USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 36 GLN : amide:sc= -0.125 X(o=-0.077,f=0.39) USER MOD Set 1.2: A 40 TYR OH : rot -71:sc= 0.048 USER MOD Set 2.1: A 8 CYS SG : rot 163:sc= 0.245 USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.0515 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 22:sc= 1.12 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 22 CYS SG : rot -161:sc= 1.18 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -11:sc= 0.283 USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 32 THR OG1 : rot 141:sc= -0.708 USER MOD Single : A 33 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -0.148 (180deg=-0.163) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 56 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc=-0.00121 (180deg=-0.0512) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 67 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.1) USER MOD Single : A 69 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.248 -18.483 5.501 1.00 0.00 N ATOM 2 CA GLY A 1 17.734 -17.256 4.885 1.00 0.00 C ATOM 3 C GLY A 1 18.046 -17.206 3.401 1.00 0.00 C ATOM 4 O GLY A 1 19.103 -16.698 3.026 1.00 0.00 O ATOM 0 H1 GLY A 1 18.018 -18.485 6.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.811 -19.310 5.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.280 -18.526 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.656 -17.197 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.171 -16.389 5.379 1.00 0.00 H new ATOM 8 N PRO A 2 17.145 -17.689 2.528 1.00 0.00 N ATOM 9 CA PRO A 2 17.367 -17.681 1.088 1.00 0.00 C ATOM 10 C PRO A 2 16.936 -16.370 0.415 1.00 0.00 C ATOM 11 O PRO A 2 17.460 -16.028 -0.646 1.00 0.00 O ATOM 12 CB PRO A 2 16.503 -18.832 0.576 1.00 0.00 C ATOM 13 CG PRO A 2 15.304 -18.837 1.526 1.00 0.00 C ATOM 14 CD PRO A 2 15.876 -18.332 2.853 1.00 0.00 C ATOM 0 HA PRO A 2 18.428 -17.782 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 2 16.194 -18.672 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.041 -19.780 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.506 -18.189 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.881 -19.836 1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.193 -17.628 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.024 -19.155 3.552 1.00 0.00 H new ATOM 22 N LEU A 3 15.982 -15.634 0.992 1.00 0.00 N ATOM 23 CA LEU A 3 15.454 -14.379 0.459 1.00 0.00 C ATOM 24 C LEU A 3 15.689 -13.258 1.463 1.00 0.00 C ATOM 25 O LEU A 3 15.790 -13.523 2.664 1.00 0.00 O ATOM 26 CB LEU A 3 13.947 -14.527 0.170 1.00 0.00 C ATOM 27 CG LEU A 3 13.637 -15.040 -1.249 1.00 0.00 C ATOM 28 CD1 LEU A 3 13.874 -16.545 -1.421 1.00 0.00 C ATOM 29 CD2 LEU A 3 12.184 -14.720 -1.608 1.00 0.00 C ATOM 0 H LEU A 3 15.543 -15.906 1.872 1.00 0.00 H new ATOM 0 HA LEU A 3 15.968 -14.136 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.512 -15.212 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.462 -13.561 0.312 1.00 0.00 H new ATOM 0 HG LEU A 3 14.328 -14.528 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.636 -16.836 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.919 -16.775 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.236 -17.095 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.969 -15.084 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.518 -15.206 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.029 -13.642 -1.572 1.00 0.00 H new ATOM 41 N GLY A 4 15.713 -12.011 0.997 1.00 0.00 N ATOM 42 CA GLY A 4 15.926 -10.845 1.841 1.00 0.00 C ATOM 43 C GLY A 4 16.221 -9.604 1.008 1.00 0.00 C ATOM 44 O GLY A 4 17.217 -8.933 1.266 1.00 0.00 O ATOM 0 H GLY A 4 15.583 -11.783 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.042 -10.672 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.755 -11.034 2.523 1.00 0.00 H new ATOM 48 N SER A 5 15.429 -9.345 -0.034 1.00 0.00 N ATOM 49 CA SER A 5 15.603 -8.181 -0.897 1.00 0.00 C ATOM 50 C SER A 5 15.027 -6.954 -0.193 1.00 0.00 C ATOM 51 O SER A 5 13.883 -6.998 0.261 1.00 0.00 O ATOM 52 CB SER A 5 14.881 -8.436 -2.224 1.00 0.00 C ATOM 53 OG SER A 5 15.520 -9.510 -2.892 1.00 0.00 O ATOM 0 H SER A 5 14.646 -9.941 -0.302 1.00 0.00 H new ATOM 0 HA SER A 5 16.659 -8.006 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.833 -8.674 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.903 -7.540 -2.844 1.00 0.00 H new ATOM 0 HG SER A 5 15.065 -9.683 -3.742 1.00 0.00 H new ATOM 59 N THR A 6 15.773 -5.852 -0.145 1.00 0.00 N ATOM 60 CA THR A 6 15.370 -4.605 0.503 1.00 0.00 C ATOM 61 C THR A 6 14.745 -3.622 -0.503 1.00 0.00 C ATOM 62 O THR A 6 14.918 -2.405 -0.383 1.00 0.00 O ATOM 63 CB THR A 6 16.583 -4.038 1.270 1.00 0.00 C ATOM 64 OG1 THR A 6 17.681 -3.787 0.411 1.00 0.00 O ATOM 65 CG2 THR A 6 17.055 -5.027 2.334 1.00 0.00 C ATOM 0 H THR A 6 16.700 -5.800 -0.567 1.00 0.00 H new ATOM 0 HA THR A 6 14.577 -4.790 1.228 1.00 0.00 H new ATOM 0 HB THR A 6 16.251 -3.104 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.429 -3.427 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 6 17.911 -4.610 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 6 16.247 -5.215 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.345 -5.963 1.857 1.00 0.00 H new ATOM 73 N ASP A 7 14.101 -4.132 -1.558 1.00 0.00 N ATOM 74 CA ASP A 7 13.471 -3.309 -2.594 1.00 0.00 C ATOM 75 C ASP A 7 12.268 -2.535 -2.047 1.00 0.00 C ATOM 76 O ASP A 7 11.672 -2.951 -1.050 1.00 0.00 O ATOM 77 CB ASP A 7 13.017 -4.198 -3.757 1.00 0.00 C ATOM 78 CG ASP A 7 12.707 -3.352 -4.991 1.00 0.00 C ATOM 79 OD1 ASP A 7 11.654 -3.546 -5.636 1.00 0.00 O ATOM 80 OD2 ASP A 7 13.539 -2.485 -5.336 1.00 0.00 O ATOM 0 H ASP A 7 14.002 -5.135 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 7 14.211 -2.587 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.796 -4.923 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.132 -4.764 -3.466 1.00 0.00 H new ATOM 85 N CYS A 8 11.908 -1.407 -2.666 1.00 0.00 N ATOM 86 CA CYS A 8 10.765 -0.614 -2.220 1.00 0.00 C ATOM 87 C CYS A 8 9.485 -1.355 -2.596 1.00 0.00 C ATOM 88 O CYS A 8 9.294 -1.689 -3.767 1.00 0.00 O ATOM 89 CB CYS A 8 10.764 0.823 -2.784 1.00 0.00 C ATOM 90 SG CYS A 8 11.758 1.027 -4.294 1.00 0.00 S ATOM 0 H CYS A 8 12.393 -1.025 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 8 10.832 -0.499 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.736 1.118 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.140 1.503 -2.019 1.00 0.00 H new ATOM 0 HG CYS A 8 11.417 2.130 -4.892 1.00 0.00 H new ATOM 96 N SER A 9 8.618 -1.642 -1.627 1.00 0.00 N ATOM 97 CA SER A 9 7.354 -2.343 -1.825 1.00 0.00 C ATOM 98 C SER A 9 6.503 -2.229 -0.555 1.00 0.00 C ATOM 99 O SER A 9 7.034 -1.935 0.522 1.00 0.00 O ATOM 100 CB SER A 9 7.654 -3.818 -2.110 1.00 0.00 C ATOM 101 OG SER A 9 8.083 -4.057 -3.433 1.00 0.00 O ATOM 0 H SER A 9 8.782 -1.385 -0.654 1.00 0.00 H new ATOM 0 HA SER A 9 6.809 -1.905 