USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 734 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 25 TYR OH : rot -48:sc= 1.31 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -122:sc= -0.164 (180deg=-3.38!) USER MOD Single : A 1 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 1 GLN N :NH3+ -173:sc= 0 (180deg=-0.0443) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 160:sc= -0.0802 (180deg=-0.311) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc=-0.00665 (180deg=-0.128) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -150:sc= -1.02 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.133 (180deg=-0.441) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0631 (180deg=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0514 (180deg=-0.296) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -109:sc= 0.557 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.726) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -116:sc= 2.28 (180deg=0.053) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 40:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.524 -7.887 -7.385 1.00 0.00 N ATOM 2 CA GLN A 1 6.175 -6.724 -8.031 1.00 0.00 C ATOM 3 C GLN A 1 6.921 -5.892 -6.978 1.00 0.00 C ATOM 4 O GLN A 1 6.365 -5.594 -5.916 1.00 0.00 O ATOM 5 CB GLN A 1 5.127 -5.848 -8.778 1.00 0.00 C ATOM 6 CG GLN A 1 4.417 -6.549 -9.958 1.00 0.00 C ATOM 7 CD GLN A 1 5.360 -6.907 -11.113 1.00 0.00 C ATOM 8 OE1 GLN A 1 5.590 -6.101 -12.007 1.00 0.00 O ATOM 9 NE2 GLN A 1 5.895 -8.122 -11.119 1.00 0.00 N ATOM 0 H1 GLN A 1 5.122 -8.509 -8.115 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.228 -8.414 -6.830 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.765 -7.555 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 1 6.892 -7.089 -8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.373 -5.520 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.623 -4.952 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.938 -7.458 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.626 -5.900 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 1 5.688 -8.774 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.513 -8.403 -11.880 1.00 0.00 H new ATOM 20 N GLY A 2 8.175 -5.519 -7.286 1.00 0.00 N ATOM 21 CA GLY A 2 9.004 -4.718 -6.384 1.00 0.00 C ATOM 22 C GLY A 2 9.965 -5.554 -5.555 1.00 0.00 C ATOM 23 O GLY A 2 9.980 -6.786 -5.657 1.00 0.00 O ATOM 0 H GLY A 2 8.635 -5.765 -8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.573 -3.995 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.358 -4.149 -5.716 1.00 0.00 H new ATOM 27 N HIS A 3 10.770 -4.872 -4.731 1.00 0.00 N ATOM 28 CA HIS A 3 11.770 -5.506 -3.853 1.00 0.00 C ATOM 29 C HIS A 3 11.716 -4.862 -2.456 1.00 0.00 C ATOM 30 O HIS A 3 11.664 -3.635 -2.331 1.00 0.00 O ATOM 31 CB HIS A 3 13.196 -5.387 -4.472 1.00 0.00 C ATOM 32 CG HIS A 3 13.643 -3.968 -4.758 1.00 0.00 C ATOM 33 ND1 HIS A 3 13.383 -3.335 -5.950 1.00 0.00 N ATOM 34 CD2 HIS A 3 14.324 -3.063 -4.002 1.00 0.00 C ATOM 35 CE1 HIS A 3 13.874 -2.115 -5.922 1.00 0.00 C ATOM 36 NE2 HIS A 3 14.446 -1.922 -4.750 1.00 0.00 N ATOM 0 H HIS A 3 10.748 -3.855 -4.652 1.00 0.00 H new ATOM 0 HA HIS A 3 11.539 -6.567 -3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.912 -5.850 -3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.223 -5.957 -5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.698 -3.216 -3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.818 -1.393 -6.724 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.905 -1.062 -4.449 1.00 0.00 H new ATOM 45 N MET A 4 11.700 -5.700 -1.414 1.00 0.00 N ATOM 46 CA MET A 4 11.758 -5.243 -0.024 1.00 0.00 C ATOM 47 C MET A 4 13.234 -5.030 0.363 1.00 0.00 C ATOM 48 O MET A 4 13.942 -5.975 0.676 1.00 0.00 O ATOM 49 CB MET A 4 11.056 -6.263 0.920 1.00 0.00 C ATOM 50 CG MET A 4 9.550 -6.429 0.663 1.00 0.00 C ATOM 51 SD MET A 4 8.782 -7.625 1.778 1.00 0.00 S ATOM 52 CE MET A 4 7.063 -7.506 1.283 1.00 0.00 C ATOM 0 H MET A 4 11.646 -6.714 -1.512 1.00 0.00 H new ATOM 0 HA MET A 4 11.225 -4.298 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.540 -7.233 0.812 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.204 -5.946 1.952 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.057 -5.463 0.777 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.394 -6.747 -0.368 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.463 -8.189 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.711 -6.485 1.433 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.968 -7.772 0.230 1.00 0.00 H new ATOM 62 N ASP A 5 13.681 -3.766 0.302 1.00 0.00 N ATOM 63 CA ASP A 5 15.069 -3.353 0.639 1.00 0.00 C ATOM 64 C ASP A 5 15.341 -3.407 2.165 1.00 0.00 C ATOM 65 O ASP A 5 16.452 -3.121 2.616 1.00 0.00 O ATOM 66 CB ASP A 5 15.334 -1.924 0.076 1.00 0.00 C ATOM 67 CG ASP A 5 14.329 -0.874 0.587 1.00 0.00 C ATOM 68 OD1 ASP A 5 13.187 -0.839 0.074 1.00 0.00 O ATOM 69 OD2 ASP A 5 14.662 -0.089 1.502 1.00 0.00 O ATOM 0 H ASP A 5 13.089 -2.987 0.015 1.00 0.00 H new ATOM 0 HA ASP A 5 15.757 -4.060 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.343 -1.615 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.294 -1.956 -1.013 1.00 0.00 H new ATOM 74 N LEU A 6 14.314 -3.785 2.939 1.00 0.00 N ATOM 75 CA LEU A 6 14.382 -3.900 4.404 1.00 0.00 C ATOM 76 C LEU A 6 14.819 -5.323 4.843 1.00 0.00 C ATOM 77 O LEU A 6 15.015 -5.560 6.040 1.00 0.00 O ATOM 78 CB LEU A 6 12.996 -3.548 5.040 1.00 0.00 C ATOM 79 CG LEU A 6 12.461 -2.084 4.852 1.00 0.00 C ATOM 80 CD1 LEU A 6 13.501 -1.038 5.306 1.00 0.00 C ATOM 81 CD2 LEU A 6 11.961 -1.821 3.411 1.00 0.00 C ATOM 0 H LEU A 6 13.398 -4.023 2.559 1.00 0.00 H new ATOM 0 HA LEU A 6 15.132 -3.192 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.254 -4.232 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.056 -3.749 6.110 1.00 0.00 H new ATOM 0 HG LEU A 6 11.592 -1.977 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 6 13.096 -0.036 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 6 13.731 -1.188 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.411 -1.150 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.601 -0.795 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.780 -1.973 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.149 -2.509 3.176 1.00 0.00 H new ATOM 93 N ILE A 7 14.957 -6.266 3.878 1.00 0.00 N ATOM 94 CA ILE A 7 15.294 -7.683 4.174 1.00 0.00 C ATOM 95 C ILE A 7 16.815 -7.858 4.408 1.00 0.00 C ATOM 96 O ILE A 7 17.642 -7.199 3.759 1.00 0.00 O ATOM 97 CB ILE A 7 14.800 -8.662 3.024 1.00 0.00 C ATOM 98 CG1 ILE A 7 14.934 -10.176 3.429 1.00 0.00 C ATOM 99 CG2 ILE A 7 15.534 -8.397 1.689 1.00 0.00 C ATOM 100 CD1 ILE A 7 14.091 -10.599 4.621 1.00 0.00 C ATOM 0 H ILE A 7 14.840 -6.070 2.884 1.00 0.00 H new ATOM 0 HA ILE A 7 14.767 -7.949 5.090 1.00 0.00 H new ATOM 0 HB ILE A 7 13.741 -8.449 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.659 -10.791 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 7 15.980 -10.386 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 7 15.167 -9.087 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 7 15.348 -7.372 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.605 -8.545 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.251 -11.658 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.379 -10.016 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.037 -10.427 4.401 1.00 0.00 H new ATOM 112 N CYS A 8 17.165 -8.739 5.365 1.00 0.00 N ATOM 113 CA CYS A 8 18.546 -9.192 5.581 1.00 0.00 C ATOM 114 C CYS A 8 18.824 -10.365 4.623 1.00 0.00 C ATOM 115 O CYS A 8 18.462 -11.515 4.910 1.00 0.00 O ATOM 116 CB CYS A 8 18.759 -9.606 7.060 1.00 0.00 C ATOM 117 SG CYS A 8 18.323 -8.305 8.238 1.00 0.00 S ATOM 0 H CYS A 8 16.493 -9.156 6.010 1.00 0.00 H new ATOM 0 HA CYS A 8 19.245 -8.382 5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.161 -10.493 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 8 19.803 -9.883 7.206 1.00 0.00 H new ATOM 0 HG CYS A 8 18.527 -8.730 9.449 1.00 0.00 H new ATOM 123 N MET A 9 19.412 -10.051 3.453 1.00 0.00 N ATOM 124 CA MET A 9 19.651 -11.034 2.381 1.00 0.00 C ATOM 125 C MET A 9 20.785 -11.997 2.788 1.00 0.00 C ATOM 126 O MET A 9 21.946 -11.594 2.836 1.00 0.00 O ATOM 127 CB MET A 9 19.992 -10.311 1.042 1.00 0.00 C ATOM 128 CG MET A 9 18.935 -9.294 0.574 1.00 0.00 C ATOM 129 SD MET A 9 19.287 -8.561 -1.045 1.00 0.00 S ATOM 130 CE MET A 9 19.009 -9.941 -2.158 1.00 0.00 C ATOM 0 H MET A 9 19.734 -9.110 3.225 1.00 0.00 H new ATOM 0 HA MET A 9 18.742 -11.615 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.946 -9.797 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.125 -11.062 0.263 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.963 -9.787 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.859 -8.497 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.840 -9.566 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.883 -10.593 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.135 -10.504 -1.829 1.00 0.00 H new ATOM 140 N TYR A 10 20.427 -13.260 3.090 1.00 0.00 N ATOM 141 CA TYR A 10 21.380 -14.272 3.601 1.00 0.00 C ATOM 142 C TYR A 10 22.488 -14.559 2.563 1.00 0.00 C ATOM 143 O TYR A 10 22.202 -14.924 1.413 1.00 0.00 O ATOM 144 CB TYR A 10 20.641 -15.580 3.996 1.00 0.00 C ATOM 145 CG TYR A 10 19.783 -15.473 5.272 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.509 -14.896 5.253 1.00 0.00 C ATOM 147 CD2 TYR A 10 20.256 -15.951 6.497 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.747 -14.806 6.401 1.00 0.00 C ATOM 149 CE2 TYR A 10 19.496 -15.861 7.645 1.00 0.00 C ATOM 150 CZ TYR A 10 18.245 -15.290 7.592 1.00 0.00 C ATOM 151 OH TYR A 10 17.487 -15.208 8.735 1.00 0.00 O ATOM 0 H TYR A 10 19.474 -13.609 2.988 1.00 0.00 H new ATOM 0 HA TYR A 10 21.852 -13.868 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.001 -15.884 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.379 -16.370 4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.114 -14.514 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 10 21.237 -16.400 6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.765 -14.358 6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.881 -16.237 8.581 1.00 0.00 H new ATOM 0 HH TYR A 10 17.984 -15.595 9.486 1.00 0.00 H new ATOM 161 N VAL A 11 23.742 -14.363 2.996 1.00 0.00 N ATOM 162 CA VAL A 11 24.929 -14.447 2.140 1.00 0.00 C ATOM 163 C VAL A 11 25.529 -15.861 2.207 1.00 0.00 C ATOM 164 O VAL A 11 25.703 -16.424 3.291 1.00 0.00 O ATOM 165 CB VAL A 11 25.990 -13.371 2.569 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.275 -13.443 1.712 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.369 -11.951 2.529 1.00 0.00 C ATOM 0 H VAL A 11 23.961 -14.138 3.967 1.00 0.00 H new ATOM 0 HA VAL A 11 24.636 -14.244 1.110 1.00 0.00 H new ATOM 0 HB VAL A 11 26.284 -13.593 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.978 -12.680 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.730 -14.428 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 11 27.024 -13.272 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.118 -11.218 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.030 -11.730 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.522 -11.905 