1.00 0.00 H new ATOM 557 N PRO A 37 6.792 1.487 -13.672 1.00 0.00 N ATOM 558 CA PRO A 37 7.631 2.083 -14.699 1.00 0.00 C ATOM 559 C PRO A 37 7.605 3.603 -14.588 1.00 0.00 C ATOM 560 O PRO A 37 6.617 4.173 -14.130 1.00 0.00 O ATOM 561 CB PRO A 37 7.002 1.636 -16.019 1.00 0.00 C ATOM 562 CG PRO A 37 5.527 1.439 -15.674 1.00 0.00 C ATOM 563 CD PRO A 37 5.570 0.943 -14.235 1.00 0.00 C ATOM 0 HA PRO A 37 8.674 1.777 -14.612 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.133 2.386 -16.799 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.454 0.714 -16.385 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.965 2.369 -15.763 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.052 0.715 -16.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.697 1.281 -13.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.571 -0.146 -14.196 1.00 0.00 H new ATOM 571 N LYS A 38 8.683 4.275 -15.008 1.00 0.00 N ATOM 572 CA LYS A 38 8.725 5.734 -15.026 1.00 0.00 C ATOM 573 C LYS A 38 7.683 6.292 -15.996 1.00 0.00 C ATOM 574 O LYS A 38 7.506 7.506 -16.086 1.00 0.00 O ATOM 575 CB LYS A 38 10.130 6.217 -15.390 1.00 0.00 C ATOM 576 CG LYS A 38 11.180 5.818 -14.341 1.00 0.00 C ATOM 577 CD LYS A 38 10.916 6.439 -12.967 1.00 0.00 C ATOM 578 CE LYS A 38 10.883 7.968 -12.988 1.00 0.00 C ATOM 579 NZ LYS A 38 12.157 8.542 -13.455 1.00 0.00 N ATOM 0 H LYS A 38 9.537 3.827 -15.340 1.00 0.00 H new ATOM 0 HA LYS A 38 8.484 6.103 -14.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.413 5.804 -16.358 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.122 7.302 -15.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.197 4.732 -14.246 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.167 6.123 -14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.965 6.068 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.689 6.109 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.075 8.304 -13.637 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.663 8.340 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.115 9.579 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.935 8.189 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.321 8.264 -14.444 1.00 0.00 H new ATOM 593 N ASP A 39 6.991 5.404 -16.717 1.00 0.00 N ATOM 594 CA ASP A 39 5.880 5.747 -17.589 1.00 0.00 C ATOM 595 C ASP A 39 4.684 6.258 -16.777 1.00 0.00 C ATOM 596 O ASP A 39 3.735 6.802 -17.340 1.00 0.00 O ATOM 597 CB ASP A 39 5.486 4.497 -18.374 1.00 0.00 C ATOM 598 CG ASP A 39 4.510 4.815 -19.505 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.868 5.655 -20.361 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.409 4.216 -19.504 1.00 0.00 O ATOM 0 H ASP A 39 7.198 4.405 -16.705 1.00 0.00 H new ATOM 0 HA ASP A 39 6.182 6.543 -18.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.381 4.032 -18.788 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.033 3.772 -17.698 1.00 0.00 H new ATOM 605 N VAL A 40 4.731 6.084 -15.450 1.00 0.00 N ATOM 606 CA VAL A 40 3.686 6.532 -14.541 1.00 0.00 C ATOM 607 C VAL A 40 4.319 7.148 -13.296 1.00 0.00 C ATOM 608 O VAL A 40 5.484 6.901 -12.991 1.00 0.00 O ATOM 609 CB VAL A 40 2.750 5.373 -14.168 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.207 4.682 -15.422 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.452 4.317 -13.315 1.00 0.00 C ATOM 0 H VAL A 40 5.508 5.622 -14.979 1.00 0.00 H new ATOM 0 HA VAL A 40 3.084 7.291 -15.041 1.00 0.00 H new ATOM 0 HB VAL A 40 1.936 5.815 -13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.547 3.865 -15.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.650 5.402 -16.022 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.037 4.287 -16.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.751 3.517 -13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.297 3.906 -13.868 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.810 4.774 -12.392 1.00 0.00 H new ATOM 621 N ALA A 41 3.551 7.956 -12.566 1.00 0.00 N ATOM 622 CA ALA A 41 4.062 8.685 -11.419 1.00 0.00 C ATOM 623 C ALA A 41 3.665 8.008 -10.109 1.00 0.00 C ATOM 624 O ALA A 41 2.664 7.300 -10.044 1.00 0.00 O ATOM 625 CB ALA A 41 3.508 10.106 -11.472 1.00 0.00 C ATOM 0 H ALA A 41 2.562 8.119 -12.756 1.00 0.00 H new ATOM 0 HA ALA A 41 5.151 8.701 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.879 10.673 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.830 10.588 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.419 10.073 -11.440 1.00 0.00 H new ATOM 631 N VAL A 42 4.463 8.238 -9.062 1.00 0.00 N ATOM 632 CA VAL A 42 4.156 7.771 -7.713 1.00 0.00 C ATOM 633 C VAL A 42 4.841 8.702 -6.718 1.00 0.00 C ATOM 634 O VAL A 42 6.038 8.951 -6.836 1.00 0.00 O ATOM 635 CB VAL A 42 4.601 6.312 -7.547 1.00 0.00 C ATOM 636 CG1 VAL A 42 5.992 6.049 -8.122 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.630 5.891 -6.082 1.00 0.00 C ATOM 0 H VAL A 42 5.340 8.754 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 42 3.082 7.794 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 42 3.862 5.731 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.254 5.001 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.995 6.279 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.721 6.679 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.950 4.852 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.328 6.525 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.633 5.995 -5.654 1.00 0.00 H new ATOM 647 N HIS A 43 4.092 9.219 -5.736 1.00 0.00 N ATOM 648 CA HIS A 43 4.633 10.189 -4.790 1.00 0.00 C ATOM 649 C HIS A 43 3.852 10.206 -3.483 1.00 0.00 C ATOM 650 O HIS A 43 2.735 9.700 -3.416 1.00 0.00 O ATOM 651 CB HIS A 43 4.523 11.596 -5.384 1.00 0.00 C ATOM 652 CG HIS A 43 5.133 11.741 -6.747 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.483 11.984 -7.011 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.446 11.652 -7.922 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.576 12.025 -8.349 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.374 11.831 -8.920 1.00 0.00 N ATOM 0 H HIS A 43 3.113 8.979 -5.580 1.00 0.00 H new ATOM 0 HA HIS A 43 5.667 9.902 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.470 11.873 -5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.004 12.302 -4.707 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.236 12.104 -6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.387 11.476 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.493 12.191 -8.894 1.00 0.00 H new ATOM 664 N ARG A 44 4.446 10.790 -2.442 1.00 0.00 N ATOM 665 CA ARG A 44 3.739 11.058 -1.197 1.00 0.00 C ATOM 666 C ARG A 44 2.644 12.079 -1.463 1.00 0.00 C ATOM 667 O ARG A 44 2.695 12.807 -2.454 1.00 0.00 O ATOM 668 CB ARG A 44 4.716 11.609 -0.161 1.00 0.00 C ATOM 669 CG ARG A 44 5.658 10.514 0.325 1.00 0.00 C ATOM 670 CD ARG A 44 6.769 11.122 1.175 1.00 0.00 C ATOM 671 NE ARG A 44 7.735 11.820 0.319 1.00 0.00 N ATOM 672 CZ ARG A 44 8.298 13.001 0.585 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.976 13.700 1.668 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.205 13.492 -0.252 1.00 0.00 N ATOM 0 H ARG A 44 5.422 11.087 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 44 3.299 10.137 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.293 12.426 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.164 12.022 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.104 9.778 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.087 9.987 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.344 11.817 1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.273 10.339 1.742 1.00 0.00 H new ATOM 0 HE ARG A 44 7.999 11.364 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.282 13.337 2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.423 14.600 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.465 12.968 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.642 14.393 -0.059 1.00 0.00 H new ATOM 688 N GLU A 45 1.648 12.144 -0.581 1.00 0.00 N ATOM 689 CA GLU A 45 0.543 13.080 -0.736 1.00 0.00 C ATOM 690 C GLU A 45 1.040 14.522 -0.602 1.00 0.00 C ATOM 691 O GLU A 45 0.411 15.441 -1.120 1.00 0.00 O ATOM 692 CB GLU A 45 -0.528 12.715 0.295 1.00 0.00 C ATOM 693 CG GLU A 45 -1.885 13.368 0.012 1.00 0.00 C ATOM 694 CD GLU A 45 -1.994 14.816 0.497 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.223 15.199 1.401 1.00 0.00 O ATOM 696 OE2 GLU A 45 -2.865 15.527 -0.053 1.00 0.00 O ATOM 0 H GLU A 45 1.586 11.556 0.250 1.00 0.00 H new ATOM 0 HA GLU A 45 0.103 13.010 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.650 11.632 