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.422 -4.165 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.758 -4.408 -1.914 1.00 0.00 H new ATOM 0 HG SER A 9 8.443 -3.229 -3.815 1.00 0.00 H new ATOM 107 N ILE A 10 5.196 -2.516 -0.665 1.00 0.00 N ATOM 108 CA ILE A 10 4.209 -2.463 0.425 1.00 0.00 C ATOM 109 C ILE A 10 4.694 -3.199 1.657 1.00 0.00 C ATOM 110 O ILE A 10 4.330 -2.802 2.755 1.00 0.00 O ATOM 111 CB ILE A 10 2.834 -3.038 -0.003 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.239 -2.259 -1.175 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.791 -3.131 1.120 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.890 -0.817 -0.840 1.00 0.00 C ATOM 0 H ILE A 10 4.781 -2.803 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 10 4.086 -1.407 0.666 1.00 0.00 H new ATOM 0 HB ILE A 10 3.061 -4.061 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.948 -2.268 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.340 -2.770 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.864 -3.544 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.166 -3.778 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.601 -2.136 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.473 -0.329 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.157 -0.798 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.790 -0.289 -0.524 1.00 0.00 H new ATOM 126 N VAL A 11 5.524 -4.224 1.494 1.00 0.00 N ATOM 127 CA VAL A 11 6.039 -4.987 2.628 1.00 0.00 C ATOM 128 C VAL A 11 6.595 -4.088 3.736 1.00 0.00 C ATOM 129 O VAL A 11 6.238 -4.233 4.905 1.00 0.00 O ATOM 130 CB VAL A 11 7.105 -5.991 2.168 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.461 -7.087 1.316 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.299 -5.401 1.396 1.00 0.00 C ATOM 0 H VAL A 11 5.856 -4.547 0.585 1.00 0.00 H new ATOM 0 HA VAL A 11 5.195 -5.532 3.050 1.00 0.00 H new ATOM 0 HB VAL A 11 7.521 -6.384 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.225 -7.794 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.707 -7.610 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.991 -6.638 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.987 -6.201 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.940 -4.906 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.817 -4.677 2.025 1.00 0.00 H new ATOM 142 N SER A 12 7.440 -3.130 3.362 1.00 0.00 N ATOM 143 CA SER A 12 8.061 -2.220 4.298 1.00 0.00 C ATOM 144 C SER A 12 7.034 -1.282 4.930 1.00 0.00 C ATOM 145 O SER A 12 7.100 -1.003 6.133 1.00 0.00 O ATOM 146 CB SER A 12 9.138 -1.450 3.535 1.00 0.00 C ATOM 147 OG SER A 12 10.054 -0.874 4.433 1.00 0.00 O ATOM 0 H SER A 12 7.710 -2.969 2.391 1.00 0.00 H new ATOM 0 HA SER A 12 8.509 -2.771 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.660 -2.121 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.677 -0.672 2.927 1.00 0.00 H new ATOM 0 HG SER A 12 10.740 -0.385 3.932 1.00 0.00 H new ATOM 153 N PHE A 13 6.105 -0.787 4.111 1.00 0.00 N ATOM 154 CA PHE A 13 5.060 0.132 4.543 1.00 0.00 C ATOM 155 C PHE A 13 4.157 -0.559 5.567 1.00 0.00 C ATOM 156 O PHE A 13 3.876 -0.022 6.639 1.00 0.00 O ATOM 157 CB PHE A 13 4.312 0.619 3.291 1.00 0.00 C ATOM 158 CG PHE A 13 3.064 1.456 3.497 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.003 1.321 2.582 1.00 0.00 C ATOM 160 CD2 PHE A 13 2.967 2.400 4.541 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.842 2.094 2.727 1.00 0.00 C ATOM 162 CE2 PHE A 13 1.803 3.175 4.685 1.00 0.00 C ATOM 163 CZ PHE A 13 0.735 2.995 3.792 1.00 0.00 C ATOM 0 H PHE A 13 6.060 -1.018 3.118 1.00 0.00 H new ATOM 0 HA PHE A 13 5.471 1.007 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.010 1.200 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.036 -0.257 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.083 0.619 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.788 2.527 5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.033 1.994 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.731 3.905 5.478 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.177 3.557 3.928 1.00 0.00 H new ATOM 173 N PHE A 14 3.718 -1.773 5.249 1.00 0.00 N ATOM 174 CA PHE A 14 2.864 -2.590 6.085 1.00 0.00 C ATOM 175 C PHE A 14 3.569 -2.930 7.382 1.00 0.00 C ATOM 176 O PHE A 14 2.941 -2.785 8.430 1.00 0.00 O ATOM 177 CB PHE A 14 2.428 -3.836 5.317 1.00 0.00 C ATOM 178 CG PHE A 14 1.148 -3.668 4.525 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.409 -4.816 4.205 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.675 -2.403 4.118 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.790 -4.711 3.485 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.529 -2.297 3.408 1.00 0.00 C ATOM 183 CZ PHE A 14 -1.265 -3.452 3.096 1.00 0.00 C ATOM 0 H PHE A 14 3.960 -2.226 4.368 1.00 0.00 H new ATOM 0 HA PHE A 14 1.964 -2.034 6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.227 -4.126 4.635 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.299 -4.656 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.765 -5.787 4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.242 -1.514 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.347 -5.601 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.891 -1.327 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.197 -3.369 2.556 1.00 0.00 H new ATOM 193 N ALA A 15 4.851 -3.307 7.333 1.00 0.00 N ATOM 194 CA ALA A 15 5.614 -3.625 8.531 1.00 0.00 C ATOM 195 C ALA A 15 5.587 -2.414 9.470 1.00 0.00 C ATOM 196 O ALA A 15 5.368 -2.585 10.670 1.00 0.00 O ATOM 197 CB ALA A 15 7.044 -4.033 8.165 1.00 0.00 C ATOM 0 H ALA A 15 5.380 -3.398 6.466 1.00 0.00 H new ATOM 0 HA ALA A 15 5.165 -4.475 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.599 -4.267 9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.018 -4.911 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.534 -3.212 7.642 1.00 0.00 H new ATOM 203 N ARG A 16 5.764 -1.188 8.946 1.00 0.00 N ATOM 204 CA ARG A 16 5.726 0.024 9.772 1.00 0.00 C ATOM 205 C ARG A 16 4.348 0.211 10.395 1.00 0.00 C ATOM 206 O ARG A 16 4.259 0.359 11.613 1.00 0.00 O ATOM 207 CB ARG A 16 6.091 1.283 8.969 1.00 0.00 C ATOM 208 CG ARG A 16 7.592 1.368 8.711 1.00 0.00 C ATOM 209 CD ARG A 16 7.971 2.712 8.090 1.00 0.00 C ATOM 210 NE ARG A 16 9.429 2.863 8.053 1.00 0.00 N ATOM 211 CZ ARG A 16 10.138 3.788 7.406 1.00 0.00 C ATOM 212 NH1 ARG A 16 9.535 4.746 6.709 1.00 0.00 N ATOM 213 NH2 ARG A 16 11.461 3.726 7.493 1.00 0.00 N ATOM 0 H ARG A 16 5.934 -1.014 7.955 1.00 0.00 H new ATOM 0 HA ARG A 16 6.470 -0.110 10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.558 1.277 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.764 2.169 9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.133 1.232 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.896 0.559 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.566 2.781 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.529 