3.213 1.00 0.00 H new ATOM 177 N PHE A 12 25.805 -16.426 1.028 1.00 0.00 N ATOM 178 CA PHE A 12 26.420 -17.745 0.863 1.00 0.00 C ATOM 179 C PHE A 12 27.753 -17.575 0.122 1.00 0.00 C ATOM 180 O PHE A 12 27.794 -16.941 -0.938 1.00 0.00 O ATOM 181 CB PHE A 12 25.479 -18.704 0.071 1.00 0.00 C ATOM 182 CG PHE A 12 24.199 -19.088 0.814 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.113 -18.218 0.865 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.088 -20.317 1.468 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.960 -18.561 1.545 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.932 -20.659 2.145 1.00 0.00 C ATOM 187 CZ PHE A 12 21.869 -19.781 2.185 1.00 0.00 C ATOM 0 H PHE A 12 25.602 -15.967 0.140 1.00 0.00 H new ATOM 0 HA PHE A 12 26.593 -18.188 1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.209 -18.231 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.029 -19.613 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.173 -17.262 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.916 -21.010 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.128 -17.873 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.861 -21.615 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.967 -20.047 2.716 1.00 0.00 H new ATOM 197 N LYS A 13 28.842 -18.116 0.700 1.00 0.00 N ATOM 198 CA LYS A 13 30.171 -18.130 0.067 1.00 0.00 C ATOM 199 C LYS A 13 30.184 -19.259 -0.981 1.00 0.00 C ATOM 200 O LYS A 13 30.512 -20.416 -0.673 1.00 0.00 O ATOM 201 CB LYS A 13 31.310 -18.289 1.147 1.00 0.00 C ATOM 202 CG LYS A 13 32.397 -17.182 1.133 1.00 0.00 C ATOM 203 CD LYS A 13 33.220 -17.150 -0.177 1.00 0.00 C ATOM 204 CE LYS A 13 34.045 -18.435 -0.383 1.00 0.00 C ATOM 205 NZ LYS A 13 35.023 -18.659 0.718 1.00 0.00 N ATOM 0 H LYS A 13 28.823 -18.556 1.620 1.00 0.00 H new ATOM 0 HA LYS A 13 30.369 -17.182 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.850 -18.311 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.796 -19.254 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.920 -16.213 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.072 -17.335 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.546 -17.014 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.890 -16.290 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.372 -19.290 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 13 34.577 -18.375 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.657 -19.444 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.583 -17.795 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.513 -18.894 1.593 1.00 0.00 H new ATOM 219 N GLY A 14 29.742 -18.912 -2.200 1.00 0.00 N ATOM 220 CA GLY A 14 29.535 -19.890 -3.252 1.00 0.00 C ATOM 221 C GLY A 14 28.288 -20.716 -2.956 1.00 0.00 C ATOM 222 O GLY A 14 27.168 -20.287 -3.253 1.00 0.00 O ATOM 0 H GLY A 14 29.523 -17.953 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.428 -19.386 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.404 -20.543 -3.329 1.00 0.00 H new ATOM 226 N GLU A 15 28.490 -21.882 -2.319 1.00 0.00 N ATOM 227 CA GLU A 15 27.403 -22.812 -1.937 1.00 0.00 C ATOM 228 C GLU A 15 27.223 -22.885 -0.404 1.00 0.00 C ATOM 229 O GLU A 15 26.114 -23.163 0.080 1.00 0.00 O ATOM 230 CB GLU A 15 27.693 -24.220 -2.526 1.00 0.00 C ATOM 231 CG GLU A 15 27.694 -24.243 -4.063 1.00 0.00 C ATOM 232 CD GLU A 15 28.009 -25.617 -4.661 1.00 0.00 C ATOM 233 OE1 GLU A 15 27.082 -26.442 -4.819 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.184 -25.871 -4.993 1.00 0.00 O ATOM 0 H GLU A 15 29.417 -22.212 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 15 26.468 -22.434 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.660 -24.567 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.944 -24.922 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.718 -23.916 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.426 -23.522 -4.427 1.00 0.00 H new ATOM 241 N GLU A 16 28.304 -22.627 0.362 1.00 0.00 N ATOM 242 CA GLU A 16 28.283 -22.777 1.838 1.00 0.00 C ATOM 243 C GLU A 16 27.652 -21.535 2.489 1.00 0.00 C ATOM 244 O GLU A 16 27.799 -20.420 1.977 1.00 0.00 O ATOM 245 CB GLU A 16 29.716 -23.023 2.388 1.00 0.00 C ATOM 246 CG GLU A 16 30.694 -21.850 2.183 1.00 0.00 C ATOM 247 CD GLU A 16 32.147 -22.214 2.508 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.842 -22.748 1.616 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.595 -21.978 3.650 1.00 0.00 O ATOM 0 H GLU A 16 29.200 -22.315 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 16 27.675 -23.646 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.649 -23.240 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.128 -23.910 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.633 -21.511 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.386 -21.014 2.811 1.00 0.00 H new ATOM 256 N SER A 17 26.931 -21.740 3.605 1.00 0.00 N ATOM 257 CA SER A 17 26.294 -20.649 4.357 1.00 0.00 C ATOM 258 C SER A 17 27.378 -19.798 5.042 1.00 0.00 C ATOM 259 O SER A 17 28.098 -20.289 5.916 1.00 0.00 O ATOM 260 CB SER A 17 25.295 -21.231 5.385 1.00 0.00 C ATOM 261 OG SER A 17 24.547 -20.206 6.016 1.00 0.00 O ATOM 0 H SER A 17 26.775 -22.664 4.008 1.00 0.00 H new ATOM 0 HA SER A 17 25.735 -20.006 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.617 -21.923 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.837 -21.804 6.137 1.00 0.00 H new ATOM 0 HG SER A 17 23.923 -20.604 6.659 1.00 0.00 H new ATOM 267 N PHE A 18 27.510 -18.534 4.603 1.00 0.00 N ATOM 268 CA PHE A 18 28.568 -17.626 5.075 1.00 0.00 C ATOM 269 C PHE A 18 28.059 -16.767 6.246 1.00 0.00 C ATOM 270 O PHE A 18 28.710 -16.685 7.294 1.00 0.00 O ATOM 271 CB PHE A 18 29.052 -16.735 3.901 1.00 0.00 C ATOM 272 CG PHE A 18 30.270 -15.870 4.214 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.440 -16.447 4.717 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.254 -14.489 4.010 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.548 -15.673 5.002 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.366 -13.717 4.293 1.00 0.00 C ATOM 277 CZ PHE A 18 32.510 -14.311 4.791 1.00 0.00 C ATOM 0 H PHE A 18 26.887 -18.115 3.913 1.00 0.00 H new ATOM 0 HA PHE A 18 29.411 -18.215 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.287 -17.375 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.232 -16.086 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.478 -17.513 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.361 -14.017 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.444 -16.135 5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.340 -12.650 4.125 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.377 -13.707 5.016 1.00 0.00 H new ATOM 287 N GLY A 19 26.888 -16.140 6.048 1.00 0.00 N ATOM 288 CA GLY A 19 26.284 -15.273 7.056 1.00 0.00 C ATOM 289 C GLY A 19 25.022 -14.596 6.536 1.00 0.00 C ATOM 290 O GLY A 19 24.217 -15.220 5.833 1.00 0.00 O ATOM 0 H GLY A 19 26.342 -16.223 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.043 -15.859 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.004 -14.514 7.362 1.00 0.00 H new ATOM 294 N GLU A 20 24.877 -13.303 6.855 1.00 0.00 N ATOM 295 CA GLU A 20 23.705 -12.486 6.493 1.00 0.00 C ATOM 296 C GLU A 20 24.153 -11.072 6.101 1.00 0.00 C ATOM 297 O GLU A 20 25.109 -10.542 6.673 1.00 0.00 O ATOM 298 CB GLU A 20 22.714 -12.420 7.701 1.00 0.00 C ATOM 299 CG GLU A 20 23.379 -12.030 9.045 1.00 0.00 C ATOM 300 CD GLU A 20 22.407 -11.698 10.189 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.398 -12.408 10.359 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.664 -10.728 10.952 1.00 0.00 O ATOM 0 H GLU A 20 25.581 -12.784 7.380 1.00 0.00 H new ATOM 0 HA GLU A 20 23.199 -12.943 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.929 -11.699 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.232 -13.391 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.023 -12.850 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.023 -11.167 8.876 1.00 0.00 H new ATOM 309 N SER A 21 23.473 -10.472 5.118 1.00 0.00 N ATOM 310 CA SER A 21 23.671 -9.059 4.765 1.00 0.00 C ATOM 311 C SER A 21 22.955 -8.182 5.799 1.00 0.00 C ATOM 312 O SER A 21 21.935 -8.591 6.370 1.00 0.00 O ATOM 313 CB SER A 21 23.130 -8.764 3.347 1.00 0.00 C ATOM 314 OG SER A 21 23.239 -7.389 3.019 1.00 0.00 O ATOM 0 H SER A 21 22.774 -10.947 4.547 1.00 0.00 H new ATOM 0 HA SER A 21 24.738 -8.836 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.681 -9.357 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.086 -9.071 3.285 1.00 0.00 H new ATOM 0 HG SER A 21 22.519 -7.142 2.402 1.00 0.00 H new ATOM 320 N ILE A 22 23.491 -6.983 6.030 1.00 0.00 N ATOM 321 CA ILE A 22 22.934 -6.025 6.999 1.00 0.00 C ATOM 322 C ILE A 22 22.910 -4.625 6.361 1.00 0.00 C ATOM 323 O ILE A 22 21.923 -3.886 6.500 1.00 0.00 O ATOM 324 CB ILE A 22 23.749 -6.074 8.364 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.144 -5.156 9.501 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.245 -5.790 8.135 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.595 -3.695 9.516 1.00 0.00 C ATOM 0 H ILE A 22 24.326 -6.644 5.552 1.00 0.00 H new ATOM 0 HA ILE A 22 21.908 -6.293 7.251 1.00 0.00 H new ATOM 0 HB ILE A 22 23.651 -7.095 8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.058 -5.176 9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.394 -5.599 10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.773 -5.831 9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.658 -6.538 7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.364 -4.799 7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.110 -3.173 10.341 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.677 -3.649 9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.320 -3.220 8.574 1.00 0.00 H new ATOM 339 N ASP A 23 23.979 -4.285 5.612 1.00 0.00 N ATOM 340 CA ASP A 23 24.136 -2.942 5.007 1.00 0.00 C ATOM 341 C ASP A 23 24.975 -3.051 3.721 1.00 0.00 C ATOM 342 O ASP A 23 25.509 -4.116 3.413 1.00 0.00 O ATOM 343 CB ASP A 23 24.785 -1.978 6.055 1.00 0.00 C ATOM 344 CG ASP A 23 24.842 -0.495 5.624 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.845 0.233 5.820 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.879 -0.046 5.088 1.00 0.00 O ATOM 0 H ASP A 23 24.749 -4.922 5.410 1.00 0.00 H new ATOM 0 HA ASP A 23 23.165 -2.531 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.226 -2.049 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.799 -2.320 6.264 1.00 0.00 H new ATOM 351 N VAL A 24 25.031 -1.952 2.947 1.00 0.00 N ATOM 352 CA VAL A 24 25.912 -1.812 1.777 1.00 0.00 C ATOM 353 C VAL A 24 26.171 -0.315 1.518 1.00 0.00 C ATOM 354 O VAL A 24 25.226 0.475 1.384 1.00 0.00 O ATOM 355 CB VAL A 24 25.332 -2.529 0.488 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.864 -2.127 0.213 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.242 -2.290 -0.752 1.00 0.00 C ATOM 0 H VAL A 24 24.458 -1.126 3.120 1.00 0.00 H new ATOM 0 HA VAL A 24 26.854 -2.313 1.997 1.00 0.00 H new ATOM 0 HB VAL A 24 25.330 -3.601 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.507 -2.641 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.245 -2.406 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.805 -1.050 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.816 -2.795 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.311 -1.221 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.238 -2.687 -0.554 1.00 0.00 H new ATOM 367 N TYR A 25 27.456 0.085 1.505 1.00 0.00 N ATOM 368 CA TYR A 25 27.872 1.462 1.176 1.00 0.00 C ATOM 369 C TYR A 25 28.879 1.404 0.014 1.00 0.00 C ATOM 370 O TYR A 25 29.815 0.585 0.034 1.00 0.00 O ATOM 371 CB TYR A 25 28.457 2.192 2.432 1.00 0.00 C ATOM 372 CG TYR A 25 29.891 1.801 2.844 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.185 0.538 3.357 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.956 2.701 2.698 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.479 0.188 3.705 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.248 2.348 3.043 1.00 0.00 C ATOM 377 CZ TYR A 25 32.504 1.090 3.547 1.00 0.00 C ATOM 378 OH TYR A 25 33.794 0.732 3.881 1.00 0.00 O ATOM 0 H TYR A 25 28.235 -0.537 1.722 1.00 0.00 H new ATOM 0 HA TYR A 25 27.007 2.047 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.436 3.266 2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.795 2.003 3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.389 -0.180 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.764 3.690 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.683 -0.796 4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.054 3.056 2.918 1.00 0.00 H new ATOM 0 HH TYR A 25 33.799 0.319 4.770 1.00 0.00 H new ATOM 388 N GLY A 26 28.665 2.258 -0.994 1.00 0.00 N ATOM 389 CA GLY A 26 29.546 2.352 -2.152 1.00 0.00 C ATOM 390 C GLY A 26 29.651 1.064 -2.958 1.00 0.00 C ATOM 391 O GLY A 26 28.716 0.689 -3.665 1.00 0.00 O ATOM 0 H GLY A 26 27.874 2.901 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.188 3.148 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.542 2.640 -1.815 1.00 0.00 H new ATOM 395 N ASP A 27 30.800 0.377 -2.822 1.00 0.00 N ATOM 396 CA ASP A 27 31.102 -0.867 -3.561 1.00 0.00 C ATOM 397 C ASP A 27 31.321 -2.050 -2.607 1.00 0.00 C ATOM 398 O ASP A 27 31.866 -3.083 -3.018 1.00 0.00 O ATOM 399 CB ASP A 27 32.361 -0.667 -4.453 1.00 0.00 C ATOM 400 CG ASP A 27 32.167 0.412 -5.528 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.286 0.236 -6.393 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.885 1.437 -5.508 1.00 0.00 O ATOM 0 H ASP A 27 31.549 0.669 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 27 30.243 -1.097 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.208 -0.396 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.612 -1.612 -4.935 1.00 0.00 H new ATOM 407 N TYR A 28 30.865 -1.927 -1.345 1.00 0.00 N ATOM 408 CA TYR A 28 31.093 -2.960 -0.314 1.00 0.00 C ATOM 409 C TYR A 28 29.800 -3.284 0.452 1.00 0.00 C ATOM 410 O TYR A 28 29.256 -2.439 1.178 1.00 0.00 O ATOM 411 CB TYR A 28 32.236 -2.530 0.647 1.00 0.00 C ATOM 412 CG TYR A 28 33.604 -2.497 -0.049 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.272 -3.688 -0.351 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.204 -1.299 -0.439 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.485 -3.680 -1.005 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.416 -1.292 -1.102 1.00 0.00 C ATOM 417 CZ TYR A 28 36.049 -2.483 -1.379 1.00 0.00 C ATOM 418 OH TYR A 28 37.247 -2.477 -2.050 1.00 0.00 O ATOM 0 H TYR A 28 30.335 -1.121 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 28 31.404 -3.876 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.014 -1.543 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.277 -3.220 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.829 -4.631 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.713 -0.362 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 28 35.990 -4.609 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.865 -0.357 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 28 37.509 -1.553 -2.243 1.00 0.00 H new ATOM 428 N LEU A 29 29.321 -4.523 0.241 1.00 0.00 N ATOM 429 CA LEU A 29 28.189 -5.121 0.952 1.00 0.00 C ATOM 430 C LEU A 29 28.646 -5.593 2.343 1.00 0.00 C ATOM 431 O LEU A 29 29.441 -6.535 2.453 1.00 0.00 O ATOM 432 CB LEU A 29 27.642 -6.326 0.132 1.00 0.00 C ATOM 433 CG LEU A 29 26.426 -7.089 0.752 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.152 -6.226 0.732 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.194 -8.447 0.053 1.00 0.00 C ATOM 0 H LEU A 29 29.728 -5.151 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 29 27.398 -4.381 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.353 -5.965 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.454 -7.038 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 29 26.668 -7.294 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.326 -6.786 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.320 -5.316 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.907 -5.963 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.341 -8.950 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.994 -8.282 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.083 -9.069 0.162 1.00 0.00 H new ATOM 447 N ILE A 30 28.150 -4.920 3.385 1.00 0.00 N ATOM 448 CA ILE A 30 28.446 -5.255 4.783 1.00 0.00 C ATOM 449 C ILE A 30 27.714 -6.555 5.176 1.00 0.00 C ATOM 450 O ILE A 30 26.467 -6.583 5.241 1.00 0.00 O ATOM 451 CB ILE A 30 28.009 -4.093 5.752 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.573 -2.721 5.276 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.436 -4.392 7.209 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.080 -2.643 5.266 1.00 0.00 C ATOM 0 H ILE A 30 27.526 -4.120 3.282 1.00 0.00 H new ATOM 0 HA ILE A 30 29.523 -5.394 4.876 1.00 0.00 H new ATOM 0 HB ILE A 30 26.921 -4.033 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.203 -2.517 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.184 -1.936 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.121 -3.573 7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.968 -5.318 7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.520 -4.496 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.391 -1.656 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.460 -2.813 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.479 -3.403 4.595 1.00 0.00 H new ATOM 466 N VAL A 31 28.508 -7.620 5.411 1.00 0.00 N ATOM 467 CA VAL A 31 28.018 -8.952 5.794 1.00 0.00 C ATOM 468 C VAL A 31 28.404 -9.252 7.254 1.00 0.00 C ATOM 469 O VAL A 31 29.578 -9.158 7.626 1.00 0.00 O ATOM 470 CB VAL A 31 28.604 -10.074 4.848 1.00 0.00 C ATOM 471 CG1 VAL A 31 28.071 -11.482 5.222 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.328 -9.733 3.361 1.00 0.00 C ATOM 0 H VAL A 31 29.524 -7.573 5.338 1.00 0.00 H new ATOM 0 HA VAL A 31 26.933 -8.953 5.693 1.00 0.00 H new ATOM 0 HB VAL A 31 29.684 -10.101 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.498 -12.224 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.355 -11.718 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.985 -11.495 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.739 -10.517 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.253 -9.660 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.798 -8.781 3.113 1.00 0.00 H new ATOM 482 N LYS A 32 27.397 -9.601 8.065 1.00 0.00 N ATOM 483 CA LYS A 32 27.583 -10.106 9.435 1.00 0.00 C ATOM 484 C LYS A 32 28.104 -11.554 9.376 1.00 0.00 C ATOM 485 O LYS A 32 27.449 -12.431 8.792 1.00 0.00 O ATOM 486 CB LYS A 32 26.231 -10.057 10.208 1.00 0.00 C ATOM 487 CG LYS A 32 26.163 -10.909 11.512 1.00 0.00 C ATOM 488 CD LYS A 32 26.998 -10.351 12.690 1.00 0.00 C ATOM 489 CE LYS A 32 26.409 -9.050 13.241 1.00 0.00 C ATOM 490 NZ LYS A 32 24.976 -9.198 13.627 1.00 0.00 N ATOM 0 H LYS A 32 26.418 -9.541 7.786 1.00 0.00 H new ATOM 0 HA LYS A 32 28.307 -9.481 9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.018 -9.019 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.439 -10.390 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.122 -10.986 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.504 -11.920 11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.045 -11.094 13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.021 -10.174 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.986 -8.731 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 32 26.502 -8.265 12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.700 -8.410 14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.384 -9.190 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.843 -10.098 14.131 1.00 0.00 H new ATOM 504 N VAL A 33 29.299 -11.772 9.956 1.00 0.00 N ATOM 505 CA VAL A 33 29.912 -13.102 10.132 1.00 0.00 C ATOM 506 C VAL A 33 30.541 -13.201 11.538 1.00 0.00 C ATOM 507 O VAL A 33 31.230 -12.276 11.993 1.00 0.00 O ATOM 508 CB VAL A 33 30.988 -13.420 9.023 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.315 -13.696 7.661 1.00 0.00 C ATOM 510 CG2 VAL A 33 32.031 -12.278 8.898 1.00 0.00 C ATOM 0 H VAL A 33 29.876 -11.015 10.322 1.00 0.00 H new ATOM 0 HA VAL A 33 29.123 -13.847 10.028 1.00 0.00 H new ATOM 0 HB VAL A 33 31.518 -14.321 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.079 -13.912 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.645 -14.551 7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.745 -12.820 7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.757 -12.531 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.525 -11.350 8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.545 -12.149 9.850 1.00 0.00 H new ATOM 520 N GLY A 34 30.272 -14.331 12.222 1.00 0.00 N ATOM 521 CA GLY A 34 30.758 -14.572 13.579 1.00 0.00 C ATOM 522 C GLY A 34 30.147 -13.601 14.587 1.00 0.00 C ATOM 523 O GLY A 34 28.998 -13.766 15.001 1.00 0.00 O ATOM 0 H GLY A 34 29.713 -15.095 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.522 -15.595 13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.844 -14.478 13.597 1.00 0.00 H new ATOM 527 N THR A 35 30.918 -12.564 14.944 1.00 0.00 N ATOM 528 CA THR A 35 30.511 -11.501 15.886 1.00 0.00 C ATOM 529 C THR A 35 30.657 -10.102 15.241 1.00 0.00 C ATOM 530 O THR A 35 30.157 -9.110 15.787 1.00 0.00 O ATOM 531 CB THR A 35 31.383 -11.575 17.188 1.00 0.00 C ATOM 532 OG1 THR A 35 32.777 -11.627 16.834 1.00 0.00 O ATOM 533 CG2 THR A 35 31.034 -12.795 18.066 1.00 0.00 C ATOM 0 H THR A 35 31.862 -12.434 14.581 1.00 0.00 H new ATOM 0 HA THR A 35 29.463 -11.657 16.140 1.00 0.00 H new ATOM 0 HB THR A 35 31.169 -10.679 17.771 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.320 -11.671 17.649 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.667 -12.798 18.953 1.00 0.00 H new ATOM 0 HG22 THR A 35 29.988 -12.740 18.367 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.201 -13.711 17.499 1.00 0.00 H new ATOM 541 N GLU A 36 31.334 -10.035 14.069 1.00 0.00 N ATOM 542 CA GLU A 36 31.717 -8.760 13.415 1.00 0.00 C ATOM 543 C GLU A 36 31.188 -8.676 11.967 1.00 0.00 C ATOM 544 O GLU A 36 30.385 -9.508 11.537 1.00 0.00 O ATOM 545 CB GLU A 36 33.260 -8.575 13.456 1.00 0.00 C ATOM 546 CG GLU A 36 33.834 -8.364 14.864 1.00 0.00 C ATOM 547 CD GLU A 36 35.339 -8.083 14.850 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.740 -6.914 14.659 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.129 -9.032 15.033 1.00 0.00 O ATOM 0 H GLU A 36 31.630 -10.862 13.551 1.00 0.00 H new ATOM 0 