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.187 13.015 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.073 13.340 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.667 12.777 0.488 1.00 0.00 H new ATOM 703 N GLU A 46 2.169 14.724 0.091 1.00 0.00 N ATOM 704 CA GLU A 46 2.765 16.047 0.266 1.00 0.00 C ATOM 705 C GLU A 46 3.661 16.435 -0.914 1.00 0.00 C ATOM 706 O GLU A 46 4.145 17.565 -0.970 1.00 0.00 O ATOM 707 CB GLU A 46 3.565 16.076 1.578 1.00 0.00 C ATOM 708 CG GLU A 46 4.798 15.168 1.526 1.00 0.00 C ATOM 709 CD GLU A 46 5.540 15.122 2.863 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.915 16.205 3.364 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.726 13.998 3.380 1.00 0.00 O ATOM 0 H GLU A 46 2.691 13.974 0.544 1.00 0.00 H new ATOM 0 HA GLU A 46 1.958 16.779 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.878 17.099 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.921 15.765 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.493 14.159 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.475 15.522 0.749 1.00 0.00 H new ATOM 718 N ILE A 47 3.880 15.510 -1.854 1.00 0.00 N ATOM 719 CA ILE A 47 4.708 15.737 -3.036 1.00 0.00 C ATOM 720 C ILE A 47 3.852 15.696 -4.295 1.00 0.00 C ATOM 721 O ILE A 47 4.112 16.447 -5.230 1.00 0.00 O ATOM 722 CB ILE A 47 5.812 14.672 -3.083 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.819 14.865 -1.949 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.549 14.700 -4.418 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.441 16.264 -1.913 1.00 0.00 C ATOM 0 H ILE A 47 3.481 14.572 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 47 5.169 16.723 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 47 5.324 13.704 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.323 14.672 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.614 14.126 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.325 13.935 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.844 14.506 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.005 15.680 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.145 16.328 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.966 16.453 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.656 17.008 -1.781 1.00 0.00 H new ATOM 737 N TYR A 48 2.829 14.837 -4.332 1.00 0.00 N ATOM 738 CA TYR A 48 1.970 14.706 -5.494 1.00 0.00 C ATOM 739 C TYR A 48 1.363 16.054 -5.891 1.00 0.00 C ATOM 740 O TYR A 48 1.225 16.345 -7.076 1.00 0.00 O ATOM 741 CB TYR A 48 0.861 13.704 -5.176 1.00 0.00 C ATOM 742 CG TYR A 48 -0.285 13.755 -6.156 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.046 13.676 -7.537 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.596 13.897 -5.676 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.111 13.769 -8.440 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.668 13.975 -6.573 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.430 13.914 -7.962 1.00 0.00 C ATOM 748 OH TYR A 48 -3.469 13.998 -8.840 1.00 0.00 O ATOM 0 H TYR A 48 2.581 14.220 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 48 2.565 14.352 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.280 12.698 -5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.482 13.898 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.961 13.543 -7.903 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.778 13.946 -4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.923 13.730 -9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.677 14.082 -6.202 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.309 14.094 -8.345 1.00 0.00 H new ATOM 758 N GLN A 49 1.005 16.880 -4.905 1.00 0.00 N ATOM 759 CA GLN A 49 0.391 18.170 -5.170 1.00 0.00 C ATOM 760 C GLN A 49 1.362 19.106 -5.887 1.00 0.00 C ATOM 761 O GLN A 49 0.939 20.063 -6.529 1.00 0.00 O ATOM 762 CB GLN A 49 -0.040 18.812 -3.849 1.00 0.00 C ATOM 763 CG GLN A 49 -1.041 17.923 -3.108 1.00 0.00 C ATOM 764 CD GLN A 49 -1.421 18.530 -1.760 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.951 19.636 -1.691 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.156 17.801 -0.683 1.00 0.00 N ATOM 0 H GLN A 49 1.133 16.671 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.475 18.009 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.835 18.983 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.488 19.787 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.936 17.792 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.611 16.933 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.715 16.887 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.394 18.155 0.244 1.00 0.00 H new ATOM 775 N ARG A 50 2.667 18.834 -5.781 1.00 0.00 N ATOM 776 CA ARG A 50 3.701 19.679 -6.357 1.00 0.00 C ATOM 777 C ARG A 50 4.000 19.295 -7.805 1.00 0.00 C ATOM 778 O ARG A 50 4.350 20.160 -8.606 1.00 0.00 O ATOM 779 CB ARG A 50 4.946 19.565 -5.478 1.00 0.00 C ATOM 780 CG ARG A 50 6.044 20.505 -5.958 1.00 0.00 C ATOM 781 CD ARG A 50 7.231 20.379 -5.008 1.00 0.00 C ATOM 782 NE ARG A 50 6.964 21.022 -3.715 1.00 0.00 N ATOM 783 CZ ARG A 50 7.611 20.738 -2.578 1.00 0.00 C ATOM 784 NH1 ARG A 50 8.579 19.826 -2.553 1.00 0.00 N ATOM 785 NH2 ARG A 50 7.283 21.371 -1.456 1.00 0.00 N ATOM 0 H ARG A 50 3.030 18.017 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 50 3.359 20.714 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.688 19.799 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.311 18.538 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.343 20.252 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.682 21.533 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.460 19.325 -4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.112 20.831 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 50 6.235 21.735 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.837 19.333 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.063 19.620 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.541 22.070 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.774 21.157 -0.588 1.00 0.00 H new ATOM 799 N ILE A 51 3.869 18.014 -8.157 1.00 0.00 N ATOM 800 CA ILE A 51 4.040 17.581 -9.545 1.00 0.00 C ATOM 801 C ILE A 51 2.950 18.217 -10.412 1.00 0.00 C ATOM 802 O ILE A 51 3.081 18.281 -11.634 1.00 0.00 O ATOM 803 CB ILE A 51 4.061 16.046 -9.659 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.367 15.435 -9.130 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.983 15.598 -11.122 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.493 15.510 -7.614 1.00 0.00 C ATOM 0 H ILE A 51 3.646 17.263 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 51 5.009 17.921 -9.911 1.00 0.00 H new ATOM 0 HB ILE A 51 3.204 15.711 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.425 14.392 -9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.213 15.951 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.000 14.509 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.059 15.967 -11.567 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.835 15.999 -11.671 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.437 15.062 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.466 16.553 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.666 14.969 -7.153 1.00 0.00 H new ATOM 1635 N MET C 1 12.086 -0.126 -7.548 1.00 0.00 N ATOM 1636 CA MET C 1 11.508 0.035 -6.199 1.00 0.00 C ATOM 1637 C MET C 1 11.619 1.478 -5.741 1.00 0.00 C ATOM 1638 O MET C 1 12.675 2.087 -5.884 1.00 0.00 O ATOM 1639 CB MET C 1 12.240 -0.843 -5.180 1.00 0.00 C ATOM 1640 CG MET C 1 11.663 -0.650 -3.776 1.00 0.00 C ATOM 1641 SD MET C 1 10.053 -1.427 -3.508 1.00 0.00 S ATOM 1642 CE MET C 1 10.653 -3.113 -3.249 1.00 0.00 C ATOM 0 H1 MET C 1 12.630 -1.012 -7.589 1.00 0.00 H new ATOM 0 H2 MET C 1 11.321 -0.156 -8.252 1.00 0.00 H new ATOM 0 H3 MET C 1 12.715 0.676 -7.754 1.00 0.00 H new ATOM 0 HA MET C 1 10.461 -0.263 -6.258 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.157 -1.890 -5.471 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.302 -0.596 -5.178 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.370 -1.050 -3.049 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.573 0.418 -3.578 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.828 -3.747 -2.923 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.062 -3.501 -4.182 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.431 -3.109 -2.486 1.00 0.00 H new ATOM 1654 N LEU C 2 10.537 2.025 -5.186 1.00 0.00 N ATOM 1655 CA LEU C 2 10.545 3.345 -4.584 1.00 0.00 C ATOM 1656 C LEU C 2 9.918 3.201 -3.202 1.00 0.00 C ATOM 1657 O LEU C 