3.524 8.667 1.00 0.00 H new ATOM 0 HE ARG A 16 9.965 2.178 8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.517 4.780 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.091 5.447 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.902 2.988 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.037 4.417 7.011 1.00 0.00 H new ATOM 227 N LEU A 17 3.282 0.127 9.589 1.00 0.00 N ATOM 228 CA LEU A 17 1.913 0.315 10.078 1.00 0.00 C ATOM 229 C LEU A 17 1.563 -0.743 11.121 1.00 0.00 C ATOM 230 O LEU A 17 0.930 -0.425 12.127 1.00 0.00 O ATOM 231 CB LEU A 17 0.881 0.196 8.935 1.00 0.00 C ATOM 232 CG LEU A 17 0.903 1.291 7.857 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.143 0.993 6.769 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.660 2.686 8.445 1.00 0.00 C ATOM 0 H LEU A 17 3.344 -0.071 8.590 1.00 0.00 H new ATOM 0 HA LEU A 17 1.872 1.314 10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.029 -0.766 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.115 0.177 9.378 1.00 0.00 H new ATOM 0 HG LEU A 17 1.900 1.287 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.115 1.778 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.079 0.033 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.135 0.957 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.685 3.427 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.314 2.711 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.437 2.914 9.175 1.00 0.00 H new ATOM 246 N GLY A 18 2.015 -1.975 10.913 1.00 0.00 N ATOM 247 CA GLY A 18 1.784 -3.125 11.763 1.00 0.00 C ATOM 248 C GLY A 18 0.872 -4.133 11.083 1.00 0.00 C ATOM 249 O GLY A 18 0.357 -5.018 11.760 1.00 0.00 O ATOM 0 H GLY A 18 2.584 -2.205 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.735 -3.598 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.337 -2.802 12.703 1.00 0.00 H new ATOM 253 N CYS A 19 0.580 -3.978 9.788 1.00 0.00 N ATOM 254 CA CYS A 19 -0.272 -4.923 9.085 1.00 0.00 C ATOM 255 C CYS A 19 0.634 -6.118 8.765 1.00 0.00 C ATOM 256 O CYS A 19 1.391 -6.042 7.801 1.00 0.00 O ATOM 257 CB CYS A 19 -0.815 -4.238 7.819 1.00 0.00 C ATOM 258 SG CYS A 19 -1.612 -2.651 8.229 1.00 0.00 S ATOM 0 H CYS A 19 0.923 -3.208 9.213 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.137 -5.255 9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.001 -4.069 7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.533 -4.893 7.326 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.058 -2.096 7.142 1.00 0.00 H new ATOM 264 N SER A 20 0.528 -7.224 9.507 1.00 0.00 N ATOM 265 CA SER A 20 1.387 -8.380 9.276 1.00 0.00 C ATOM 266 C SER A 20 0.812 -9.332 8.229 1.00 0.00 C ATOM 267 O SER A 20 1.298 -9.327 7.101 1.00 0.00 O ATOM 268 CB SER A 20 1.732 -9.067 10.598 1.00 0.00 C ATOM 269 OG SER A 20 2.829 -9.928 10.388 1.00 0.00 O ATOM 0 H SER A 20 -0.141 -7.340 10.268 1.00 0.00 H new ATOM 0 HA SER A 20 2.325 -8.025 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.975 -8.324 11.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.875 -9.630 10.966 1.00 0.00 H new ATOM 0 HG SER A 20 3.061 -10.373 11.230 1.00 0.00 H new ATOM 275 N SER A 21 -0.255 -10.080 8.534 1.00 0.00 N ATOM 276 CA SER A 21 -0.871 -11.046 7.616 1.00 0.00 C ATOM 277 C SER A 21 -1.210 -10.432 6.252 1.00 0.00 C ATOM 278 O SER A 21 -1.145 -11.088 5.213 1.00 0.00 O ATOM 279 CB SER A 21 -2.136 -11.624 8.271 1.00 0.00 C ATOM 280 OG SER A 21 -1.972 -11.823 9.672 1.00 0.00 O ATOM 0 H SER A 21 -0.722 -10.031 9.439 1.00 0.00 H new ATOM 0 HA SER A 21 -0.146 -11.838 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.974 -10.949 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.387 -12.573 7.798 1.00 0.00 H new ATOM 0 HG SER A 21 -2.799 -12.190 10.049 1.00 0.00 H new ATOM 286 N CYS A 22 -1.528 -9.139 6.242 1.00 0.00 N ATOM 287 CA CYS A 22 -1.875 -8.418 5.039 1.00 0.00 C ATOM 288 C CYS A 22 -0.702 -8.375 4.059 1.00 0.00 C ATOM 289 O CYS A 22 -0.930 -8.297 2.850 1.00 0.00 O ATOM 290 CB CYS A 22 -2.335 -7.006 5.422 1.00 0.00 C ATOM 291 SG CYS A 22 -3.416 -7.024 6.884 1.00 0.00 S ATOM 0 H CYS A 22 -1.549 -8.564 7.084 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.689 -8.935 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.464 -6.381 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.865 -6.556 4.583 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.096 -5.917 6.934 1.00 0.00 H new ATOM 297 N LEU A 23 0.536 -8.362 4.568 1.00 0.00 N ATOM 298 CA LEU A 23 1.738 -8.333 3.752 1.00 0.00 C ATOM 299 C LEU A 23 1.875 -9.690 3.079 1.00 0.00 C ATOM 300 O LEU A 23 2.242 -9.713 1.913 1.00 0.00 O ATOM 301 CB LEU A 23 2.979 -7.876 4.556 1.00 0.00 C ATOM 302 CG LEU A 23 3.863 -8.958 5.222 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.942 -9.506 4.277 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.565 -8.366 6.450 1.00 0.00 C ATOM 0 H LEU A 23 0.725 -8.372 5.570 1.00 0.00 H new ATOM 0 HA LEU A 23 1.659 -7.578 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.613 -7.295 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.637 -7.199 5.339 1.00 0.00 H new ATOM 0 HG LEU A 23 3.200 -9.778 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.532 -10.261 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.468 -9.954 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.594 -8.693 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.187 -9.130 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.190 -7.527 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.818 -8.019 7.164 1.00 0.00 H new ATOM 316 N ASP A 24 1.561 -10.794 3.769 1.00 0.00 N ATOM 317 CA ASP A 24 1.645 -12.143 3.199 1.00 0.00 C ATOM 318 C ASP A 24 0.698 -12.208 2.007 1.00 0.00 C ATOM 319 O ASP A 24 1.074 -12.665 0.923 1.00 0.00 O ATOM 320 CB ASP A 24 1.299 -13.222 4.235 1.00 0.00 C ATOM 321 CG ASP A 24 1.085 -14.590 3.581 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.015 -15.432 3.608 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.009 -14.839 3.033 1.00 0.00 O ATOM 0 H ASP A 24 1.242 -10.776 4.738 1.00 0.00 H new ATOM 0 HA ASP A 24 2.669 -12.340 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.102 -13.292 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.397 -12.932 4.775 1.00 0.00 H new ATOM 328 N TYR A 25 -0.512 -11.667 2.180 1.00 0.00 N ATOM 329 CA TYR A 25 -1.490 -11.654 1.107 1.00 0.00 C ATOM 330 C TYR A 25 -0.910 -10.863 -0.072 1.00 0.00 C ATOM 331 O TYR A 25 -0.885 -11.339 -1.209 1.00 0.00 O ATOM 332 CB TYR A 25 -2.838 -11.101 1.592 1.00 0.00 C ATOM 333 CG TYR A 25 -3.401 -11.679 2.885 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.225 -10.865 3.687 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.095 -12.988 3.315 1.00 0.00 C ATOM 336 CE1 TYR A 25 -4.711 -11.329 4.921 1.00 0.00 C ATOM 337 CE2 TYR A 25 -3.563 -13.456 4.555 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.366 -12.626 5.365 1.00 0.00 C ATOM 339 OH TYR A 25 -4.798 -13.071 