HA GLU A 36 31.253 -7.947 13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.731 -9.452 13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.528 -7.720 12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.317 -7.532 15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.639 -9.250 15.468 1.00 0.00 H new ATOM 556 N PHE A 37 31.634 -7.623 11.243 1.00 0.00 N ATOM 557 CA PHE A 37 31.169 -7.298 9.885 1.00 0.00 C ATOM 558 C PHE A 37 32.353 -7.296 8.895 1.00 0.00 C ATOM 559 O PHE A 37 33.241 -6.439 8.981 1.00 0.00 O ATOM 560 CB PHE A 37 30.486 -5.905 9.897 1.00 0.00 C ATOM 561 CG PHE A 37 29.314 -5.782 10.877 1.00 0.00 C ATOM 562 CD1 PHE A 37 28.020 -6.116 10.490 1.00 0.00 C ATOM 563 CD2 PHE A 37 29.510 -5.327 12.185 1.00 0.00 C ATOM 564 CE1 PHE A 37 26.964 -5.999 11.371 1.00 0.00 C ATOM 565 CE2 PHE A 37 28.451 -5.212 13.064 1.00 0.00 C ATOM 566 CZ PHE A 37 27.178 -5.546 12.654 1.00 0.00 C ATOM 0 H PHE A 37 32.335 -6.971 11.595 1.00 0.00 H new ATOM 0 HA PHE A 37 30.453 -8.054 9.563 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.232 -5.150 10.146 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.128 -5.681 8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 37 27.839 -6.472 9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.504 -5.062 12.512 1.00 0.00 H new ATOM 0 HE1 PHE A 37 25.966 -6.264 11.053 1.00 0.00 H new ATOM 0 HE2 PHE A 37 28.620 -4.861 14.071 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.348 -5.452 13.339 1.00 0.00 H new ATOM 576 N LEU A 38 32.370 -8.282 7.981 1.00 0.00 N ATOM 577 CA LEU A 38 33.315 -8.346 6.849 1.00 0.00 C ATOM 578 C LEU A 38 32.572 -7.894 5.582 1.00 0.00 C ATOM 579 O LEU A 38 31.588 -8.521 5.172 1.00 0.00 O ATOM 580 CB LEU A 38 33.902 -9.785 6.678 1.00 0.00 C ATOM 581 CG LEU A 38 35.167 -10.131 7.540 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.939 -9.932 9.059 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.669 -11.562 7.231 1.00 0.00 C ATOM 0 H LEU A 38 31.720 -9.068 8.007 1.00 0.00 H new ATOM 0 HA LEU A 38 34.162 -7.686 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 38 33.119 -10.504 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.155 -9.928 5.627 1.00 0.00 H new ATOM 0 HG LEU A 38 35.943 -9.421 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.850 -10.188 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.680 -8.891 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.126 -10.577 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.546 -11.779 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.882 -12.281 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.933 -11.635 6.176 1.00 0.00 H new ATOM 595 N ALA A 39 33.043 -6.787 4.995 1.00 0.00 N ATOM 596 CA ALA A 39 32.410 -6.148 3.837 1.00 0.00 C ATOM 597 C ALA A 39 32.963 -6.719 2.525 1.00 0.00 C ATOM 598 O ALA A 39 34.119 -6.460 2.162 1.00 0.00 O ATOM 599 CB ALA A 39 32.637 -4.636 3.901 1.00 0.00 C ATOM 0 H ALA A 39 33.883 -6.305 5.315 1.00 0.00 H new ATOM 0 HA ALA A 39 31.340 -6.353 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.167 -4.161 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.200 -4.241 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.707 -4.428 3.891 1.00 0.00 H new ATOM 605 N VAL A 40 32.131 -7.503 1.827 1.00 0.00 N ATOM 606 CA VAL A 40 32.489 -8.122 0.541 1.00 0.00 C ATOM 607 C VAL A 40 32.259 -7.112 -0.613 1.00 0.00 C ATOM 608 O VAL A 40 31.280 -6.362 -0.578 1.00 0.00 O ATOM 609 CB VAL A 40 31.664 -9.452 0.302 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.848 -10.417 1.495 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.159 -9.180 0.037 1.00 0.00 C ATOM 0 H VAL A 40 31.186 -7.728 2.139 1.00 0.00 H new ATOM 0 HA VAL A 40 33.545 -8.390 0.565 1.00 0.00 H new ATOM 0 HB VAL A 40 32.059 -9.920 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.276 -11.328 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.904 -10.667 1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.495 -9.938 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.640 -10.126 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.725 -8.667 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.053 -8.556 -0.850 1.00 0.00 H new ATOM 621 N PRO A 41 33.173 -7.033 -1.634 1.00 0.00 N ATOM 622 CA PRO A 41 32.976 -6.141 -2.802 1.00 0.00 C ATOM 623 C PRO A 41 31.833 -6.618 -3.729 1.00 0.00 C ATOM 624 O PRO A 41 31.479 -7.805 -3.754 1.00 0.00 O ATOM 625 CB PRO A 41 34.352 -6.159 -3.511 1.00 0.00 C ATOM 626 CG PRO A 41 34.955 -7.470 -3.122 1.00 0.00 C ATOM 627 CD PRO A 41 34.472 -7.755 -1.712 1.00 0.00 C ATOM 0 HA PRO A 41 32.668 -5.137 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.243 -6.078 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.975 -5.324 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.645 -8.260 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.043 -7.424 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.347 -8.824 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.178 -7.392 -0.965 1.00 0.00 H new ATOM 635 N LYS A 42 31.270 -5.664 -4.486 1.00 0.00 N ATOM 636 CA LYS A 42 30.168 -5.905 -5.446 1.00 0.00 C ATOM 637 C LYS A 42 30.642 -6.752 -6.646 1.00 0.00 C ATOM 638 O LYS A 42 29.863 -7.496 -7.250 1.00 0.00 O ATOM 639 CB LYS A 42 29.584 -4.546 -5.919 1.00 0.00 C ATOM 640 CG LYS A 42 28.997 -3.682 -4.779 1.00 0.00 C ATOM 641 CD LYS A 42 27.692 -4.255 -4.179 1.00 0.00 C ATOM 642 CE LYS A 42 26.531 -4.252 -5.192 1.00 0.00 C ATOM 643 NZ LYS A 42 26.269 -2.883 -5.715 1.00 0.00 N ATOM 0 H LYS A 42 31.567 -4.689 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 42 29.385 -6.472 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.368 -3.981 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.804 -4.735 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.740 -3.586 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.803 -2.678 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.869 -5.274 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.409 -3.669 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.767 -4.920 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.630 -4.640 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.350 -2.867 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.255 -2.206 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.019 -2.618 -6.385 1.00 0.00 H new ATOM 657 N LYS A 43 31.938 -6.630 -6.964 1.00 0.00 N ATOM 658 CA LYS A 43 32.602 -7.418 -8.025 1.00 0.00 C ATOM 659 C LYS A 43 32.855 -8.882 -7.575 1.00 0.00 C ATOM 660 O LYS A 43 33.259 -9.715 -8.389 1.00 0.00 O ATOM 661 CB LYS A 43 33.935 -6.731 -8.416 1.00 0.00 C ATOM 662 CG LYS A 43 34.925 -6.599 -7.246 1.00 0.00 C ATOM 663 CD LYS A 43 36.180 -5.776 -7.591 1.00 0.00 C ATOM 664 CE LYS A 43 37.161 -5.717 -6.411 1.00 0.00 C ATOM 665 NZ LYS A 43 37.608 -7.078 -5.999 1.00 0.00 N ATOM 0 H LYS A 43 32.564 -5.978 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 43 31.943 -7.456 -8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.406 -7.300 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.720 -5.739 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.417 -6.134 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.231 -7.595 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.677 -6.215 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.886 -4.764 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.028 -5.117 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.685 -5.219 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.445 -6.998 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.842 -7.552 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.849 -7.635 -6.844 1.00 0.00 H new ATOM 679 N SER A 44 32.635 -9.179 -6.273 1.00 0.00 N ATOM 680 CA SER A 44 32.744 -10.549 -5.729 1.00 0.00 C ATOM 681 C SER A 44 31.403 -11.301 -5.847 1.00 0.00 C ATOM 682 O SER A 44 31.387 -12.531 -5.780 1.00 0.00 O ATOM 683 CB SER A 44 33.214 -10.525 -4.250 1.00 0.00 C ATOM 684 OG SER A 44 33.440 -11.834 -3.744 1.00 0.00 O ATOM 0 H SER A 44 32.379 -8.480 -5.576 1.00 0.00 H new ATOM 0 HA SER A 44 33.490 -11.079 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.131 -9.942 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.463 -10.024 -3.639 1.00 0.00 H new ATOM 0 HG SER A 44 33.736 -11.778 -2.811 1.00 0.00 H new ATOM 690 N ILE A 45 30.283 -10.551 -6.031 1.00 0.00 N ATOM 691 CA ILE A 45 28.930 -11.150 -6.094 1.00 0.00 C ATOM 692 C ILE A 45 28.843 -12.062 -7.335 1.00 0.00 C ATOM 693 O ILE A 45 28.920 -11.580 -8.472 1.00 0.00 O ATOM 694 CB ILE A 45 27.778 -10.060 -6.157 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.950 -8.956 -5.054 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.372 -10.724 -6.072 1.00 0.00 C ATOM 697 CD1 ILE A 45 27.914 -9.436 -3.614 1.00 0.00 C ATOM 0 H ILE A 45 30.294 -9.537 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 45 28.780 -11.721 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 45 27.860 -9.563 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 45 28.900 -8.449 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.164 -8.213 -5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.602 -9.953 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.244 -11.414 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.284 -11.270 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.043 -8.586 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 45 26.955 -9.914 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.718 -10.153 -3.449 1.00 0.00 H new ATOM 709 N LYS A 46 28.718 -13.377 -7.094 1.00 0.00 N ATOM 710 CA LYS A 46 28.563 -14.389 -8.156 1.00 0.00 C ATOM 711 C LYS A 46 27.176 -14.266 -8.808 1.00 0.00 C ATOM 712 O LYS A 46 27.043 -14.274 -10.040 1.00 0.00 O ATOM 713 CB LYS A 46 28.747 -15.822 -7.574 1.00 0.00 C ATOM 714 CG LYS A 46 30.137 -16.150 -6.954 1.00 0.00 C ATOM 715 CD LYS A 46 31.278 -16.384 -7.990 1.00 0.00 C ATOM 716 CE LYS A 46 31.936 -15.096 -8.528 1.00 0.00 C ATOM 717 NZ LYS A 46 32.853 -15.378 -9.666 1.00 0.00 N ATOM 0 H LYS A 46 28.721 -13.772 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 46 29.329 -14.215 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.987 -15.979 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.551 -16.541 -8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.427 -15.332 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.041 -17.041 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.047 -17.003 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.876 -16.949 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 31.162 -14.399 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.491 -14.609 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 33.276 -14.488 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.606 -16.023 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.319 -15.820 -10.441 1.00 0.00 H new ATOM 731 N SER A 47 26.158 -14.131 -7.949 1.00 0.00 N ATOM 732 CA SER A 47 24.763 -14.079 -8.364 1.00 0.00 C ATOM 733 C SER A 47 23.920 -13.438 -7.257 1.00 0.00 C ATOM 734 O SER A 47 24.214 -13.602 -6.067 1.00 0.00 O ATOM 735 CB SER A 47 24.245 -15.504 -8.679 1.00 0.00 C ATOM 736 OG SER A 47 22.956 -15.471 -9.270 1.00 0.00 O ATOM 0 H SER A 47 26.287 -14.055 -6.940 1.00 0.00 H new ATOM 0 HA SER