2 8.707 3.006 -3.088 1.00 0.00 O ATOM 1658 CB LEU C 2 9.789 4.308 -5.508 1.00 0.00 C ATOM 1659 CG LEU C 2 9.939 5.796 -5.160 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.715 6.263 -4.393 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.163 6.123 -4.303 1.00 0.00 C ATOM 0 H LEU C 2 9.631 1.558 -5.145 1.00 0.00 H new ATOM 0 HA LEU C 2 11.546 3.759 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.135 4.153 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.730 4.051 -5.487 1.00 0.00 H new ATOM 0 HG LEU C 2 10.057 6.306 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.822 7.319 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.825 6.122 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.618 5.684 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.192 7.194 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.102 5.580 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.068 5.828 -4.834 1.00 0.00 H new ATOM 1673 N ILE C 3 10.745 3.305 -2.160 1.00 0.00 N ATOM 1674 CA ILE C 3 10.305 3.178 -0.782 1.00 0.00 C ATOM 1675 C ILE C 3 9.798 4.522 -0.286 1.00 0.00 C ATOM 1676 O ILE C 3 10.332 5.567 -0.660 1.00 0.00 O ATOM 1677 CB ILE C 3 11.456 2.715 0.133 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.912 1.288 -0.189 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.976 2.709 1.587 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.979 1.250 -1.275 1.00 0.00 C ATOM 0 H ILE C 3 11.745 3.481 -2.256 1.00 0.00 H new ATOM 0 HA ILE C 3 9.510 2.433 -0.750 1.00 0.00 H new ATOM 0 HB ILE C 3 12.285 3.405 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.302 0.821 0.716 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.052 0.698 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.788 2.382 2.237 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.666 3.714 1.872 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.132 2.026 1.689 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.268 0.216 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.583 1.691 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.851 1.816 -0.948 1.00 0.00 H new ATOM 1692 N LEU C 4 8.765 4.480 0.556 1.00 0.00 N ATOM 1693 CA LEU C 4 8.245 5.647 1.244 1.00 0.00 C ATOM 1694 C LEU C 4 7.823 5.209 2.643 1.00 0.00 C ATOM 1695 O LEU C 4 7.167 4.181 2.798 1.00 0.00 O ATOM 1696 CB LEU C 4 7.038 6.212 0.483 1.00 0.00 C ATOM 1697 CG LEU C 4 7.400 6.775 -0.895 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.120 7.180 -1.622 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.304 8.000 -0.779 1.00 0.00 C ATOM 0 H LEU C 4 8.264 3.620 0.778 1.00 0.00 H new ATOM 0 HA LEU C 4 9.005 6.427 1.301 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.293 5.426 0.362 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.577 6.999 1.080 1.00 0.00 H new ATOM 0 HG LEU C 4 7.933 6.001 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.371 7.582 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.477 6.308 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.597 7.940 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.541 8.373 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.792 8.778 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.226 7.725 -0.266 1.00 0.00 H new ATOM 1711 N THR C 5 8.195 5.988 3.661 1.00 0.00 N ATOM 1712 CA THR C 5 7.758 5.726 5.025 1.00 0.00 C ATOM 1713 C THR C 5 6.538 6.576 5.317 1.00 0.00 C ATOM 1714 O THR C 5 6.398 7.675 4.781 1.00 0.00 O ATOM 1715 CB THR C 5 8.849 6.083 6.037 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.392 7.352 5.755 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.962 5.046 6.013 1.00 0.00 C ATOM 0 H THR C 5 8.798 6.805 3.562 1.00 0.00 H new ATOM 0 HA THR C 5 7.531 4.664 5.115 1.00 0.00 H new ATOM 0 HB THR C 5 8.393 6.099 7.027 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.087 7.564 6.413 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.728 5.318 6.739 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.553 4.068 6.265 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.403 5.009 5.017 1.00 0.00 H new ATOM 1725 N ARG C 6 5.648 6.075 6.176 1.00 0.00 N ATOM 1726 CA ARG C 6 4.499 6.852 6.609 1.00 0.00 C ATOM 1727 C ARG C 6 3.997 6.380 7.963 1.00 0.00 C ATOM 1728 O ARG C 6 4.356 5.294 8.404 1.00 0.00 O ATOM 1729 CB ARG C 6 3.404 6.763 5.548 1.00 0.00 C ATOM 1730 CG ARG C 6 3.056 8.189 5.125 1.00 0.00 C ATOM 1731 CD ARG C 6 2.269 8.195 3.822 1.00 0.00 C ATOM 1732 NE ARG C 6 0.999 7.465 3.926 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.799 6.201 3.546 1.00 0.00 C ATOM 1734 NH1 ARG C 6 1.810 5.422 3.178 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.429 5.699 3.531 1.00 0.00 N ATOM 0 H ARG C 6 5.705 5.140 6.580 1.00 0.00 H new ATOM 0 HA ARG C 6 4.795 7.894 6.726 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.747 6.182 4.692 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.525 6.256 5.946 1.00 0.00 H new ATOM 0 HG2 ARG C 6 2.473 8.672 5.909 1.00 0.00 H new ATOM 0 HG3 ARG C 6 3.970 8.770 5.004 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.069 9.225 3.528 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.876 7.750 3.033 1.00 0.00 H new ATOM 0 HE ARG C 6 0.203 7.966 4.322 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.763 5.787 3.182 1.00 0.00 H new ATOM 0 HH12 ARG C 6 1.634 4.459 2.891 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -1.220 6.279 3.810 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.582 4.733 3.241 1.00 0.00 H new ATOM 1749 N LYS C 7 3.163 7.196 8.617 1.00 0.00 N ATOM 1750 CA LYS C 7 2.603 6.873 9.924 1.00 0.00 C ATOM 1751 C LYS C 7 1.133 6.514 9.733 1.00 0.00 C ATOM 1752 O LYS C 7 0.494 7.005 8.800 1.00 0.00 O ATOM 1753 CB LYS C 7 2.751 8.077 10.862 1.00 0.00 C ATOM 1754 CG LYS C 7 3.297 7.734 12.252 1.00 0.00 C ATOM 1755 CD LYS C 7 4.773 7.328 12.205 1.00 0.00 C ATOM 1756 CE LYS C 7 5.357 7.156 13.608 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.367 8.430 14.350 1.00 0.00 N ATOM 0 H LYS C 7 2.860 8.098 8.251 1.00 0.00 H new ATOM 0 HA LYS C 7 3.131 6.031 10.372 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.413 8.807 10.395 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.778 8.556 10.975 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.179 8.595 12.910 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.711 6.921 12.681 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.876 6.395 11.651 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.342 8.085 11.664 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.773 6.418 14.158 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.373 6.768 13.535 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.013 8.354 15.161 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.687 9.195 13.722 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.407 8.641 14.691 1.00 0.00 H new ATOM 1771 N VAL C 8 0.587 5.665 10.607 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.809 5.261 10.489 1.00 0.00 C ATOM 1773 C VAL C 8 -1.709 6.500 10.474 1.00 0.00 C ATOM 1774 O VAL C 8 -1.684 7.303 11.408 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.196 4.260 11.586 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.305 3.021 11.469 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.054 4.806 13.005 1.00 0.00 C ATOM 0 H VAL C 8 1.086 5.250 11.394 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.951 4.739 9.543 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.250 4.032 11.429 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.574 2.305 12.245 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.444 2.564 10.489 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.739 3.311 11.589 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.347 4.038 13.721 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.017 5.092 13.183 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.697 5.678 13.125 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.507 6.653 9.412 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.429 7.769 9.269 1.00 0.00 C ATOM 1789 C GLY C 9 -3.098 8.676 8.076 1.00 0.00 C ATOM 1790 O GLY C 9 -3.831 9.629 7.823 1.00 0.00 O ATOM 0 H GLY C 9 -2.527 6.000 8.628 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.442 7.383 9.154 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.416 8.362 10.183 1.00 0.00 H new ATOM 1794 N GLU C 10 -2.011 8.404 7.345 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.586 9.250 6.228 1.00 0.00 C ATOM 1796 C GLU C 10 -1.838 8.592 4.869 1.00 0.00 C ATOM 1797 O GLU C 10 -2.349 7.474 4.801 