6.572 1.00 0.00 O ATOM 0 H TYR A 25 -0.829 -11.237 3.049 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.694 -12.671 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.735 -10.023 1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.573 -11.260 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.486 -9.873 3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.498 -13.634 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.345 -10.698 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.308 -14.451 4.888 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.471 -13.983 6.721 1.00 0.00 H new ATOM 349 N PHE A 26 -0.428 -9.643 0.177 1.00 0.00 N ATOM 350 CA PHE A 26 0.162 -8.785 -0.840 1.00 0.00 C ATOM 351 C PHE A 26 1.349 -9.409 -1.596 1.00 0.00 C ATOM 352 O PHE A 26 1.455 -9.239 -2.815 1.00 0.00 O ATOM 353 CB PHE A 26 0.596 -7.481 -0.155 1.00 0.00 C ATOM 354 CG PHE A 26 -0.300 -6.317 -0.490 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.100 -5.595 -1.675 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.378 -5.999 0.345 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.956 -4.536 -2.016 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.256 -4.966 -0.004 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.039 -4.221 -1.177 1.00 0.00 C ATOM 0 H PHE A 26 -0.439 -9.222 1.106 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.596 -8.615 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.603 -7.629 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.618 -7.244 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.718 -5.855 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.532 -6.552 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.784 -3.967 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.102 -4.741 0.629 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.703 -3.409 -1.433 1.00 0.00 H new ATOM 369 N THR A 27 2.261 -10.087 -0.898 1.00 0.00 N ATOM 370 CA THR A 27 3.445 -10.700 -1.493 1.00 0.00 C ATOM 371 C THR A 27 3.078 -11.922 -2.322 1.00 0.00 C ATOM 372 O THR A 27 3.660 -12.135 -3.389 1.00 0.00 O ATOM 373 CB THR A 27 4.496 -11.046 -0.419 1.00 0.00 C ATOM 374 OG1 THR A 27 3.970 -11.940 0.533 1.00 0.00 O ATOM 375 CG2 THR A 27 5.022 -9.805 0.302 1.00 0.00 C ATOM 0 H THR A 27 2.195 -10.227 0.110 1.00 0.00 H new ATOM 0 HA THR A 27 3.891 -9.968 -2.166 1.00 0.00 H new ATOM 0 HB THR A 27 5.327 -11.515 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.000 -12.009 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.759 -10.103 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.487 -9.134 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.195 -9.292 0.793 1.00 0.00 H new ATOM 383 N THR A 28 2.136 -12.742 -1.857 1.00 0.00 N ATOM 384 CA THR A 28 1.703 -13.940 -2.570 1.00 0.00 C ATOM 385 C THR A 28 1.030 -13.521 -3.880 1.00 0.00 C ATOM 386 O THR A 28 1.331 -14.083 -4.931 1.00 0.00 O ATOM 387 CB THR A 28 0.819 -14.807 -1.660 1.00 0.00 C ATOM 388 OG1 THR A 28 1.420 -14.934 -0.379 1.00 0.00 O ATOM 389 CG2 THR A 28 0.666 -16.230 -2.207 1.00 0.00 C ATOM 0 H THR A 28 1.651 -12.592 -0.972 1.00 0.00 H new ATOM 0 HA THR A 28 2.553 -14.568 -2.837 1.00 0.00 H new ATOM 0 HB THR A 28 -0.153 -14.316 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.070 -14.239 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.034 -16.812 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.208 -16.193 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.647 -16.699 -2.280 1.00 0.00 H new ATOM 397 N GLN A 29 0.222 -12.457 -3.854 1.00 0.00 N ATOM 398 CA GLN A 29 -0.469 -11.959 -5.040 1.00 0.00 C ATOM 399 C GLN A 29 0.495 -11.280 -6.031 1.00 0.00 C ATOM 400 O GLN A 29 0.122 -11.052 -7.183 1.00 0.00 O ATOM 401 CB GLN A 29 -1.605 -11.029 -4.602 1.00 0.00 C ATOM 402 CG GLN A 29 -2.694 -11.791 -3.833 1.00 0.00 C ATOM 403 CD GLN A 29 -3.751 -10.861 -3.247 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.834 -10.674 -3.801 1.00 0.00 O ATOM 405 NE2 GLN A 29 -3.451 -10.271 -2.105 1.00 0.00 N ATOM 0 H GLN A 29 0.031 -11.919 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.896 -12.802 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.203 -10.234 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.044 -10.552 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.174 -12.506 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.233 -12.365 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.547 -10.442 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.123 -9.644 -1.663 1.00 0.00 H new ATOM 414 N GLY A 30 1.720 -10.956 -5.602 1.00 0.00 N ATOM 415 CA GLY A 30 2.780 -10.333 -6.394 1.00 0.00 C ATOM 416 C GLY A 30 2.452 -8.916 -6.860 1.00 0.00 C ATOM 417 O GLY A 30 2.974 -8.449 -7.876 1.00 0.00 O ATOM 0 H GLY A 30 2.012 -11.132 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.695 -10.308 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.981 -10.955 -7.266 1.00 0.00 H new ATOM 421 N LEU A 31 1.610 -8.222 -6.101 1.00 0.00 N ATOM 422 CA LEU A 31 1.134 -6.870 -6.378 1.00 0.00 C ATOM 423 C LEU A 31 1.555 -5.862 -5.317 1.00 0.00 C ATOM 424 O LEU A 31 0.954 -4.796 -5.191 1.00 0.00 O ATOM 425 CB LEU A 31 -0.374 -6.900 -6.675 1.00 0.00 C ATOM 426 CG LEU A 31 -1.224 -7.743 -5.710 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.339 -7.156 -4.305 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.601 -7.964 -6.311 1.00 0.00 C ATOM 0 H LEU A 31 1.223 -8.603 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 31 1.626 -6.502 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.749 -5.877 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.520 -7.280 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.706 -8.694 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.954 -7.810 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.346 -7.069 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.799 -6.170 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.205 -8.562 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.085 -7.001 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.503 -8.488 -7.262 1.00 0.00 H new ATOM 440 N THR A 32 2.576 -6.184 -4.525 1.00 0.00 N ATOM 441 CA THR A 32 3.016 -5.242 -3.514 1.00 0.00 C ATOM 442 C THR A 32 3.973 -4.267 -4.188 1.00 0.00 C ATOM 443 O THR A 32 5.085 -4.629 -4.584 1.00 0.00 O ATOM 444 CB THR A 32 3.684 -6.069 -2.382 1.00 0.00 C ATOM 445 OG1 THR A 32 4.572 -5.344 -1.566 1.00 0.00 O ATOM 446 CG2 THR A 32 4.490 -7.295 -2.820 1.00 0.00 C ATOM 0 H THR A 32 3.095 -7.061 -4.564 1.00 0.00 H new ATOM 0 HA THR A 32 2.206 -4.660 -3.074 1.00 0.00 H new ATOM 0 HB THR A 32 2.786 -6.374 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.470 -5.632 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.907 -7.789 -1.942 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.838 -7.988 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.300 -6.982 -3.479 1.00 0.00 H new ATOM 454 