A 47 24.681 -13.475 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.942 -16.005 -9.351 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.210 -16.091 -7.761 1.00 0.00 H new ATOM 0 HG SER A 47 22.295 -15.811 -8.632 1.00 0.00 H new ATOM 742 N VAL A 48 22.885 -12.696 -7.663 1.00 0.00 N ATOM 743 CA VAL A 48 21.896 -12.116 -6.744 1.00 0.00 C ATOM 744 C VAL A 48 20.550 -12.847 -6.930 1.00 0.00 C ATOM 745 O VAL A 48 20.000 -12.904 -8.037 1.00 0.00 O ATOM 746 CB VAL A 48 21.751 -10.550 -6.939 1.00 0.00 C ATOM 747 CG1 VAL A 48 21.446 -10.160 -8.415 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.703 -9.950 -5.955 1.00 0.00 C ATOM 0 H VAL A 48 22.707 -12.479 -8.644 1.00 0.00 H new ATOM 0 HA VAL A 48 22.239 -12.257 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 48 22.719 -10.111 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 48 21.356 -9.077 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 48 22.256 -10.505 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.512 -10.625 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.628 -8.874 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.732 -10.412 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 48 21.015 -10.143 -4.929 1.00 0.00 H new ATOM 758 N GLU A 49 20.070 -13.472 -5.844 1.00 0.00 N ATOM 759 CA GLU A 49 18.769 -14.164 -5.803 1.00 0.00 C ATOM 760 C GLU A 49 17.752 -13.298 -5.035 1.00 0.00 C ATOM 761 O GLU A 49 18.139 -12.333 -4.349 1.00 0.00 O ATOM 762 CB GLU A 49 18.926 -15.544 -5.105 1.00 0.00 C ATOM 763 CG GLU A 49 20.033 -16.459 -5.679 1.00 0.00 C ATOM 764 CD GLU A 49 19.797 -16.859 -7.146 1.00 0.00 C ATOM 765 OE1 GLU A 49 18.949 -17.740 -7.406 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.456 -16.301 -8.046 1.00 0.00 O ATOM 0 H GLU A 49 20.578 -13.513 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 49 18.411 -14.323 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.130 -15.376 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 17.975 -16.072 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.993 -15.949 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.100 -17.361 -5.071 1.00 0.00 H new ATOM 773 N ASP A 50 16.462 -13.648 -5.146 1.00 0.00 N ATOM 774 CA ASP A 50 15.387 -12.992 -4.385 1.00 0.00 C ATOM 775 C ASP A 50 15.577 -13.271 -2.872 1.00 0.00 C ATOM 776 O ASP A 50 15.369 -14.393 -2.394 1.00 0.00 O ATOM 777 CB ASP A 50 13.986 -13.445 -4.909 1.00 0.00 C ATOM 778 CG ASP A 50 13.731 -14.967 -4.849 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.396 -15.710 -5.592 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.869 -15.424 -4.064 1.00 0.00 O ATOM 0 H ASP A 50 16.135 -14.391 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 50 15.438 -11.913 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.216 -12.939 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.876 -13.113 -5.941 1.00 0.00 H new ATOM 785 N GLY A 51 16.094 -12.251 -2.150 1.00 0.00 N ATOM 786 CA GLY A 51 16.329 -12.342 -0.702 1.00 0.00 C ATOM 787 C GLY A 51 17.617 -13.074 -0.316 1.00 0.00 C ATOM 788 O GLY A 51 17.875 -13.282 0.873 1.00 0.00 O ATOM 0 H GLY A 51 16.356 -11.352 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.360 -11.335 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.483 -12.852 -0.240 1.00 0.00 H new ATOM 792 N ARG A 52 18.441 -13.462 -1.317 1.00 0.00 N ATOM 793 CA ARG A 52 19.717 -14.184 -1.090 1.00 0.00 C ATOM 794 C ARG A 52 20.846 -13.528 -1.894 1.00 0.00 C ATOM 795 O ARG A 52 20.614 -12.982 -2.977 1.00 0.00 O ATOM 796 CB ARG A 52 19.591 -15.687 -1.492 1.00 0.00 C ATOM 797 CG ARG A 52 18.565 -16.508 -0.678 1.00 0.00 C ATOM 798 CD ARG A 52 18.942 -16.593 0.806 1.00 0.00 C ATOM 799 NE ARG A 52 17.930 -17.298 1.616 1.00 0.00 N ATOM 800 CZ ARG A 52 17.065 -16.706 2.457 1.00 0.00 C ATOM 801 NH1 ARG A 52 16.972 -15.380 2.520 1.00 0.00 N ATOM 802 NH2 ARG A 52 16.270 -17.441 3.208 1.00 0.00 N ATOM 0 H ARG A 52 18.242 -13.285 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 52 19.950 -14.129 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.320 -15.742 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.570 -16.156 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 52 17.579 -16.054 -0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.496 -17.514 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.899 -17.105 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.078 -15.586 1.200 1.00 0.00 H new ATOM 0 HE ARG A 52 17.883 -18.313 1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.562 -14.799 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.311 -14.945 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.311 -18.459 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.613 -16.992 3.847 1.00 0.00 H new ATOM 816 N ILE A 53 22.068 -13.585 -1.341 1.00 0.00 N ATOM 817 CA ILE A 53 23.296 -13.123 -2.011 1.00 0.00 C ATOM 818 C ILE A 53 24.276 -14.304 -2.122 1.00 0.00 C ATOM 819 O ILE A 53 24.478 -15.035 -1.153 1.00 0.00 O ATOM 820 CB ILE A 53 23.988 -11.934 -1.231 1.00 0.00 C ATOM 821 CG1 ILE A 53 23.035 -10.701 -1.100 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.328 -11.523 -1.895 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.642 -10.051 -2.421 1.00 0.00 C ATOM 0 H ILE A 53 22.234 -13.957 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 53 23.024 -12.752 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 53 24.207 -12.296 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.129 -11.014 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.518 -9.952 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.776 -10.704 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.008 -12.375 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.143 -11.201 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.981 -9.206 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.537 -9.701 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.126 -10.780 -3.046 1.00 0.00 H new ATOM 835 N VAL A 54 24.845 -14.496 -3.320 1.00 0.00 N ATOM 836 CA VAL A 54 25.917 -15.473 -3.574 1.00 0.00 C ATOM 837 C VAL A 54 27.199 -14.692 -3.895 1.00 0.00 C ATOM 838 O VAL A 54 27.203 -13.859 -4.805 1.00 0.00 O ATOM 839 CB VAL A 54 25.564 -16.442 -4.769 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.669 -17.508 -4.979 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.174 -17.100 -4.564 1.00 0.00 C ATOM 0 H VAL A 54 24.572 -13.972 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 54 26.047 -16.096 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 54 25.515 -15.842 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.394 -18.158 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.614 -17.013 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.777 -18.103 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.958 -17.762 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.177 -17.676 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.410 -16.325 -4.507 1.00 0.00 H new ATOM 851 N ILE A 55 28.272 -14.943 -3.125 1.00 0.00 N ATOM 852 CA ILE A 55 29.575 -14.258 -3.285 1.00 0.00 C ATOM 853 C ILE A 55 30.678 -15.267 -3.620 1.00 0.00 C ATOM 854 O ILE A 55 30.503 -16.480 -3.461 1.00 0.00 O ATOM 855 CB ILE A 55 29.988 -13.460 -1.985 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.189 -14.424 -0.769 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.949 -12.366 -1.654 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.763 -13.776 0.474 1.00 0.00 C ATOM 0 H ILE A 55 28.264 -15.629 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 55 29.458 -13.549 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 55 30.942 -12.971 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.228 -14.871 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.848 -15.237 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.257 -11.832 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.880 -11.666 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.976 -12.827 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.865 -14.524 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.742 -13.354 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.096 -12.983 0.812 1.00 0.00 H new ATOM 870 N GLY A 56 31.812 -14.744 -4.092 1.00 0.00 N ATOM 871 CA GLY A 56 33.005 -15.541 -4.369 1.00 0.00 C ATOM 872 C GLY A 56 34.082 -15.297 -3.334 1.00 0.00 C ATOM 873 O GLY A 56 33.838 -14.616 -2.328 1.00 0.00 O ATOM 0 H GLY A 56 31.927 -13.751 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.743 -16.599 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.387 -15.295 -5.360 1.00 0.00 H new ATOM 877 N GLU A 57 35.277 -15.847 -3.580 1.00 0.00 N ATOM 878 CA GLU A 57 36.422 -15.700 -2.674 1.00 0.00 C ATOM 879 C GLU A 57 36.946 -14.255 -2.721 1.00 0.00 C ATOM 880 O GLU A 57 37.148 -13.693 -3.802 1.00 0.00 O ATOM 881 CB GLU A 57 37.557 -16.710 -3.012 1.00 0.00 C ATOM 882 CG GLU A 57 37.198 -18.204 -2.824 1.00 0.00 C ATOM 883 CD GLU A 57 36.238 -18.770 -3.889 1.00 0.00 C ATOM 884 OE1 GLU A 57 36.710 -19.169 -4.974 1.00 0.00 O ATOM 885 OE2 GLU A 57 35.008 -18.799 -3.653 1.00 0.00 O ATOM 0 H GLU A 57 35.477 -16.405 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 57 36.083 -15.923 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.861 -16.555 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.421 -16.481 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 57 38.117 -18.789 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 36.747 -18.335 -1.840 1.00 0.00 H new ATOM 892 N PHE A 58 37.126 -13.671 -1.533 1.00 0.00 N ATOM 893 CA PHE A 58 37.597 -12.291 -1.335 1.00 0.00 C ATOM 894 C PHE A 58 38.662 -12.284 -0.221 1.00 0.00 C ATOM 895 O PHE A 58 38.789 -13.268 0.525 1.00 0.00 O ATOM 896 CB PHE A 58 36.389 -11.383 -0.949 1.00 0.00 C ATOM 897 CG PHE A 58 35.733 -11.761 0.388 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.860 -12.846 0.485 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.021 -11.046 1.551 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.302 -13.196 1.701 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.457 -11.397 2.758 1.00 0.00 C ATOM 902 CZ PHE A 58 34.605 -12.468 2.834 1.00 0.00 C ATOM 0 H PHE A 58 36.944 -14.157 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 58 38.040 -11.905 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.726 -10.348 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.640 -11.436 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.618 -13.418 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.696 -10.205 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.629 -14.039 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.687 -10.827 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.169 -12.743 3.783 1.00 0.00 H new ATOM 912 N ASP A 59 39.401 -11.176 -0.091 1.00 0.00 N ATOM 913 CA ASP A 59 40.365 -10.993 1.007 1.00 0.00 C ATOM 914 C ASP A 59 39.618 -10.567 2.281 1.00 0.00 C ATOM 915 O ASP A 59 39.097 -9.449 2.360 1.00 0.00 O ATOM 916 CB ASP A 59 41.444 -9.956 0.621 1.00 0.00 C ATOM 917 CG ASP A 59 42.387 -10.455 -0.488 1.00 0.00 C ATOM 918 OD1 ASP A 59 41.957 -10.538 -1.665 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.562 -10.770 -0.194 1.00 0.00 O ATOM 0 H ASP A 59 39.351 -10.387 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 