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.109 9.595 6.409 1.00 0.00 C ATOM 1799 CG GLU C 10 0.112 10.399 7.694 1.00 0.00 C ATOM 1800 CD GLU C 10 1.566 10.841 7.818 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.416 9.965 8.090 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.816 12.052 7.638 1.00 0.00 O ATOM 0 H GLU C 10 -1.407 7.599 7.510 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.183 10.162 6.236 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.481 8.679 6.443 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.242 10.169 5.551 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.539 11.273 7.697 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.163 9.794 8.558 1.00 0.00 H new ATOM 1809 N SER C 11 -1.486 9.278 3.775 1.00 0.00 N ATOM 1810 CA SER C 11 -1.765 8.794 2.422 1.00 0.00 C ATOM 1811 C SER C 11 -0.610 9.018 1.442 1.00 0.00 C ATOM 1812 O SER C 11 0.339 9.743 1.734 1.00 0.00 O ATOM 1813 CB SER C 11 -3.028 9.484 1.901 1.00 0.00 C ATOM 1814 OG SER C 11 -4.132 9.140 2.709 1.00 0.00 O ATOM 0 H SER C 11 -1.004 10.176 3.804 1.00 0.00 H new ATOM 0 HA SER C 11 -1.904 7.715 2.487 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.889 10.565 1.902 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.215 9.187 0.869 1.00 0.00 H new ATOM 0 HG SER C 11 -4.936 9.586 2.371 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.716 8.377 0.270 1.00 0.00 N ATOM 1821 CA ILE C 12 0.261 8.382 -0.817 1.00 0.00 C ATOM 1822 C ILE C 12 -0.515 8.363 -2.140 1.00 0.00 C ATOM 1823 O ILE C 12 -1.712 8.081 -2.142 1.00 0.00 O ATOM 1824 CB ILE C 12 1.203 7.169 -0.660 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.178 7.472 0.483 1.00 0.00 C ATOM 1826 CG2 ILE C 12 1.988 6.814 -1.924 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.229 6.381 0.707 1.00 0.00 C ATOM 0 H ILE C 12 -1.534 7.810 0.047 1.00 0.00 H new ATOM 0 HA ILE C 12 0.888 9.273 -0.798 1.00 0.00 H new ATOM 0 HB ILE C 12 0.579 6.300 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.685 8.414 0.275 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.611 7.612 1.404 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.625 5.951 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.293 6.575 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.607 7.662 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.881 6.668 1.532 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.732 5.441 0.948 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.823 6.256 -0.199 1.00 0.00 H new ATOM 1839 N ASN C 13 0.142 8.663 -3.264 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.513 8.772 -4.563 1.00 0.00 C ATOM 1841 C ASN C 13 0.242 8.023 -5.653 1.00 0.00 C ATOM 1842 O ASN C 13 1.455 7.835 -5.576 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.621 10.251 -4.927 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.748 10.922 -4.159 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.511 11.647 -3.200 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -2.985 10.681 -4.579 1.00 0.00 N ATOM 0 H ASN C 13 1.147 8.837 -3.295 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.501 8.317 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.322 10.753 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.795 10.353 -5.998 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.778 11.106 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.141 10.071 -5.382 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.507 7.599 -6.677 1.00 0.00 N ATOM 1854 CA ILE C 14 0.014 6.893 -7.840 1.00 0.00 C ATOM 1855 C ILE C 14 -0.777 7.364 -9.059 1.00 0.00 C ATOM 1856 O ILE C 14 -1.981 7.605 -8.970 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.133 5.374 -7.654 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.576 4.913 -6.371 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.441 4.645 -8.871 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.447 3.407 -6.138 1.00 0.00 C ATOM 0 H ILE C 14 -1.516 7.744 -6.715 1.00 0.00 H new ATOM 0 HA ILE C 14 1.075 7.106 -7.972 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.192 5.133 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.631 5.179 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.158 5.446 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.334 3.569 -8.734 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.099 4.952 -9.767 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.497 4.894 -8.980 1.00 0.00 H new ATOM 0 HD11 ILE C 14 0.966 3.135 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.607 3.141 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.890 2.870 -6.977 1.00 0.00 H new ATOM 1872 N GLY C 15 -0.103 7.499 -10.204 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.730 8.009 -11.412 1.00 0.00 C ATOM 1874 C GLY C 15 -1.385 9.358 -11.132 1.00 0.00 C ATOM 1875 O GLY C 15 -0.837 10.185 -10.400 1.00 0.00 O ATOM 0 H GLY C 15 0.882 7.259 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.015 8.114 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.477 7.301 -11.771 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.563 9.576 -11.718 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.371 10.769 -11.496 1.00 0.00 C ATOM 1881 C ASP C 16 -4.814 10.372 -11.170 1.00 0.00 C ATOM 1882 O ASP C 16 -5.708 11.217 -11.171 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.268 11.713 -12.695 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.885 11.125 -13.962 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.349 10.105 -14.453 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.890 11.699 -14.432 1.00 0.00 O ATOM 0 H ASP C 16 -2.987 8.916 -12.370 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.989 11.317 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.765 12.653 -12.456 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -2.219 11.945 -12.880 1.00 0.00 H new ATOM 1891 N ASP C 17 -5.031 9.079 -10.891 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.347 8.530 -10.594 1.00 0.00 C ATOM 1893 C ASP C 17 -6.298 7.518 -9.445 1.00 0.00 C ATOM 1894 O ASP C 17 -7.302 6.857 -9.183 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.925 7.861 -11.848 1.00 0.00 C ATOM 1896 CG ASP C 17 -7.234 8.864 -12.955 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -8.153 9.690 -12.749 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.551 8.797 -14.000 1.00 0.00 O ATOM 0 H ASP C 17 -4.285 8.384 -10.867 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.988 9.355 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.217 7.121 -12.220 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.836 7.325 -11.583 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.159 7.377 -8.754 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.056 6.415 -7.662 1.00 0.00 C ATOM 1905 C ILE C 18 -4.481 7.078 -6.412 1.00 0.00 C ATOM 1906 O ILE C 18 -3.640 7.976 -6.493 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.203 5.202 -8.083 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.764 4.481 -9.314 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.148 4.188 -6.933 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.185 5.057 -10.608 1.00 0.00 C ATOM 0 H ILE C 18 -4.309 7.912 -8.933 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.058 6.057 -7.425 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.214 5.588 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.533 3.418 -9.252 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.850 4.571 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.545 3.331 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.703 4.657 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.158 3.855 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.603 4.524 -11.462 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.438 6.115 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.101 4.943 -10.604 1.00 0.00 H new ATOM 1922 N THR C 19 -4.945 6.621 -5.249 1.00 0.00 N ATOM 1923 CA THR C 19 -4.492 7.089 -3.946 1.00 0.00 C ATOM 1924 C THR C 19 -4.382 5.887 -3.013 1.00 0.00 C ATOM 1925 O THR C 19 -5.045 4.875 -3.225 1.00 0.00 O ATOM 1926 CB THR C 19 -5.483 8.122 -3.398 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.661 9.161 -4.336 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.996 8.746 -2.093 1.00 0.00 C ATOM 0 H THR C 19 -5.663 5.899 -5.189 1.00 0.00 H new ATOM 0 HA THR C 19 -3.517 7.568 -4.028 1.00 0.00 H new ATOM 0 HB THR C 19 -6.419 7.596 -3.211 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.296 9.817 -3.981 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.729 