N THR A 33 3.574 -2.996 -4.233 1.00 0.00 N ATOM 455 CA THR A 33 4.363 -1.918 -4.774 1.00 0.00 C ATOM 456 C THR A 33 3.840 -0.625 -4.142 1.00 0.00 C ATOM 457 O THR A 33 2.646 -0.534 -3.852 1.00 0.00 O ATOM 458 CB THR A 33 4.266 -1.961 -6.316 1.00 0.00 C ATOM 459 OG1 THR A 33 4.332 -0.677 -6.906 1.00 0.00 O ATOM 460 CG2 THR A 33 3.009 -2.704 -6.851 1.00 0.00 C ATOM 0 H THR A 33 2.666 -2.692 -3.881 1.00 0.00 H new ATOM 0 HA THR A 33 5.425 -1.995 -4.540 1.00 0.00 H new ATOM 0 HB THR A 33 5.143 -2.536 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.429 -0.768 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.015 -2.690 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.020 -3.736 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.110 -2.207 -6.487 1.00 0.00 H new ATOM 468 N ILE A 34 4.699 0.369 -3.931 1.00 0.00 N ATOM 469 CA ILE A 34 4.301 1.655 -3.348 1.00 0.00 C ATOM 470 C ILE A 34 3.636 2.578 -4.381 1.00 0.00 C ATOM 471 O ILE A 34 2.515 3.046 -4.218 1.00 0.00 O ATOM 472 CB ILE A 34 5.453 2.421 -2.647 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.544 1.599 -1.924 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.803 3.404 -1.657 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.140 1.001 -0.572 1.00 0.00 C ATOM 0 H ILE A 34 5.692 0.309 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 34 3.577 1.384 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 34 6.014 2.894 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.856 0.787 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.414 2.238 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.580 3.966 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.157 4.094 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.211 2.849 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.980 0.446 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.859 1.803 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.293 0.329 -0.710 1.00 0.00 H new ATOM 487 N TYR A 35 4.352 2.822 -5.475 1.00 0.00 N ATOM 488 CA TYR A 35 3.986 3.703 -6.577 1.00 0.00 C ATOM 489 C TYR A 35 2.690 3.304 -7.266 1.00 0.00 C ATOM 490 O TYR A 35 2.097 4.087 -8.011 1.00 0.00 O ATOM 491 CB TYR A 35 5.140 3.687 -7.584 1.00 0.00 C ATOM 492 CG TYR A 35 6.520 3.797 -6.957 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.321 2.648 -6.807 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.966 5.027 -6.445 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.568 2.726 -6.159 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.210 5.112 -5.797 1.00 0.00 C ATOM 497 CZ TYR A 35 9.020 3.965 -5.652 1.00 0.00 C ATOM 498 OH TYR A 35 10.217 4.060 -5.011 1.00 0.00 O ATOM 0 H TYR A 35 5.260 2.382 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 35 3.813 4.701 -6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.089 2.764 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.006 4.511 -8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.976 1.700 -7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.352 5.909 -6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.178 1.841 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.548 6.061 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 35 10.365 4.987 -4.731 1.00 0.00 H new ATOM 508 N GLN A 36 2.273 2.059 -7.064 1.00 0.00 N ATOM 509 CA GLN A 36 1.051 1.548 -7.659 1.00 0.00 C ATOM 510 C GLN A 36 -0.133 1.909 -6.771 1.00 0.00 C ATOM 511 O GLN A 36 -1.116 2.423 -7.299 1.00 0.00 O ATOM 512 CB GLN A 36 1.183 0.051 -7.922 1.00 0.00 C ATOM 513 CG GLN A 36 1.993 -0.207 -9.210 1.00 0.00 C ATOM 514 CD GLN A 36 1.252 0.108 -10.516 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.241 -0.504 -10.847 1.00 0.00 O ATOM 516 NE2 GLN A 36 1.765 1.005 -11.336 1.00 0.00 N ATOM 0 H GLN A 36 2.771 1.382 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 36 0.873 2.012 -8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.673 -0.430 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.193 -0.396 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.904 0.390 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.298 -1.253 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.605 1.518 -11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.322 1.185 -12.237 1.00 0.00 H new ATOM 525 N ILE A 37 -0.069 1.685 -5.451 1.00 0.00 N ATOM 526 CA ILE A 37 -1.181 2.036 -4.557 1.00 0.00 C ATOM 527 C ILE A 37 -1.424 3.546 -4.532 1.00 0.00 C ATOM 528 O ILE A 37 -2.527 3.983 -4.219 1.00 0.00 O ATOM 529 CB ILE A 37 -0.979 1.508 -3.130 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.316 2.030 -2.488 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.072 -0.027 -3.142 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.316 1.979 -0.967 1.00 0.00 C ATOM 0 H ILE A 37 0.734 1.266 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.065 1.546 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.776 1.893 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.156 1.444 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.478 3.060 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.929 -0.408 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.053 -0.329 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.300 -0.433 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.264 2.364 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.502 2.588 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.186 0.948 -0.638 1.00 0.00 H new ATOM 544 N GLU A 38 -0.404 4.327 -4.883 1.00 0.00 N ATOM 545 CA GLU A 38 -0.436 5.775 -4.941 1.00 0.00 C ATOM 546 C GLU A 38 -1.448 6.229 -6.008 1.00 0.00 C ATOM 547 O GLU A 38 -2.033 7.306 -5.888 1.00 0.00 O ATOM 548 CB GLU A 38 0.994 6.220 -5.282 1.00 0.00 C ATOM 549 CG GLU A 38 1.284 7.695 -4.998 1.00 0.00 C ATOM 550 CD GLU A 38 2.684 8.064 -5.497 1.00 0.00 C ATOM 551 OE1 GLU A 38 2.788 9.004 -6.318 1.00 0.00 O ATOM 552 OE2 GLU A 38 3.666 7.370 -5.154 1.00 0.00 O ATOM 0 H GLU A 38 0.504 3.944 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.754 6.221 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.696 5.609 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.180 6.023 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.538 8.321 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.209 7.889 -3.928 1.00 0.00 H new ATOM 559 N HIS A 39 -1.680 5.394 -7.033 1.00 0.00 N ATOM 560 CA HIS A 39 -2.589 5.620 -8.153 1.00 0.00 C ATOM 561 C HIS A 39 -3.778 4.643 -8.178 1.00 0.00 C ATOM 562 O HIS A 39 -4.793 4.961 -8.803 1.00 0.00 O ATOM 563 CB HIS A 39 -1.780 5.482 -9.451 1.00 0.00 C ATOM 564 CG HIS A 39 -1.028 6.710 -9.901 1.00 0.00 C ATOM 565 ND1 HIS A 39 -0.633 6.952 -11.198 1.00 0.00 N ATOM 566 CD2 HIS A 39 -0.649 7.784 -9.143 1.00 0.00 C ATOM 567 CE1 HIS A 39 -0.040 8.152 -11.236 1.00 0.00 C ATOM 568 NE2 HIS A 39 -0.038 8.701 -10.007 1.00 0.00 N ATOM 0 H HIS A 39 -1.208 4.492 -7.100 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.016 