59 40.873 -11.938 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.957 -9.039 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.031 -9.705 1.504 1.00 0.00 H new ATOM 924 N GLU A 60 39.553 -11.491 3.257 1.00 0.00 N ATOM 925 CA GLU A 60 38.839 -11.286 4.535 1.00 0.00 C ATOM 926 C GLU A 60 39.524 -10.203 5.391 1.00 0.00 C ATOM 927 O GLU A 60 38.878 -9.551 6.208 1.00 0.00 O ATOM 928 CB GLU A 60 38.762 -12.617 5.323 1.00 0.00 C ATOM 929 CG GLU A 60 40.115 -13.118 5.868 1.00 0.00 C ATOM 930 CD GLU A 60 40.019 -14.459 6.608 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.301 -14.530 7.628 1.00 0.00 O ATOM 932 OE2 GLU A 60 40.665 -15.436 6.180 1.00 0.00 O ATOM 0 H GLU A 60 39.996 -12.407 3.183 1.00 0.00 H new ATOM 0 HA GLU A 60 37.829 -10.946 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.073 -12.491 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.340 -13.384 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.816 -13.219 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.526 -12.368 6.544 1.00 0.00 H new ATOM 939 N GLU A 61 40.850 -10.071 5.202 1.00 0.00 N ATOM 940 CA GLU A 61 41.689 -9.068 5.870 1.00 0.00 C ATOM 941 C GLU A 61 41.328 -7.649 5.391 1.00 0.00 C ATOM 942 O GLU A 61 41.210 -6.722 6.206 1.00 0.00 O ATOM 943 CB GLU A 61 43.209 -9.367 5.673 1.00 0.00 C ATOM 944 CG GLU A 61 43.660 -9.732 4.228 1.00 0.00 C ATOM 945 CD GLU A 61 43.633 -11.249 3.933 1.00 0.00 C ATOM 946 OE1 GLU A 61 44.621 -11.940 4.247 1.00 0.00 O ATOM 947 OE2 GLU A 61 42.615 -11.762 3.426 1.00 0.00 O ATOM 0 H GLU A 61 41.375 -10.672 4.567 1.00 0.00 H new ATOM 0 HA GLU A 61 41.488 -9.124 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.774 -8.493 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.484 -10.188 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.013 -9.221 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 44.671 -9.357 4.067 1.00 0.00 H new ATOM 954 N GLU A 62 41.131 -7.488 4.072 1.00 0.00 N ATOM 955 CA GLU A 62 40.681 -6.207 3.498 1.00 0.00 C ATOM 956 C GLU A 62 39.225 -5.911 3.914 1.00 0.00 C ATOM 957 O GLU A 62 38.899 -4.788 4.310 1.00 0.00 O ATOM 958 CB GLU A 62 40.828 -6.187 1.958 1.00 0.00 C ATOM 959 CG GLU A 62 42.288 -6.233 1.467 1.00 0.00 C ATOM 960 CD GLU A 62 42.410 -5.975 -0.043 1.00 0.00 C ATOM 961 OE1 GLU A 62 42.347 -4.798 -0.457 1.00 0.00 O ATOM 962 OE2 GLU A 62 42.554 -6.937 -0.823 1.00 0.00 O ATOM 0 H GLU A 62 41.276 -8.227 3.384 1.00 0.00 H new ATOM 0 HA GLU A 62 41.324 -5.422 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.288 -7.037 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.353 -5.286 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.873 -5.489 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.716 -7.208 1.701 1.00 0.00 H new ATOM 969 N ALA A 63 38.383 -6.952 3.871 1.00 0.00 N ATOM 970 CA ALA A 63 36.947 -6.858 4.194 1.00 0.00 C ATOM 971 C ALA A 63 36.710 -6.394 5.648 1.00 0.00 C ATOM 972 O ALA A 63 35.788 -5.616 5.907 1.00 0.00 O ATOM 973 CB ALA A 63 36.269 -8.214 3.957 1.00 0.00 C ATOM 0 H ALA A 63 38.679 -7.892 3.609 1.00 0.00 H new ATOM 0 HA ALA A 63 36.508 -6.108 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.209 -8.138 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.384 -8.501 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.732 -8.968 4.593 1.00 0.00 H new ATOM 979 N ARG A 64 37.541 -6.898 6.581 1.00 0.00 N ATOM 980 CA ARG A 64 37.412 -6.583 8.022 1.00 0.00 C ATOM 981 C ARG A 64 37.937 -5.169 8.356 1.00 0.00 C ATOM 982 O ARG A 64 37.411 -4.528 9.254 1.00 0.00 O ATOM 983 CB ARG A 64 38.131 -7.647 8.899 1.00 0.00 C ATOM 984 CG ARG A 64 39.665 -7.644 8.779 1.00 0.00 C ATOM 985 CD ARG A 64 40.346 -8.748 9.595 1.00 0.00 C ATOM 986 NE ARG A 64 39.913 -10.099 9.185 1.00 0.00 N ATOM 987 CZ ARG A 64 39.965 -11.193 9.959 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.411 -11.124 11.212 1.00 0.00 N ATOM 989 NH2 ARG A 64 39.561 -12.358 9.483 1.00 0.00 N ATOM 0 H ARG A 64 38.313 -7.528 6.363 1.00 0.00 H new ATOM 0 HA ARG A 64 36.347 -6.605 8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.861 -7.482 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.760 -8.635 8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.939 -7.757 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.045 -6.676 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 64 41.427 -8.666 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 64 40.125 -8.604 10.652 1.00 0.00 H new ATOM 0 HE ARG A 64 39.546 -10.209 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.719 -10.230 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.445 -11.965 11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 39.210 -12.425 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.600 -13.190 10.071 1.00 0.00 H new ATOM 1003 N GLU A 65 38.998 -4.700 7.652 1.00 0.00 N ATOM 1004 CA GLU A 65 39.613 -3.375 7.948 1.00 0.00 C ATOM 1005 C GLU A 65 38.779 -2.205 7.378 1.00 0.00 C ATOM 1006 O GLU A 65 38.614 -1.167 8.034 1.00 0.00 O ATOM 1007 CB GLU A 65 41.077 -3.295 7.447 1.00 0.00 C ATOM 1008 CG GLU A 65 41.265 -3.517 5.941 1.00 0.00 C ATOM 1009 CD GLU A 65 42.721 -3.397 5.467 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.212 -2.256 5.339 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.380 -4.432 5.231 1.00 0.00 O ATOM 0 H GLU A 65 39.442 -5.208 6.887 1.00 0.00 H new ATOM 0 HA GLU A 65 39.622 -3.277 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.480 -2.316 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.669 -4.036 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.890 -4.507 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.657 -2.793 5.399 1.00 0.00 H new ATOM 1018 N LEU A 66 38.247 -2.366 6.156 1.00 0.00 N ATOM 1019 CA LEU A 66 37.356 -1.354 5.561 1.00 0.00 C ATOM 1020 C LEU A 66 35.936 -1.530 6.129 1.00 0.00 C ATOM 1021 O LEU A 66 35.138 -0.583 6.168 1.00 0.00 O ATOM 1022 CB LEU A 66 37.423 -1.416 4.006 1.00 0.00 C ATOM 1023 CG LEU A 66 36.809 -2.673 3.284 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.298 -2.528 3.046 1.00 0.00 C ATOM 1025 CD2 LEU A 66 37.544 -2.984 1.961 1.00 0.00 C ATOM 0 H LEU A 66 38.416 -3.179 5.564 1.00 0.00 H new ATOM 0 HA LEU A 66 37.684 -0.350 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 66 36.922 -0.530 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.471 -1.344 3.715 1.00 0.00 H new ATOM 0 HG LEU A 66 36.953 -3.517 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 34.921 -3.420 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.789 -2.406 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.110 -1.655 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.093 -3.858 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.463 -2.129 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.595 -3.185 2.167 1.00 0.00 H new ATOM 1037 N GLY A 67 35.646 -2.771 6.561 1.00 0.00 N ATOM 1038 CA GLY A 67 34.429 -3.084 7.288 1.00 0.00 C ATOM 1039 C GLY A 67 34.428 -2.470 8.679 1.00 0.00 C ATOM 1040 O GLY A 67 33.383 -2.067 9.169 1.00 0.00 O ATOM 0 H GLY A 67 36.256 -3.575 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.568 -2.719 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.322 -4.166 7.368 1.00 0.00 H new ATOM 1044 N ARG A 68 35.612 -2.394 9.323 1.00 0.00 N ATOM 1045 CA ARG A 68 35.757 -1.737 10.639 1.00 0.00 C ATOM 1046 C ARG A 68 35.763 -0.202 10.471 1.00 0.00 C ATOM 1047 O ARG A 68 35.548 0.532 11.443 1.00 0.00 O ATOM 1048 CB ARG A 68 37.002 -2.267 11.424 1.00 0.00 C ATOM 1049 CG ARG A 68 38.339 -1.531 11.163 1.00 0.00 C ATOM 1050 CD ARG A 68 39.569 -2.287 11.704 1.00 0.00 C ATOM 1051 NE ARG A 68 39.476 -2.587 13.147 1.00 0.00 N ATOM 1052 CZ ARG A 68 40.478 -2.478 14.027 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.615 -1.882 13.693 1.00 0.00 N ATOM 1054 NH2 ARG A 68 40.311 -2.926 15.256 1.00 0.00 N ATOM 0 H ARG A 68 36.481 -2.779 8.953 1.00 0.00 H new ATOM 0 HA ARG A 68 34.893 -1.996 11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.783 -2.212 12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.138 -3.321 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.458 -1.379 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.297 -0.543 11.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.687 -3.219 11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.464 -1.692 11.520 1.00 0.00 H new ATOM 0 HE ARG A 68 38.574 -2.903 13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.734 -1.500 12.755 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.370 -1.806 14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 68 39.424 -3.351 15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 68 41.068 -2.848 15.935 1.00 0.00 H new ATOM 1068 N LYS A 69 36.018 0.285 9.233 1.00 0.00 N ATOM 1069 CA LYS A 69 35.763 1.701 8.880 1.00 0.00 C ATOM 1070 C LYS A 69 34.237 1.969 8.856 1.00 0.00 C ATOM 1071 O LYS A 69 33.778 3.064 9.177 1.00 0.00 O ATOM 1072 CB LYS A 69 36.406 2.093 7.522 1.00 0.00 C ATOM 1073 CG LYS A 69 36.252 3.592 7.165 1.00 0.00 C ATOM 1074 CD LYS A 69 36.788 3.989 5.759 1.00 0.00 C ATOM 1075 CE LYS A 69 35.977 3.405 4.578 1.00 0.00 C ATOM 1076 NZ LYS A 69 36.188 1.944 4.390 1.00 0.00 N ATOM 0 H LYS A 69 36.396 -0.276 8.470 1.00 0.00 H new ATOM 0 HA LYS A 69 36.230 2.323 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.467 1.843 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 69 35.956 1.493 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 69 35.197 3.858 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 69 36.773 4.185 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 69 36.792 5.076 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.823 3.659 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 69 34.917 3.594 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 69 36.254 3.927 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 36.544 1.765 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 36.881 1.601 5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 35.286 1.443 4.524 1.00 0.00 H new ATOM 1090 N TRP A 70 33.453 0.946 8.479 1.00 0.00 N ATOM 1091 CA TRP A 70 31.987 0.984 8.633 1.00 0.00 C ATOM 1092 C TRP A 70 31.613 0.978 10.142 1.00 0.00 C ATOM 1093 O TRP A 70 30.602 1.567 10.539 1.00 0.00 O ATOM 1094 CB TRP A 70 31.320 -0.179 7.862 1.00 0.00 C ATOM 1095 CG TRP A 70 29.809 -0.151 7.876 1.00 0.00 C ATOM 1096 CD1 TRP A 70 28.991 0.568 7.048 1.00 0.00 C ATOM 1097 CD2 TRP A 70 28.937 -0.875 8.763 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.681 0.330 7.366 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.621 -0.547 8.411 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.150 -1.772 9.812 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.521 -1.082 9.069 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.058 -2.292 10.473 1.00 0.00 C ATOM 1103 CH2 TRP A 70 26.758 -1.951 10.094 1.00 0.00 C ATOM 0 H TRP A 70 33.808 0.083 8.066 1.00 0.00 H new ATOM 0 HA TRP A 70 31.606 1.908 8.198 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.662 -0.157 6.827 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.658 -1.123 8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.329 1.226 6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 70 26.876 0.743 6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.152 -2.053 10.