9.472 -1.741 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.868 7.966 -1.342 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.043 9.246 -2.262 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.544 6.002 -1.982 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.254 4.928 -1.042 1.00 0.00 C ATOM 1938 C ILE C 20 -3.333 5.492 0.375 1.00 0.00 C ATOM 1939 O ILE C 20 -3.041 6.668 0.582 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.838 4.389 -1.313 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.627 3.957 -2.770 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.517 3.216 -0.378 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.470 2.744 -3.161 1.00 0.00 C ATOM 0 H ILE C 20 -3.039 6.864 -1.776 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.972 4.116 -1.156 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.156 5.217 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.871 4.790 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.573 3.726 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.512 2.850 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.574 3.550 0.658 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.236 2.414 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.277 2.487 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.209 1.899 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.527 2.980 -3.036 1.00 0.00 H new ATOM 1955 N THR C 21 -3.723 4.666 1.347 1.00 0.00 N ATOM 1956 CA THR C 21 -3.854 5.098 2.734 1.00 0.00 C ATOM 1957 C THR C 21 -3.387 3.989 3.671 1.00 0.00 C ATOM 1958 O THR C 21 -3.460 2.810 3.326 1.00 0.00 O ATOM 1959 CB THR C 21 -5.319 5.461 3.013 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.783 6.384 2.052 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.496 6.091 4.391 1.00 0.00 C ATOM 0 H THR C 21 -3.955 3.685 1.194 1.00 0.00 H new ATOM 0 HA THR C 21 -3.231 5.976 2.907 1.00 0.00 H new ATOM 0 HB THR C 21 -5.888 4.533 2.968 1.00 0.00 H new ATOM 0 HG1 THR C 21 -5.346 7.250 2.192 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.547 6.333 4.548 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.167 5.389 5.157 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.901 7.002 4.454 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.899 4.368 4.856 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.422 3.430 5.863 1.00 0.00 C ATOM 1971 C ILE C 22 -3.366 3.482 7.061 1.00 0.00 C ATOM 1972 O ILE C 22 -3.166 4.254 7.999 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.942 3.697 6.198 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.440 2.798 7.328 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.672 5.141 6.619 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.623 1.320 7.014 1.00 0.00 C ATOM 0 H ILE C 22 -2.826 5.345 5.141 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.439 2.406 5.489 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.412 3.483 5.270 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.616 3.001 7.509 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.974 3.041 8.247 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.388 5.263 6.841 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.953 5.815 5.809 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.258 5.377 7.507 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.252 0.722 7.846 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.681 1.109 6.860 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.067 1.068 6.111 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.409 2.652 7.022 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.453 2.677 8.034 1.00 0.00 C ATOM 1990 C LEU C 23 -4.914 2.286 9.405 1.00 0.00 C ATOM 1991 O LEU C 23 -5.436 2.750 10.418 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.586 1.729 7.638 1.00 0.00 C ATOM 1993 CG LEU C 23 -7.060 1.933 6.196 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.241 1.006 5.930 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.512 3.366 5.935 1.00 0.00 C ATOM 0 H LEU C 23 -4.549 1.952 6.294 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.831 3.697 8.097 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.251 0.699 7.762 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.428 1.874 8.315 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.219 1.714 5.538 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.587 1.143 4.906 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.931 -0.029 6.073 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -9.051 1.241 6.621 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.839 3.462 4.900 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.339 3.614 6.601 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.682 4.048 6.118 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.875 1.442 9.451 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.249 1.106 10.723 1.00 0.00 C ATOM 2009 C GLY C 24 -2.486 -0.214 10.674 1.00 0.00 C ATOM 2010 O GLY C 24 -2.254 -0.763 9.597 1.00 0.00 O ATOM 0 H GLY C 24 -3.461 0.990 8.636 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.566 1.905 11.009 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.015 1.050 11.496 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.099 -0.721 11.848 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.414 -2.006 11.974 1.00 0.00 C ATOM 2016 C VAL C 25 -2.069 -2.840 13.072 1.00 0.00 C ATOM 2017 O VAL C 25 -2.832 -2.319 13.884 1.00 0.00 O ATOM 2018 CB VAL C 25 0.090 -1.814 12.246 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.704 -0.874 11.202 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.361 -1.254 13.638 1.00 0.00 C ATOM 0 H VAL C 25 -2.253 -0.249 12.739 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.506 -2.540 11.028 1.00 0.00 H new ATOM 0 HB VAL C 25 0.549 -2.801 12.182 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.767 -0.748 11.407 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.574 -1.301 10.207 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.208 0.095 11.249 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.435 -1.137 13.780 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.126 -0.284 13.741 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -0.032 -1.939 14.389 1.00 0.00 H new ATOM 2030 N SER C 26 -1.767 -4.137 13.092 1.00 0.00 N ATOM 2031 CA SER C 26 -2.281 -5.078 14.078 1.00 0.00 C ATOM 2032 C SER C 26 -1.190 -6.114 14.326 1.00 0.00 C ATOM 2033 O SER C 26 -1.240 -7.227 13.803 1.00 0.00 O ATOM 2034 CB SER C 26 -3.582 -5.719 13.586 1.00 0.00 C ATOM 2035 OG SER C 26 -4.156 -6.492 14.619 1.00 0.00 O ATOM 0 H SER C 26 -1.145 -4.569 12.408 1.00 0.00 H new ATOM 0 HA SER C 26 -2.526 -4.573 15.012 1.00 0.00 H new ATOM 0 HB2 SER C 26 -4.281 -4.946 13.267 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.383 -6.347 12.717 1.00 0.00 H new ATOM 0 HG SER C 26 -4.989 -6.898 14.299 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.193 -5.744 15.128 1.00 0.00 N ATOM 2042 CA GLY C 27 0.995 -6.562 15.294 1.00 0.00 C ATOM 2043 C GLY C 27 1.860 -6.385 14.055 1.00 0.00 C ATOM 2044 O GLY C 27 2.365 -5.289 13.802 1.00 0.00 O ATOM 0 H GLY C 27 -0.190 -4.881 15.671 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.543 -6.263 16.188 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.722 -7.609 15.423 1.00 0.00 H new ATOM 2048 N GLN C 28 2.032 -7.457 13.280 1.00 0.00 N ATOM 2049 CA GLN C 28 2.812 -7.412 12.050 1.00 0.00 C ATOM 2050 C GLN C 28 1.884 -7.255 10.860 1.00 0.00 C ATOM 2051 O GLN C 28 2.351 -7.168 9.726 1.00 0.00 O ATOM 2052 CB GLN C 28 3.674 -8.671 11.932 1.00 0.00 C ATOM 2053 CG GLN C 28 5.025 -8.460 12.623 1.00 0.00 C ATOM 2054 CD GLN C 28 4.882 -7.735 13.958 1.00 0.00 C ATOM 2055 OE1 GLN C 28 4.593 -8.343 14.985 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.085 -6.418 13.948 1.00 0.00 N ATOM 0 H GLN C 28 1.636 -8.374 13.488 1.00 0.00 H new ATOM 0 HA GLN C 28 3.481 -6.552 12.070 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.156 -9.518 12.383 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.830 -8.915 10.881 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.503 -9.426 12.785 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.681 -7.886 11.968 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.324 -5.945 13.076 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.002 -5.883 14.812 1.00 0.00 H new ATOM 2065 N GLN C 29 0.573 -7.214 11.110 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.382 -6.889 10.073 1.00 0.00 C ATOM 2067 C GLN C 29 -0.357 -5.402 9.781 1.00 0.00 C ATOM 2068 O GLN C 