6.617 -8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.065 4.670 -9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.461 5.185 -10.249 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.794 7.902 -8.079 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.375 8.611 -12.121 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.338 9.614 -9.753 1.00 0.00 H new ATOM 576 N TYR A 40 -3.682 3.470 -7.542 1.00 0.00 N ATOM 577 CA TYR A 40 -4.760 2.487 -7.492 1.00 0.00 C ATOM 578 C TYR A 40 -5.767 3.035 -6.476 1.00 0.00 C ATOM 579 O TYR A 40 -5.556 2.939 -5.263 1.00 0.00 O ATOM 580 CB TYR A 40 -4.262 1.073 -7.110 1.00 0.00 C ATOM 581 CG TYR A 40 -3.576 0.218 -8.178 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.460 -0.596 -7.858 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.145 0.112 -9.467 1.00 0.00 C ATOM 584 CE1 TYR A 40 -1.982 -1.530 -8.793 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.626 -0.786 -10.418 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.551 -1.632 -10.078 1.00 0.00 C ATOM 587 OH TYR A 40 -2.043 -2.545 -10.956 1.00 0.00 O ATOM 0 H TYR A 40 -2.842 3.177 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.212 2.356 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.566 1.182 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.119 0.511 -6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.978 -0.498 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.992 0.730 -9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.164 -2.181 -8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.052 -0.827 -11.410 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.160 -2.249 -11.261 1.00 0.00 H new ATOM 597 N SER A 41 -6.826 3.673 -6.971 1.00 0.00 N ATOM 598 CA SER A 41 -7.870 4.261 -6.147 1.00 0.00 C ATOM 599 C SER A 41 -8.699 3.149 -5.505 1.00 0.00 C ATOM 600 O SER A 41 -8.589 1.988 -5.908 1.00 0.00 O ATOM 601 CB SER A 41 -8.732 5.192 -7.010 1.00 0.00 C ATOM 602 OG SER A 41 -7.929 6.030 -7.824 1.00 0.00 O ATOM 0 H SER A 41 -6.981 3.796 -7.972 1.00 0.00 H new ATOM 0 HA SER A 41 -7.433 4.855 -5.345 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.395 4.598 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.365 5.804 -6.368 1.00 0.00 H new ATOM 0 HG SER A 41 -8.505 6.611 -8.364 1.00 0.00 H new ATOM 608 N MET A 42 -9.603 3.512 -4.588 1.00 0.00 N ATOM 609 CA MET A 42 -10.441 2.576 -3.843 1.00 0.00 C ATOM 610 C MET A 42 -11.146 1.518 -4.683 1.00 0.00 C ATOM 611 O MET A 42 -11.263 0.393 -4.208 1.00 0.00 O ATOM 612 CB MET A 42 -11.440 3.340 -2.965 1.00 0.00 C ATOM 613 CG MET A 42 -12.629 3.962 -3.701 1.00 0.00 C ATOM 614 SD MET A 42 -13.673 4.963 -2.612 1.00 0.00 S ATOM 615 CE MET A 42 -15.099 5.129 -3.712 1.00 0.00 C ATOM 0 H MET A 42 -9.773 4.487 -4.341 1.00 0.00 H new ATOM 0 HA MET A 42 -9.751 2.008 -3.219 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.823 2.659 -2.205 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.905 4.133 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.262 4.583 -4.518 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.230 3.170 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 42 -15.870 5.723 -3.221 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.792 5.623 -4.634 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.496 4.141 -3.945 1.00 0.00 H new ATOM 625 N ASP A 43 -11.554 1.850 -5.906 1.00 0.00 N ATOM 626 CA ASP A 43 -12.242 0.948 -6.822 1.00 0.00 C ATOM 627 C ASP A 43 -11.384 -0.295 -7.081 1.00 0.00 C ATOM 628 O ASP A 43 -11.845 -1.426 -6.941 1.00 0.00 O ATOM 629 CB ASP A 43 -12.521 1.682 -8.148 1.00 0.00 C ATOM 630 CG ASP A 43 -13.405 2.917 -7.974 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.621 2.857 -8.267 1.00 0.00 O ATOM 632 OD2 ASP A 43 -12.880 3.965 -7.528 1.00 0.00 O ATOM 0 H ASP A 43 -11.410 2.781 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.186 0.633 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.574 1.981 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.001 0.994 -8.844 1.00 0.00 H new ATOM 637 N ASP A 44 -10.109 -0.093 -7.432 1.00 0.00 N ATOM 638 CA ASP A 44 -9.181 -1.181 -7.726 1.00 0.00 C ATOM 639 C ASP A 44 -8.869 -1.977 -6.473 1.00 0.00 C ATOM 640 O ASP A 44 -8.834 -3.206 -6.533 1.00 0.00 O ATOM 641 CB ASP A 44 -7.874 -0.657 -8.339 1.00 0.00 C ATOM 642 CG ASP A 44 -8.057 -0.427 -9.831 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.731 0.562 -10.188 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.621 -1.255 -10.658 1.00 0.00 O ATOM 0 H ASP A 44 -9.694 0.835 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.668 -1.831 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.581 0.273 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.070 -1.373 -8.169 1.00 0.00 H new ATOM 649 N LEU A 45 -8.629 -1.288 -5.353 1.00 0.00 N ATOM 650 CA LEU A 45 -8.310 -1.922 -4.074 1.00 0.00 C ATOM 651 C LEU A 45 -9.458 -2.851 -3.700 1.00 0.00 C ATOM 652 O LEU A 45 -9.237 -4.010 -3.356 1.00 0.00 O ATOM 653 CB LEU A 45 -8.050 -0.890 -2.951 1.00 0.00 C ATOM 654 CG LEU A 45 -7.109 0.257 -3.343 1.00 0.00 C ATOM 655 CD1 LEU A 45 -7.018 1.243 -2.178 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.720 -0.205 -3.798 1.00 0.00 C ATOM 0 H LEU A 45 -8.651 -0.269 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.385 -2.487 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.004 -0.468 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.630 -1.409 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.537 0.747 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.351 2.063 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.009 1.639 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.628 0.731 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.115 0.663 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.237 -0.756 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.819 -0.852 -4.670 1.00 0.00 H new ATOM 668 N ALA A 46 -10.690 -2.356 -3.778 1.00 0.00 N ATOM 669 CA ALA A 46 -11.858 -3.140 -3.440 1.00 0.00 C ATOM 670 C ALA A 46 -11.966 -4.359 -4.360 1.00 0.00 C ATOM 671 O ALA A 46 -12.183 -5.471 -3.865 1.00 0.00 O ATOM 672 CB ALA A 46 -13.100 -2.255 -3.467 1.00 0.00 C ATOM 0 H ALA A 46 -10.899 -1.403 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.766 -3.528 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.977 -2.850 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.987 -1.447 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.225 -1.834 -4.465 1.00 0.00 H new ATOM 678 N SER A 47 -11.750 -4.186 -5.669 1.00 0.00 N ATOM 679 CA SER A 47 -11.823 -5.286 -6.625 1.00 0.00 C ATOM 680 C SER A 47 -10.739 -6.342 -6.345 1.00 0.00 C ATOM 681 O SER A 47 -10.920 -7.529 -6.640 1.00 0.00 O ATOM 682 CB SER A 47 -11.738 -4.728 -8.045 1.00 0.00 C ATOM 683 OG SER A 47 -12.450 -5.547 -8.954 1.00 0.00 O ATOM 0 H SER A 47 -11.522 -3.285 -6.089 1.00 0.00 H new ATOM 0 HA SER A 47 -12.780 -5.797 