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.514 -0.820 8.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.210 -2.974 11.297 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.922 -2.384 10.623 1.00 0.00 H new ATOM 1114 N LEU A 71 32.433 0.294 10.973 1.00 0.00 N ATOM 1115 CA LEU A 71 32.283 0.303 12.456 1.00 0.00 C ATOM 1116 C LEU A 71 32.580 1.701 13.066 1.00 0.00 C ATOM 1117 O LEU A 71 31.993 2.057 14.098 1.00 0.00 O ATOM 1118 CB LEU A 71 33.169 -0.796 13.146 1.00 0.00 C ATOM 1119 CG LEU A 71 32.583 -2.248 13.247 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.103 -2.788 11.888 1.00 0.00 C ATOM 1121 CD2 LEU A 71 33.611 -3.215 13.895 1.00 0.00 C ATOM 0 H LEU A 71 33.212 -0.276 10.643 1.00 0.00 H new ATOM 0 HA LEU A 71 31.238 0.066 12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.114 -0.853 12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.399 -0.456 14.156 1.00 0.00 H new ATOM 0 HG LEU A 71 31.705 -2.190 13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.707 -3.796 12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.321 -2.139 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.940 -2.813 11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.182 -4.215 13.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.516 -3.244 13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.857 -2.866 14.898 1.00 0.00 H new ATOM 1133 N GLU A 72 33.496 2.492 12.451 1.00 0.00 N ATOM 1134 CA GLU A 72 33.757 3.889 12.900 1.00 0.00 C ATOM 1135 C GLU A 72 32.687 4.836 12.321 1.00 0.00 C ATOM 1136 O GLU A 72 32.427 5.906 12.870 1.00 0.00 O ATOM 1137 CB GLU A 72 35.236 4.354 12.601 1.00 0.00 C ATOM 1138 CG GLU A 72 35.639 4.645 11.132 1.00 0.00 C ATOM 1139 CD GLU A 72 35.108 5.976 10.542 1.00 0.00 C ATOM 1140 OE1 GLU A 72 35.401 7.052 11.122 1.00 0.00 O ATOM 1141 OE2 GLU A 72 34.398 5.951 9.513 1.00 0.00 O ATOM 0 H GLU A 72 34.060 2.195 11.655 1.00 0.00 H new ATOM 0 HA GLU A 72 33.672 3.925 13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 72 35.423 5.258 13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.908 3.586 12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.727 4.648 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.284 3.825 10.508 1.00 0.00 H new ATOM 1148 N GLU A 73 32.101 4.434 11.180 1.00 0.00 N ATOM 1149 CA GLU A 73 30.923 5.101 10.591 1.00 0.00 C ATOM 1150 C GLU A 73 29.690 4.924 11.515 1.00 0.00 C ATOM 1151 O GLU A 73 28.833 5.802 11.579 1.00 0.00 O ATOM 1152 CB GLU A 73 30.672 4.538 9.158 1.00 0.00 C ATOM 1153 CG GLU A 73 29.404 5.035 8.418 1.00 0.00 C ATOM 1154 CD GLU A 73 29.303 6.569 8.283 1.00 0.00 C ATOM 1155 OE1 GLU A 73 30.277 7.203 7.819 1.00 0.00 O ATOM 1156 OE2 GLU A 73 28.242 7.143 8.636 1.00 0.00 O ATOM 0 H GLU A 73 32.431 3.635 10.638 1.00 0.00 H new ATOM 0 HA GLU A 73 31.106 6.172 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.539 4.779 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 73 30.621 3.451 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.383 4.593 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.523 4.671 8.947 1.00 0.00 H new ATOM 1163 N LYS A 74 29.630 3.784 12.252 1.00 0.00 N ATOM 1164 CA LYS A 74 28.591 3.536 13.286 1.00 0.00 C ATOM 1165 C LYS A 74 28.693 4.595 14.411 1.00 0.00 C ATOM 1166 O LYS A 74 27.713 5.281 14.726 1.00 0.00 O ATOM 1167 CB LYS A 74 28.736 2.113 13.899 1.00 0.00 C ATOM 1168 CG LYS A 74 28.410 0.938 12.951 1.00 0.00 C ATOM 1169 CD LYS A 74 28.824 -0.436 13.542 1.00 0.00 C ATOM 1170 CE LYS A 74 28.207 -0.724 14.923 1.00 0.00 C ATOM 1171 NZ LYS A 74 28.739 -1.971 15.529 1.00 0.00 N ATOM 0 H LYS A 74 30.294 3.017 12.148 1.00 0.00 H new ATOM 0 HA LYS A 74 27.616 3.608 12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 74 29.759 1.994 14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 74 28.084 2.045 14.770 1.00 0.00 H new ATOM 0 HG2 LYS A 74 27.341 0.932 12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 74 28.921 1.090 12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 74 28.528 -1.224 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 29.910 -0.475 13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.406 0.115 15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.124 -0.803 14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.295 -2.123 16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.527 -2.777 14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 29.769 -1.887 15.648 1.00 0.00 H new ATOM 1185 N SER A 75 29.895 4.720 14.999 1.00 0.00 N ATOM 1186 CA SER A 75 30.163 5.644 16.119 1.00 0.00 C ATOM 1187 C SER A 75 31.049 6.809 15.624 1.00 0.00 C ATOM 1188 O SER A 75 32.267 6.655 15.489 1.00 0.00 O ATOM 1189 CB SER A 75 30.832 4.882 17.293 1.00 0.00 C ATOM 1190 OG SER A 75 30.946 5.700 18.453 1.00 0.00 O ATOM 0 H SER A 75 30.712 4.182 14.711 1.00 0.00 H new ATOM 0 HA SER A 75 29.224 6.058 16.486 1.00 0.00 H new ATOM 0 HB2 SER A 75 30.248 3.993 17.530 1.00 0.00 H new ATOM 0 HB3 SER A 75 31.822 4.541 16.989 1.00 0.00 H new ATOM 0 HG SER A 75 31.370 5.189 19.173 1.00 0.00 H new ATOM 1196 N LYS A 76 30.398 7.961 15.360 1.00 0.00 N ATOM 1197 CA LYS A 76 31.000 9.149 14.706 1.00 0.00 C ATOM 1198 C LYS A 76 32.184 9.733 15.524 1.00 0.00 C ATOM 1199 O LYS A 76 32.151 9.704 16.762 1.00 0.00 O ATOM 1200 CB LYS A 76 29.913 10.254 14.482 1.00 0.00 C ATOM 1201 CG LYS A 76 28.905 9.994 13.338 1.00 0.00 C ATOM 1202 CD LYS A 76 28.001 8.762 13.564 1.00 0.00 C ATOM 1203 CE LYS A 76 27.038 8.526 12.397 1.00 0.00 C ATOM 1204 NZ LYS A 76 27.758 8.345 11.117 1.00 0.00 N ATOM 0 H LYS A 76 29.416 8.097 15.600 1.00 0.00 H new ATOM 0 HA LYS A 76 31.394 8.821 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 76 29.355 10.379 15.410 1.00 0.00 H new ATOM 0 HB3 LYS A 76 30.420 11.199 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 76 28.276 10.876 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 29.455 9.862 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 76 28.623 7.878 13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 76 27.429 8.897 14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 76 26.431 7.644 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 76 26.355 9.371 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 27.132 7.880 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 28.049 9.273 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 28.600 7.755 11.273 1.00 0.00 H new ATOM 1218 N PRO A 77 33.245 10.293 14.845 1.00 0.00 N ATOM 1219 CA PRO A 77 34.434 10.854 15.535 1.00 0.00 C ATOM 1220 C PRO A 77 34.204 12.289 16.062 1.00 0.00 C ATOM 1221 O PRO A 77 33.132 12.876 15.848 1.00 0.00 O ATOM 1222 CB PRO A 77 35.505 10.813 14.423 1.00 0.00 C ATOM 1223 CG PRO A 77 34.741 11.063 13.154 1.00 0.00 C ATOM 1224 CD PRO A 77 33.371 10.430 13.355 1.00 0.00 C ATOM 0 HA PRO A 77 34.706 10.297 16.432 1.00 0.00 H new ATOM 0 HB2 PRO A 77 36.271 11.573 14.581 1.00 0.00 H new ATOM 0 HB3 PRO A 77 36.013 9.849 14.397 1.00 0.00 H new ATOM 0 HG2 PRO A 77 34.652 12.131 12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 77 35.252 10.622 12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 77 32.579 11.056 12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 77 33.303 9.462 12.859 1.00 0.00 H new ATOM 1232 N VAL A 78 35.221 12.846 16.757 1.00 0.00 N ATOM 1233 CA VAL A 78 35.167 14.233 17.277 1.00 0.00 C ATOM 1234 C VAL A 78 35.297 15.254 16.121 1.00 0.00 C ATOM 1235 O VAL A 78 34.857 16.405 16.235 1.00 0.00 O ATOM 1236 CB VAL A 78 36.268 14.483 18.381 1.00 0.00 C ATOM 1237 CG1 VAL A 78 37.701 14.491 17.788 1.00 0.00 C ATOM 1238 CG2 VAL A 78 35.979 15.767 19.204 1.00 0.00 C ATOM 0 H VAL A 78 36.090 12.357 16.971 1.00 0.00 H new ATOM 0 HA VAL A 78 34.195 14.373 17.751 1.00 0.00 H new ATOM 0 HB VAL A 78 36.217 13.640 19.070 1.00 0.00 H new ATOM 0 HG11 VAL A 78 38.424 14.666 18.585 1.00 0.00 H new ATOM 0 HG12 VAL A 78 37.906 13.529 17.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 37.782 15.283 17.044 1.00 0.00 H new ATOM 0 HG21 VAL A 78 36.760 15.903 19.953 1.00 0.00 H new ATOM 0 HG22 VAL A 78 35.961 16.630 18.538 1.00 0.00 H new ATOM 0 HG23 VAL A 78 35.013 15.671 19.700 1.00 0.00 H new ATOM 1248 N THR A 79 35.916 14.810 15.010 1.00 0.00 N ATOM 1249 CA THR A 79 35.967 15.573 13.754 1.00 0.00 C ATOM 1250 C THR A 79 34.567 15.623 13.116 1.00 0.00 C ATOM 1251 O THR A 79 33.833 14.621 13.135 1.00 0.00 O ATOM 1252 CB THR A 79 36.988 14.933 12.752 1.00 0.00 C ATOM 1253 OG1 THR A 79 38.292 14.907 13.359 1.00 0.00 O ATOM 1254 CG2 THR A 79 37.063 15.684 11.403 1.00 0.00 C ATOM 0 H THR A 79 36.395 13.911 14.961 1.00 0.00 H new ATOM 0 HA THR A 79 36.298 16.586 13.980 1.00 0.00 H new ATOM 0 HB THR A 79 36.638 13.924 12.535 1.00 0.00 H new ATOM 0 HG1 THR A 79 38.934 14.506 12.737 1.00 0.00 H new ATOM 0 HG21 THR A 79 37.787 15.193 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 79 36.083 15.675 10.927 1.00 0.00 H new ATOM 0 HG23 THR A 79 37.373 16.715 11.577 1.00 0.00 H new ATOM 1262 N LEU A 80 34.202 16.809 12.588 1.00 0.00 N ATOM 1263 CA LEU A 80 32.953 17.023 11.837 1.00 0.00 C ATOM 1264 C LEU A 80 32.887 16.035 10.654 1.00 0.00 C ATOM 1265 O LEU A 80 33.758 16.058 9.779 1.00 0.00 O ATOM 1266 CB LEU A 80 32.894 18.500 11.343 1.00 0.00 C ATOM 1267 CG LEU A 80 31.569 18.949 10.651 1.00 0.00 C ATOM 1268 CD1 LEU A 80 30.358 18.838 11.605 1.00 0.00 C ATOM 1269 CD2 LEU A 80 31.701 20.378 10.074 1.00 0.00 C ATOM 0 H LEU A 80 34.772 17.651 12.673 1.00 0.00 H new ATOM 0 HA LEU A 80 32.092 16.841 12.481 1.00 0.00 H new ATOM 0 HB2 LEU A 80 33.071 19.153 12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 33.715 18.659 10.644 1.00 0.00 H new ATOM 0 HG LEU A 80 31.387 18.267 9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.455 19.160 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 30.242 17.803 11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 30.521 19.473 12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.764 20.666 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 80 31.928 21.076 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 80 32.504 20.400 9.338 1.00 0.00 H new ATOM 1281 N GLU A 81 31.880 15.140 10.657 1.00 0.00 N ATOM 1282 CA GLU A 81 31.770 14.065 9.644 1.00 0.00 C ATOM 1283 C GLU A 81 31.292 14.625 8.275 1.00 0.00 C ATOM 1284 O GLU A 81 31.261 13.903 7.274 1.00 0.00 O ATOM 1285 CB GLU A 81 30.844 12.924 10.157 1.00 0.00 C ATOM 1286 CG GLU A 81 30.904 11.625 9.320 1.00 0.00 C ATOM 1287 CD GLU A 81 29.998 10.506 9.849 1.00 0.00 C ATOM 1288 OE1 GLU A 81 28.763 10.640 9.725 1.00 0.00 O ATOM 1289 OE2 GLU A 81 30.508 9.480 10.362 1.00 0.00 O ATOM 0 H GLU A 81 31.130 15.138 11.348 1.00 0.00 H new ATOM 0 HA GLU A 81 32.762 13.642 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 81 31.113 12.690 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 81 29.816 13.286 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 81 30.622 11.853 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 81 31.933 11.266 9.296 1.00 0.00 H new ATOM 1296 N GLU A 82 30.936 15.924 8.241 1.00 0.00 N ATOM 1297 CA GLU A 82 30.685 16.655 6.982 1.00 0.00 C ATOM 1298 C GLU A 82 32.005 16.792 6.178 1.00 0.00 C ATOM 1299 O GLU A 82 32.001 16.835 4.941 1.00 0.00 O ATOM 1300 CB GLU A 82 30.094 18.051 