29 0.109 -4.602 10.595 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.794 -7.252 10.505 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.109 -8.716 10.248 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.609 -8.898 10.366 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.187 -8.682 11.426 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.256 -9.298 9.280 1.00 0.00 N ATOM 0 H GLN C 29 0.159 -7.403 12.023 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.105 -7.458 9.185 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.915 -7.036 11.566 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.509 -6.628 9.969 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.766 -9.012 9.257 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.590 -9.350 10.967 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.743 -9.468 8.415 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.266 -9.435 9.310 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.869 -5.044 8.605 1.00 0.00 N ATOM 2083 CA VAL C 30 -0.989 -3.669 8.175 1.00 0.00 C ATOM 2084 C VAL C 30 -2.287 -3.546 7.391 1.00 0.00 C ATOM 2085 O VAL C 30 -2.423 -4.163 6.337 1.00 0.00 O ATOM 2086 CB VAL C 30 0.216 -3.309 7.297 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.198 -1.822 6.971 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.533 -3.604 8.009 1.00 0.00 C ATOM 0 H VAL C 30 -1.214 -5.717 7.921 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.006 -2.986 9.024 1.00 0.00 H new ATOM 0 HB VAL C 30 0.144 -3.911 6.391 1.00 0.00 H new ATOM 0 HG11 VAL C 30 1.057 -1.576 6.347 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.720 -1.578 6.437 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.244 -1.246 7.895 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.366 -3.337 7.359 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.589 -3.020 8.928 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.586 -4.666 8.250 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.244 -2.754 7.897 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.444 -2.436 7.138 1.00 0.00 C ATOM 2100 C ARG C 31 -4.083 -1.320 6.174 1.00 0.00 C ATOM 2101 O ARG C 31 -3.795 -0.198 6.595 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.593 -1.945 8.027 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.412 -3.088 8.617 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.822 -2.590 8.955 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.820 -1.516 9.953 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.911 -0.815 10.281 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.080 -1.070 9.701 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.838 0.151 11.189 1.00 0.00 N ATOM 0 H ARG C 31 -3.203 -2.329 8.823 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.783 -3.341 6.634 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.187 -1.339 8.837 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.248 -1.298 7.443 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.467 -3.913 7.907 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.926 -3.472 9.514 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.305 -2.234 8.045 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.418 -3.424 9.326 1.00 0.00 H new ATOM 0 HE ARG C 31 -6.942 -1.292 10.421 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.151 -1.806 8.999 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.906 -0.529 9.959 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.947 0.361 11.640 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.673 0.683 11.436 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.106 -1.648 4.884 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.813 -0.713 3.817 1.00 0.00 C ATOM 2124 C ILE C 32 -5.107 -0.463 3.058 1.00 0.00 C ATOM 2125 O ILE C 32 -5.928 -1.366 2.913 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.735 -1.298 2.893 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.601 -1.917 3.722 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.201 -0.196 1.968 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.419 -2.376 2.866 1.00 0.00 C ATOM 0 H ILE C 32 -4.333 -2.586 4.553 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.430 0.227 4.214 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.172 -2.088 2.281 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.252 -1.187 4.453 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -1.990 -2.768 4.282 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.436 -0.611 1.312 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.018 0.202 1.366 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.769 0.605 2.568 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.350 -2.805 3.508 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.757 -3.128 2.153 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.008 -1.523 2.326 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.293 0.763 2.571 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.481 1.136 1.831 1.00 0.00 C ATOM 2143 C GLY C 33 -6.071 1.689 0.473 1.00 0.00 C ATOM 2144 O GLY C 33 -4.988 2.259 0.337 1.00 0.00 O ATOM 0 H GLY C 33 -4.619 1.521 2.683 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.131 0.271 1.703 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.050 1.883 2.385 1.00 0.00 H new ATOM 2148 N ILE C 34 -6.934 1.525 -0.525 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.652 1.987 -1.872 1.00 0.00 C ATOM 2150 C ILE C 34 -7.896 2.670 -2.415 1.00 0.00 C ATOM 2151 O ILE C 34 -9.016 2.262 -2.103 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.229 0.795 -2.743 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.001 0.120 -2.122 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.927 1.286 -4.163 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.608 -1.155 -2.866 1.00 0.00 C ATOM 0 H ILE C 34 -7.841 1.071 -0.420 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.831 2.705 -1.876 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.035 0.063 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.163 0.816 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.208 -0.119 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.626 0.442 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.819 1.748 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.120 2.018 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.733 -1.599 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.436 -1.864 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.374 -0.914 -3.903 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.704 3.708 -3.224 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.800 4.467 -3.790 1.00 0.00 C ATOM 2169 C ASN C 35 -8.513 4.717 -5.265 1.00 0.00 C ATOM 2170 O ASN C 35 -7.679 5.548 -5.613 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.968 5.765 -3.003 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.246 6.509 -3.374 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.975 6.111 -4.278 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.519 7.601 -2.671 1.00 0.00 N ATOM 0 H ASN C 35 -6.781 4.042 -3.502 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.738 3.917 -3.720 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.978 5.541 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.109 6.411 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.360 8.142 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.888 7.900 -1.927 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.221 3.980 -6.120 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.067 4.050 -7.561 1.00 0.00 C ATOM 2183 C ALA C 36 -10.422 3.827 -8.231 1.00 0.00 C ATOM 2184 O ALA C 36 -11.300 3.202 -7.637 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.077 2.959 -7.979 1.00 0.00 C ATOM 0 H ALA C 36 -9.928 3.309 -5.820 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.693 5.028 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.940 2.987 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.119 3.129 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.466 1.983 -7.687 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.606 4.326 -9.458 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.823 4.114 -10.220 1.00 0.00 C ATOM 2193 C PRO C 37 -11.908 2.661 -10.686 1.00 0.00 C ATOM 2194 O PRO C 37 -10.885 2.003 -10.865 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.706 5.055 -11.421 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.201 5.195 -11.623 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.659 5.134 -10.200 1.00 0.00 C