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.143 -3.716 -8.067 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.694 -4.660 -8.351 1.00 0.00 H new ATOM 0 HG SER A 47 -12.383 -5.170 -9.856 1.00 0.00 H new ATOM 689 N LEU A 48 -9.619 -5.942 -5.730 1.00 0.00 N ATOM 690 CA LEU A 48 -8.502 -6.810 -5.347 1.00 0.00 C ATOM 691 C LEU A 48 -8.855 -7.623 -4.087 1.00 0.00 C ATOM 692 O LEU A 48 -7.988 -8.270 -3.492 1.00 0.00 O ATOM 693 CB LEU A 48 -7.222 -5.978 -5.167 1.00 0.00 C ATOM 694 CG LEU A 48 -6.621 -5.548 -6.515 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.668 -4.378 -6.296 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.863 -6.710 -7.166 1.00 0.00 C ATOM 0 H LEU A 48 -9.461 -4.967 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.314 -7.528 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.445 -5.093 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.487 -6.560 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.432 -5.247 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.241 -4.072 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.213 -3.542 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.867 -4.682 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.446 -6.384 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.056 -7.032 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.547 -7.541 -7.335 1.00 0.00 H new ATOM 708 N LYS A 49 -10.136 -7.602 -3.685 1.00 0.00 N ATOM 709 CA LYS A 49 -10.764 -8.278 -2.549 1.00 0.00 C ATOM 710 C LYS A 49 -10.428 -7.633 -1.208 1.00 0.00 C ATOM 711 O LYS A 49 -10.829 -8.144 -0.164 1.00 0.00 O ATOM 712 CB LYS A 49 -10.495 -9.789 -2.592 1.00 0.00 C ATOM 713 CG LYS A 49 -11.014 -10.448 -3.887 1.00 0.00 C ATOM 714 CD LYS A 49 -12.510 -10.766 -3.797 1.00 0.00 C ATOM 715 CE LYS A 49 -12.754 -12.217 -3.364 1.00 0.00 C ATOM 716 NZ LYS A 49 -12.208 -12.525 -2.027 1.00 0.00 N ATOM 0 H LYS A 49 -10.823 -7.054 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.842 -8.148 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.423 -9.966 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.969 -10.263 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.833 -9.784 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.457 -11.365 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.984 -10.089 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.979 -10.591 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.826 -12.414 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.305 -12.888 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.449 -13.504 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.174 -12.415 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.616 -11.873 -1.327 1.00 0.00 H new ATOM 730 N ILE A 50 -9.685 -6.531 -1.234 1.00 0.00 N ATOM 731 CA ILE A 50 -9.290 -5.760 -0.067 1.00 0.00 C ATOM 732 C ILE A 50 -10.619 -5.208 0.462 1.00 0.00 C ATOM 733 O ILE A 50 -11.288 -4.466 -0.263 1.00 0.00 O ATOM 734 CB ILE A 50 -8.303 -4.640 -0.459 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.148 -5.101 -1.383 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.730 -4.034 0.820 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.131 -6.039 -0.729 1.00 0.00 C ATOM 0 H ILE A 50 -9.329 -6.138 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.763 -6.347 0.685 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.866 -3.908 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.576 -5.602 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.623 -4.219 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.029 -3.239 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.540 -3.623 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.211 -4.806 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.363 -6.305 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.669 -5.538 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.636 -6.942 -0.387 1.00 0.00 H new ATOM 749 N PRO A 51 -11.077 -5.584 1.664 1.00 0.00 N ATOM 750 CA PRO A 51 -12.339 -5.068 2.160 1.00 0.00 C ATOM 751 C PRO A 51 -12.199 -3.591 2.492 1.00 0.00 C ATOM 752 O PRO A 51 -11.136 -3.152 2.936 1.00 0.00 O ATOM 753 CB PRO A 51 -12.644 -5.892 3.404 1.00 0.00 C ATOM 754 CG PRO A 51 -11.275 -6.354 3.904 1.00 0.00 C ATOM 755 CD PRO A 51 -10.428 -6.449 2.636 1.00 0.00 C ATOM 0 HA PRO A 51 -13.143 -5.147 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.161 -5.297 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.288 -6.740 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.850 -5.645 4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.340 -7.316 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.404 -6.127 2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.378 -7.476 2.274 1.00 0.00 H new ATOM 763 N GLU A 52 -13.292 -2.838 2.385 1.00 0.00 N ATOM 764 CA GLU A 52 -13.342 -1.412 2.683 1.00 0.00 C ATOM 765 C GLU A 52 -12.825 -1.155 4.104 1.00 0.00 C ATOM 766 O GLU A 52 -12.092 -0.192 4.339 1.00 0.00 O ATOM 767 CB GLU A 52 -14.757 -0.862 2.430 1.00 0.00 C ATOM 768 CG GLU A 52 -15.871 -1.532 3.259 1.00 0.00 C ATOM 769 CD GLU A 52 -17.284 -1.096 2.849 1.00 0.00 C ATOM 770 OE1 GLU A 52 -17.478 -0.589 1.722 1.00 0.00 O ATOM 771 OE2 GLU A 52 -18.216 -1.265 3.672 1.00 0.00 O ATOM 0 H GLU A 52 -14.190 -3.215 2.081 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.681 -0.865 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.759 0.207 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.992 -0.977 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.789 -2.614 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.719 -1.299 4.313 1.00 0.00 H new ATOM 778 N GLN A 53 -13.122 -2.090 5.014 1.00 0.00 N ATOM 779 CA GLN A 53 -12.748 -2.103 6.422 1.00 0.00 C ATOM 780 C GLN A 53 -11.226 -2.116 6.645 1.00 0.00 C ATOM 781 O GLN A 53 -10.770 -1.876 7.763 1.00 0.00 O ATOM 782 CB GLN A 53 -13.366 -3.350 7.081 1.00 0.00 C ATOM 783 CG GLN A 53 -14.898 -3.460 6.981 1.00 0.00 C ATOM 784 CD GLN A 53 -15.624 -2.464 7.880 1.00 0.00 C ATOM 785 OE1 GLN A 53 -16.240 -1.506 7.419 1.00 0.00 O ATOM 786 NE2 GLN A 53 -15.617 -2.678 9.184 1.00 0.00 N ATOM 0 H GLN A 53 -13.669 -2.913 4.762 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.125 -1.183 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.925 -4.237 6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.086 -3.360 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.202 -3.297 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.203 -4.472 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.106 -3.473 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.123 -2.048 9.807 1.00 0.00 H new ATOM 795 N PHE A 54 -10.427 -2.407 5.615 1.00 0.00 N ATOM 796 CA PHE A 54 -8.969 -2.453 5.663 1.00 0.00 C ATOM 797 C PHE A 54 -8.360 -1.559 4.592 1.00 0.00 C ATOM 798 O PHE A 54 -7.386 -0.868 4.874 1.00 0.00 O ATOM 799 CB PHE A 54 -8.472 -3.886 5.501 1.00 0.00 C ATOM 