7.304 1.00 0.00 C ATOM 1301 CG GLU A 82 29.578 18.854 6.095 1.00 0.00 C ATOM 1302 CD GLU A 82 28.420 18.166 5.355 1.00 0.00 C ATOM 1303 OE1 GLU A 82 27.319 18.031 5.944 1.00 0.00 O ATOM 1304 OE2 GLU A 82 28.601 17.744 4.195 1.00 0.00 O ATOM 0 H GLU A 82 30.815 16.493 9.079 1.00 0.00 H new ATOM 0 HA GLU A 82 29.969 16.101 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 82 29.273 17.923 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 82 30.859 18.641 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.250 19.837 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 82 30.400 19.015 5.398 1.00 0.00 H new ATOM 1311 N LEU A 83 33.134 16.853 6.924 1.00 0.00 N ATOM 1312 CA LEU A 83 34.497 16.900 6.357 1.00 0.00 C ATOM 1313 C LEU A 83 34.893 15.533 5.735 1.00 0.00 C ATOM 1314 O LEU A 83 35.750 15.489 4.847 1.00 0.00 O ATOM 1315 CB LEU A 83 35.520 17.326 7.460 1.00 0.00 C ATOM 1316 CG LEU A 83 37.010 17.489 7.011 1.00 0.00 C ATOM 1317 CD1 LEU A 83 37.157 18.584 5.931 1.00 0.00 C ATOM 1318 CD2 LEU A 83 37.934 17.757 8.226 1.00 0.00 C ATOM 0 H LEU A 83 33.121 16.871 7.944 1.00 0.00 H new ATOM 0 HA LEU A 83 34.513 17.641 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 83 35.187 18.273 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 83 35.485 16.587 8.261 1.00 0.00 H new ATOM 0 HG LEU A 83 37.326 16.548 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 83 38.204 18.671 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 83 36.560 18.317 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 36.810 19.537 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 83 38.963 17.866 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 83 37.620 18.672 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 83 37.870 16.921 8.923 1.00 0.00 H new ATOM 1330 N LYS A 84 34.274 14.426 6.223 1.00 0.00 N ATOM 1331 CA LYS A 84 34.450 13.076 5.630 1.00 0.00 C ATOM 1332 C LYS A 84 33.868 13.086 4.197 1.00 0.00 C ATOM 1333 O LYS A 84 32.667 12.857 3.992 1.00 0.00 O ATOM 1334 CB LYS A 84 33.774 11.966 6.513 1.00 0.00 C ATOM 1335 CG LYS A 84 33.879 10.514 5.951 1.00 0.00 C ATOM 1336 CD LYS A 84 33.047 9.466 6.752 1.00 0.00 C ATOM 1337 CE LYS A 84 33.593 9.188 8.164 1.00 0.00 C ATOM 1338 NZ LYS A 84 32.774 8.174 8.883 1.00 0.00 N ATOM 0 H LYS A 84 33.647 14.444 7.028 1.00 0.00 H new ATOM 0 HA LYS A 84 35.512 12.836 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 84 34.226 11.988 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 84 32.720 12.215 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 84 33.546 10.511 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 84 34.926 10.209 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 84 32.018 9.817 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 84 33.021 8.531 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 84 34.623 8.839 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 84 33.609 10.115 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 32.331 8.612 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 32.034 7.812 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 33.383 7.388 9.188 1.00 0.00 H new ATOM 1352 N SER A 85 34.728 13.428 3.222 1.00 0.00 N ATOM 1353 CA SER A 85 34.339 13.612 1.823 1.00 0.00 C ATOM 1354 C SER A 85 34.790 12.390 1.005 1.00 0.00 C ATOM 1355 O SER A 85 35.975 12.030 1.009 1.00 0.00 O ATOM 1356 CB SER A 85 34.963 14.912 1.263 1.00 0.00 C ATOM 1357 OG SER A 85 34.365 15.290 0.028 1.00 0.00 O ATOM 0 H SER A 85 35.722 13.585 3.390 1.00 0.00 H new ATOM 0 HA SER A 85 33.255 13.702 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 85 34.841 15.717 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 85 36.034 14.770 1.121 1.00 0.00 H new ATOM 0 HG SER A 85 34.781 16.116 -0.298 1.00 0.00 H new ATOM 1363 N TYR A 86 33.822 11.773 0.326 1.00 0.00 N ATOM 1364 CA TYR A 86 33.992 10.558 -0.485 1.00 0.00 C ATOM 1365 C TYR A 86 32.630 10.205 -1.097 1.00 0.00 C ATOM 1366 O TYR A 86 32.531 9.795 -2.268 1.00 0.00 O ATOM 1367 CB TYR A 86 34.516 9.361 0.374 1.00 0.00 C ATOM 1368 CG TYR A 86 34.720 8.058 -0.412 1.00 0.00 C ATOM 1369 CD1 TYR A 86 35.824 7.892 -1.255 1.00 0.00 C ATOM 1370 CD2 TYR A 86 33.807 6.996 -0.325 1.00 0.00 C ATOM 1371 CE1 TYR A 86 36.007 6.727 -1.975 1.00 0.00 C ATOM 1372 CE2 TYR A 86 33.995 5.832 -1.044 1.00 0.00 C ATOM 1373 CZ TYR A 86 35.092 5.704 -1.866 1.00 0.00 C ATOM 1374 OH TYR A 86 35.268 4.547 -2.589 1.00 0.00 O ATOM 0 H TYR A 86 32.861 12.115 0.323 1.00 0.00 H new ATOM 0 HA TYR A 86 34.732 10.746 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 86 35.463 9.646 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.811 9.176 1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 86 36.547 8.689 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.942 7.091 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 86 36.865 6.619 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 86 33.283 5.024 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 86 34.534 3.926 -2.397 1.00 0.00 H new ATOM 1384 N GLY A 87 31.580 10.387 -0.270 1.00 0.00 N ATOM 1385 CA GLY A 87 30.234 9.959 -0.602 1.00 0.00 C ATOM 1386 C GLY A 87 30.145 8.441 -0.574 1.00 0.00 C ATOM 1387 O GLY A 87 30.195 7.832 0.501 1.00 0.00 O ATOM 0 H GLY A 87 31.657 10.836 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 87 29.524 10.386 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 87 29.960 10.329 -1.590 1.00 0.00 H new ATOM 1391 N PHE A 88 30.063 7.832 -1.766 1.00 0.00 N ATOM 1392 CA PHE A 88 30.003 6.367 -1.944 1.00 0.00 C ATOM 1393 C PHE A 88 30.913 5.939 -3.118 1.00 0.00 C ATOM 1394 O PHE A 88 31.175 4.751 -3.299 1.00 0.00 O ATOM 1395 CB PHE A 88 28.529 5.915 -2.174 1.00 0.00 C ATOM 1396 CG PHE A 88 27.605 6.242 -0.998 1.00 0.00 C ATOM 1397 CD1 PHE A 88 27.641 5.478 0.170 1.00 0.00 C ATOM 1398 CD2 PHE A 88 26.739 7.337 -1.042 1.00 0.00 C ATOM 1399 CE1 PHE A 88 26.835 5.793 1.249 1.00 0.00 C ATOM 1400 CE2 PHE A 88 25.940 7.653 0.041 1.00 0.00 C ATOM 1401 CZ PHE A 88 25.987 6.881 1.185 1.00 0.00 C ATOM 0 H PHE A 88 30.036 8.346 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 88 30.367 5.878 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 88 28.145 6.396 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 88 28.510 4.840 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 88 28.307 4.630 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 88 26.693 7.945 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 88 26.869 5.187 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 88 25.278 8.505 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 88 25.361 7.128 2.029 1.00 0.00 H new ATOM 1411 N GLY A 89 31.425 6.922 -3.891 1.00 0.00 N ATOM 1412 CA GLY A 89 32.265 6.637 -5.060 1.00 0.00 C ATOM 1413 C GLY A 89 31.470 5.996 -6.197 1.00 0.00 C ATOM 1414 O GLY A 89 31.974 5.095 -6.882 1.00 0.00 O ATOM 0 H GLY A 89 31.268 7.915 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 89 32.720 7.562 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 89 33.079 5.973 -4.768 1.00 0.00 H new ATOM 1418 N GLU A 90 30.227 6.483 -6.382 1.00 0.00 N ATOM 1419 CA GLU A 90 29.261 5.954 -7.365 1.00 0.00 C ATOM 1420 C GLU A 90 29.802 6.096 -8.803 1.00 0.00 C ATOM 1421 O GLU A 90 29.922 7.215 -9.323 1.00 0.00 O ATOM 1422 CB GLU A 90 27.899 6.686 -7.202 1.00 0.00 C ATOM 1423 CG GLU A 90 27.218 6.426 -5.842 1.00 0.00 C ATOM 1424 CD GLU A 90 26.025 7.353 -5.576 1.00 0.00 C ATOM 1425 OE1 GLU A 90 24.914 7.077 -6.077 1.00 0.00 O ATOM 1426 OE2 GLU A 90 26.199 8.382 -4.891 1.00 0.00 O ATOM 0 H GLU A 90 29.860 7.268 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 90 29.112 4.890 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 90 28.055 7.758 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 90 27.228 6.370 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 90 26.880 5.390 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 90 27.952 6.551 -5.046 1.00 0.00 H new ATOM 1433 N GLU A 91 30.140 4.944 -9.401 1.00 0.00 N ATOM 1434 CA GLU A 91 30.750 4.828 -10.728 1.00 0.00 C ATOM 1435 C GLU A 91 30.483 3.395 -11.228 1.00 0.00 C ATOM 1436 O GLU A 91 30.771 2.426 -10.513 1.00 0.00 O ATOM 1437 CB GLU A 91 32.284 5.143 -10.652 1.00 0.00 C ATOM 1438 CG GLU A 91 33.022 5.351 -12.006 1.00 0.00 C ATOM 1439 CD GLU A 91 33.353 4.055 -12.777 1.00 0.00 C ATOM 1440 OE1 GLU A 91 34.294 3.343 -12.364 1.00 0.00 O ATOM 1441 OE2 GLU A 91 32.690 3.752 -13.799 1.00 0.00 O ATOM 0 H GLU A 91 29.990 4.038 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 91 30.320 5.547 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 91 32.417 6.042 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 91 32.773 4.327 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 91 32.408 5.987 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 91 33.950 5.890 -11.817 1.00 0.00 H new ATOM 1448 N GLY A 92 29.932 3.271 -12.450 1.00 0.00 N ATOM 1449 CA GLY A 92 29.522 1.977 -13.007 1.00 0.00 C ATOM 1450 C GLY A 92 28.129 1.567 -12.543 1.00 0.00 C ATOM 1451 O GLY A 92 27.624 2.088 -11.538 1.00 0.00 O ATOM 0 H GLY A 92 29.761 4.061 -13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 92 29.540 2.030 -14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 92 30.241 1.212 -12.713 1.00 0.00 H new ATOM 1455 N GLU A 93 27.501 0.635 -13.271 1.00 0.00 N ATOM 1456 CA GLU A 93 26.131 0.171 -12.989 1.00 0.00 C ATOM 1457 C GLU A 93 25.959 -1.307 -13.396 1.00 0.00 C ATOM 1458 O GLU A 93 26.907 -1.944 -13.872 1.00 0.00 O ATOM 1459 CB GLU A 93 25.076 1.118 -13.670 1.00 0.00 C ATOM 1460 CG GLU A 93 25.365 1.527 -15.142 1.00 0.00 C ATOM 1461 CD GLU A 93 25.268 0.377 -16.163 1.00 0.00 C ATOM 1462 OE1 GLU A 93 24.136 -0.061 -16.467 1.00 0.00 O ATOM 1463 OE2 GLU A 93 26.316 -0.107 -16.647 1.00 0.00 O ATOM 0 H GLU A 93 27.928 0.178 -14.076 1.00 0.00 H new ATOM 0 HA GLU A 93 25.953 0.221 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 93 24.104 0.627 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 24.995 2.026 -13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 93 24.665 2.311 -15.431 1.00 0.00 H new ATOM 0 HG3 GLU A 93 26.365 1.958 -15.195 1.00 0.00 H new ATOM 1470 N GLY A 94 24.743 -1.834 -13.196 1.00 0.00 N ATOM 1471 CA GLY A 94 24.414 -3.218 -13.531 1.00 0.00 C ATOM 1472 C GLY A 94 23.126 -3.642 -12.851 1.00 0.00 C ATOM 1473 O GLY A 94 22.137 -3.979 -13.512 1.00 0.00 O ATOM 0 H GLY A 94 23.964 -1.310 -12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 94 24.312 -3.322 -14.611 1.00 0.00 H new ATOM 0 HA3 GLY A 94 25.227 -3.875 -13.223 1.00 0.00 H new ATOM 1477 N SER A 95 23.146 -3.596 -11.514 1.00 0.00 N ATOM 1478 CA SER A 95 21.986 -3.891 -10.663 1.00 0.00 C ATOM 1479 C SER A 95 21.987 -2.904 -9.463 1.00 0.00 C ATOM 1480 O SER A 95 21.225 -1.912 -9.490 1.00 0.00 O ATOM 1481 CB SER A 95 22.019 -5.382 -10.214 1.00 0.00 C ATOM 1482 OG SER A 95 23.263 -5.721 -9.613 1.00 0.00 O ATOM 1483 OXT SER A 95 22.808 -3.076 -8.534 1.00 0.00 O ATOM 0 H SER A 95 23.982 -3.349 -10.984 1.00 0.00 H new ATOM 0 HA SER A 95 21.056 -3.752 -11.214 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.210 -5.568 -9.507 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.843 -6.026 -11.076 1.00 0.00 H new ATOM 0 HG SER A 95 23.565 -4.981 -9.046 1.00 0.00 H new TER 1489 SER A 95