ATOM 0 HA PRO C 37 -12.719 4.312 -9.631 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.192 4.640 -12.304 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.175 6.019 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.800 4.393 -12.243 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.945 6.134 -12.113 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.663 4.691 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.573 6.132 -9.770 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.128 2.157 -10.886 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.340 0.817 -11.422 1.00 0.00 C ATOM 2207 C LYS C 38 -12.832 0.727 -12.862 1.00 0.00 C ATOM 2208 O LYS C 38 -12.875 -0.340 -13.471 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.818 0.439 -11.318 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.247 0.227 -9.859 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.590 -0.982 -9.174 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.220 -2.317 -9.582 1.00 0.00 C ATOM 2213 NZ LYS C 38 -14.848 -2.722 -10.950 1.00 0.00 N ATOM 0 H LYS C 38 -13.989 2.665 -10.682 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.769 0.101 -10.831 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.427 1.224 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -15.002 -0.472 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.010 1.125 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.330 0.104 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.528 -0.998 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.667 -0.866 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.910 -3.091 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.305 -2.240 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -14.672 -3.747 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -15.623 -2.489 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -13.987 -2.216 -11.240 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.354 1.851 -13.406 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.700 1.900 -14.704 1.00 0.00 C ATOM 2229 C ASP C 39 -10.352 1.177 -14.669 1.00 0.00 C ATOM 2230 O ASP C 39 -9.748 0.939 -15.715 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.489 3.370 -15.080 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.069 3.522 -16.539 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.860 3.113 -17.417 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -9.955 4.050 -16.769 1.00 0.00 O ATOM 0 H ASP C 39 -12.415 2.760 -12.946 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.327 1.400 -15.442 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.410 3.926 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.727 3.806 -14.434 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.879 0.820 -13.470 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.617 0.119 -13.265 1.00 0.00 C ATOM 2241 C VAL C 40 -8.788 -0.952 -12.197 1.00 0.00 C ATOM 2242 O VAL C 40 -9.726 -0.900 -11.399 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.491 1.098 -12.882 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.372 2.227 -13.904 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.712 1.727 -11.510 1.00 0.00 C ATOM 0 H VAL C 40 -10.376 1.016 -12.601 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.331 -0.359 -14.202 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.576 0.506 -12.861 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.569 2.903 -13.608 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.150 1.808 -14.885 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.312 2.778 -13.949 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.892 2.409 -11.286 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.652 2.278 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.750 0.944 -10.753 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.878 -1.930 -12.171 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.984 -3.060 -11.263 1.00 0.00 C ATOM 2257 C ALA C 41 -7.051 -2.907 -10.063 1.00 0.00 C ATOM 2258 O ALA C 41 -6.048 -2.199 -10.131 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.635 -4.331 -12.038 1.00 0.00 C ATOM 0 H ALA C 41 -7.057 -1.955 -12.775 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.002 -3.112 -10.877 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.708 -5.193 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.330 -4.453 -12.869 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.618 -4.255 -12.423 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.390 -3.575 -8.957 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.549 -3.621 -7.763 1.00 0.00 C ATOM 2267 C VAL C 42 -6.836 -4.913 -7.006 1.00 0.00 C ATOM 2268 O VAL C 42 -7.995 -5.262 -6.792 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.797 -2.375 -6.905 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.283 -2.117 -6.667 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.119 -2.477 -5.544 1.00 0.00 C ATOM 0 H VAL C 42 -8.260 -4.100 -8.867 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.494 -3.617 -8.036 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.371 -1.549 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.404 -1.224 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.785 -1.971 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.723 -2.972 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.320 -1.573 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.508 -3.343 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.043 -2.588 -5.681 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.786 -5.635 -6.596 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.929 -6.931 -5.937 1.00 0.00 C ATOM 2283 C HIS C 43 -4.696 -7.256 -5.099 1.00 0.00 C ATOM 2284 O HIS C 43 -3.679 -6.574 -5.198 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.051 -8.024 -7.001 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.143 -7.807 -8.006 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.489 -8.122 -7.820 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.967 -7.269 -9.249 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.097 -7.762 -8.963 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.211 -7.248 -9.834 1.00 0.00 N ATOM 0 H HIS C 43 -4.818 -5.335 -6.713 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.812 -6.888 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.101 -8.104 -7.530 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.220 -8.979 -6.503 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.920 -8.537 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.039 -6.929 -9.684 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.154 -7.871 -9.156 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.778 -8.301 -4.266 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.598 -8.821 -3.586 1.00 0.00 C ATOM 2300 C ARG C 44 -2.695 -9.487 -4.621 1.00 0.00 C ATOM 2301 O ARG C 44 -3.136 -9.759 -5.735 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.985 -9.821 -2.492 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.988 -9.209 -1.511 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.115 -10.055 -0.242 1.00 0.00 C ATOM 2305 NE ARG C 44 -5.296 -11.486 -0.528 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.439 -12.052 -0.923 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.540 -11.337 -1.127 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.487 -13.364 -1.119 1.00 0.00 N ATOM 0 H ARG C 44 -5.644 -8.796 -4.052 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.070 -7.999 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.416 -10.713 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.092 -10.138 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.672 -8.200 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.963 -9.122 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.223 -9.921 0.369 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.960 -9.697 0.345 1.00 0.00 H new ATOM 0 HE ARG C 44 -4.485 -12.094 -0.416 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -7.527 -10.327 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -8.399 -11.798 -1.429 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -5.654 -13.933 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.357 -13.803 -1.421 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.439 -9.758 -4.265 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.496 -10.379 -5.186 1.00 0.00 C ATOM 2324 C GLU C 45 -0.940 -11.803 -5.554 1.00 0.00 C ATOM 2325 O GLU C 45 -0.558 -12.311 -6.608 1.00 0.00 O ATOM 2326 CB GLU C 45 0.896 -10.331 -4.546 1.00 0.00 C ATOM 2327 CG GLU C 45 2.007 -10.716 -5.526 1.00 0.00 C ATOM 2328 CD GLU C 45 2.271 -12.219 -5.612 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.761 -12.965 -4.746 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.992 -12.614 -6.558 1.00 0.00 O ATOM 0 H GLU C 45 -1.054 -9.555 -3.343 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.463 -9.833 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.083 -9.326 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.922 -11.005 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.746 -10.347 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.928 -10.213 -5.231 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.742 -12.454 -4.699 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.286 -13.774 -5.002 1.00 0.00 C ATOM 2339 C GLU C 46 -3.395 -13.661 -6.040 1.00 0.00 C ATOM 2340 O GLU C 46 -3.405 -14.357 -7.053 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.904 -14.364 -3.726 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.485 -15.758 -3.968 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.386 -16.781 -4.256 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.658 -17.136 -3.303 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.282 -17.202 -5.432 1.00 0.00 O ATOM 0 H GLU C 46 -2.025 -12.082 -3.792 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.482 -14.405 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.145 -14.417 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.689 -13.701 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.056 -16.072 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.180 -15.723 -4.807 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.340 -12.760 -5.767 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.548 -12.603 -6.554 1.00 0.00 C ATOM 2354 C ILE C 47 -5.241 -11.962 -7.898 1.00 0.00 C ATOM 2355 O ILE C 47 -5.897 -12.275 -8.884 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.538 -11.766 -5.734 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.855 -12.456 -4.400 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.825 -11.539 -6.519 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.244 -13.928 -4.568 1.00 0.00 C ATOM 0 H ILE C 47 -4.280 -12.113 -4.980 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.989 -13.576 -6.773 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.076 -10.801 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.986 -12.388 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.668 -11.925 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.515 -10.943 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.598 -11.011 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.283 -12.500 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.457 -14.362 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.131 -14.000 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.422 -14.471 -5.035 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.248 -11.074 -7.954 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.897 -10.424 -9.205 1.00 0.00 C ATOM 2373 C TYR C 48 -3.582 -11.459 -10.280 1.00 0.00 C ATOM 2374 O TYR C 48 -4.018 -11.322 -11.419 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.683 -9.522 -8.988 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.070 -9.064 -10.290 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.888 -8.628 -11.345 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.679 -9.089 -10.442 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.318 -8.258 -12.572 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.102 -8.704 -11.656 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.916 -8.293 -12.730 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.352 -7.930 -13.917 1.00 0.00 O ATOM 0 H TYR C 48 -3.681 -10.794 -7.154 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.745 -9.826 -9.538 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.980 -8.652 -8.403 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.934 -10.058 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.958 -8.577 -11.211 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.052 -9.406 -9.622 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.949 -7.948 -13.392 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.972 -8.722 -11.771 1.00 0.00 H new ATOM 0 HH TYR C 48 0.623 -8.011 -13.854 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.824 -12.499 -9.921 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.437 -13.521 -10.882 1.00 0.00 C ATOM 2394 C GLN C 49 -3.654 -14.318 -11.349 1.00 0.00 C ATOM 2395 O GLN C 49 -3.608 -14.949 -12.404 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.431 -14.477 -10.232 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.167 -13.744 -9.787 1.00 0.00 C ATOM 2398 CD GLN C 49 0.789 -14.699 -9.083 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.347 -15.604 -9.698 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.979 -14.506 -7.781 1.00 0.00 N ATOM 0 H GLN C 49 -2.471 -12.650 -8.976 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.987 -13.030 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.893 -14.963 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.167 -15.264 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.326 -13.300 -10.652 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.432 -12.926 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.499 -13.744 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.605 -15.120 -7.260 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.742 -14.296 -10.572 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.940 -15.051 -10.895 1.00 0.00 C ATOM 2411 C ARG C 50 -6.800 -14.321 -11.918 1.00 0.00 C ATOM 2412 O ARG C 50 -7.362 -14.964 -12.800 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.723 -15.325 -9.610 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.885 -16.268 -9.917 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.600 -16.626 -8.618 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.767 -17.473 -7.760 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.861 -17.539 -6.428 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.762 -16.811 -5.773 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.049 -18.337 -5.742 1.00 0.00 N ATOM 0 H ARG C 50 -4.809 -13.756 -9.709 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.649 -15.999 -11.347 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.069 -15.768 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.099 -14.390 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.580 -15.794 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.517 -17.171 -10.404 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.864 -15.713 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.532 -17.143 -8.846 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.063 -18.056 -8.213 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.391 -16.194 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.824 -16.870 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.353 -18.900 -6.232 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.121 -18.387 -4.726 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.909 -12.991 -11.822 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.658 -12.225 -12.817 1.00 0.00 C ATOM 2435 C ILE C 51 -6.992 -12.388 -14.186 1.00 0.00 C ATOM 2436 O ILE C 51 -7.610 -12.138 -15.220 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.786 -10.748 -12.396 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.822 -10.567 -11.279 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.279 -9.873 -13.548 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.318 -11.052 -9.925 1.00 0.00 C ATOM 0 H ILE C 51 -6.494 -12.432 -11.076 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.675 -12.611 -12.887 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.788 -10.456 -12.070 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -9.091 -9.513 -11.206 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.730 -11.110 -11.540 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.356 -8.839 -13.212 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.575 -9.933 -14.378 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.258 -10.222 -13.877 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -9.092 -10.900 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -8.075 -12.113 -9.986 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.426 -10.491 -9.647 1.00 0.00 H new