800 CG PHE A 54 -6.970 -3.973 5.369 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.405 -4.053 4.087 1.00 0.00 C ATOM 802 CD2 PHE A 54 -6.140 -3.899 6.500 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.008 -4.070 3.928 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.745 -3.911 6.342 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.177 -3.994 5.060 1.00 0.00 C ATOM 0 H PHE A 54 -10.796 -2.625 4.689 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.653 -2.082 6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.791 -4.476 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.936 -4.329 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.046 -4.102 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.573 -3.833 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.575 -4.141 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.105 -3.856 7.211 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.103 -3.999 4.944 1.00 0.00 H new ATOM 815 N ARG A 55 -8.933 -1.493 3.385 1.00 0.00 N ATOM 816 CA ARG A 55 -8.425 -0.654 2.304 1.00 0.00 C ATOM 817 C ARG A 55 -8.240 0.795 2.774 1.00 0.00 C ATOM 818 O ARG A 55 -7.301 1.447 2.328 1.00 0.00 O ATOM 819 CB ARG A 55 -9.268 -0.846 1.030 1.00 0.00 C ATOM 820 CG ARG A 55 -10.466 0.105 0.870 1.00 0.00 C ATOM 821 CD ARG A 55 -10.058 1.404 0.167 1.00 0.00 C ATOM 822 NE ARG A 55 -10.963 2.520 0.479 1.00 0.00 N ATOM 823 CZ ARG A 55 -10.690 3.807 0.241 1.00 0.00 C ATOM 824 NH1 ARG A 55 -9.496 4.201 -0.196 1.00 0.00 N ATOM 825 NH2 ARG A 55 -11.619 4.723 0.441 1.00 0.00 N ATOM 0 H ARG A 55 -9.766 -2.025 3.134 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.422 -0.971 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.616 -0.727 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.637 -1.871 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.251 -0.389 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.883 0.335 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.043 1.670 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.044 1.242 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.862 2.297 0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.760 3.514 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.317 5.190 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.542 4.448 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.414 5.706 0.260 1.00 0.00 H new ATOM 839 N HIS A 56 -9.092 1.305 3.677 1.00 0.00 N ATOM 840 CA HIS A 56 -8.936 2.665 4.187 1.00 0.00 C ATOM 841 C HIS A 56 -7.611 2.786 4.955 1.00 0.00 C ATOM 842 O HIS A 56 -7.038 3.863 4.979 1.00 0.00 O ATOM 843 CB HIS A 56 -10.080 3.050 5.143 1.00 0.00 C ATOM 844 CG HIS A 56 -11.395 3.422 4.500 1.00 0.00 C ATOM 845 ND1 HIS A 56 -12.473 2.587 4.332 1.00 0.00 N ATOM 846 CD2 HIS A 56 -11.822 4.692 4.217 1.00 0.00 C ATOM 847 CE1 HIS A 56 -13.521 3.332 3.944 1.00 0.00 C ATOM 848 NE2 HIS A 56 -13.171 4.629 3.848 1.00 0.00 N ATOM 0 H HIS A 56 -9.888 0.797 4.063 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.950 3.336 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.255 2.214 5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -9.748 3.890 5.753 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.477 1.577 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.221 5.588 4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.508 2.945 3.738 1.00 0.00 H new ATOM 856 N ALA A 57 -7.129 1.731 5.624 1.00 0.00 N ATOM 857 CA ALA A 57 -5.883 1.764 6.384 1.00 0.00 C ATOM 858 C ALA A 57 -4.692 1.941 5.453 1.00 0.00 C ATOM 859 O ALA A 57 -3.876 2.841 5.665 1.00 0.00 O ATOM 860 CB ALA A 57 -5.706 0.493 7.220 1.00 0.00 C ATOM 0 H ALA A 57 -7.600 0.826 5.650 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.935 2.616 7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.769 0.549 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.536 0.400 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.687 -0.376 6.562 1.00 0.00 H new ATOM 866 N ILE A 58 -4.570 1.077 4.443 1.00 0.00 N ATOM 867 CA ILE A 58 -3.468 1.167 3.495 1.00 0.00 C ATOM 868 C ILE A 58 -3.510 2.511 2.760 1.00 0.00 C ATOM 869 O ILE A 58 -2.520 3.248 2.749 1.00 0.00 O ATOM 870 CB ILE A 58 -3.458 -0.055 2.541 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.523 0.228 1.346 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.828 -0.546 2.054 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.222 -0.979 0.453 1.00 0.00 C ATOM 0 H ILE A 58 -5.220 0.312 4.265 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.522 1.134 4.035 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.086 -0.882 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.970 1.011 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.581 0.621 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.694 -1.403 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.435 -0.839 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.329 0.255 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.558 -0.676 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.742 -1.758 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.152 -1.363 0.034 1.00 0.00 H new ATOM 885 N TRP A 59 -4.663 2.825 2.169 1.00 0.00 N ATOM 886 CA TRP A 59 -4.843 4.042 1.406 1.00 0.00 C ATOM 887 C TRP A 59 -4.609 5.286 2.252 1.00 0.00 C ATOM 888 O TRP A 59 -3.827 6.136 1.842 1.00 0.00 O ATOM 889 CB TRP A 59 -6.188 4.041 0.680 1.00 0.00 C ATOM 890 CG TRP A 59 -6.181 4.803 -0.608 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.508 4.431 -1.722 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.820 6.072 -0.939 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.743 5.336 -2.733 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.557 6.365 -2.310 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.584 7.012 -0.216 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.054 7.517 -2.936 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.082 8.173 -0.837 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.824 8.427 -2.196 1.00 0.00 C ATOM 0 H TRP A 59 -5.495 2.236 2.211 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.076 4.073 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.481 3.010 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.946 4.466 1.338 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.881 3.556 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.363 5.255 -3.676 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.790 6.838 0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.846 7.702 -3.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.668 8.876 -0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.216 9.316 -2.667 1.00 0.00 H new ATOM 909 N LYS A 60 -5.221 5.407 3.436 1.00 0.00 N ATOM 910 CA LYS A 60 -4.999 6.591 4.262 1.00 0.00 C ATOM 911 C LYS A 60 -3.542 6.696 4.654 1.00 0.00 C ATOM 912 O LYS A 60 -3.039 7.805 4.710 1.00 0.00 O ATOM 913 CB LYS A 60 -5.855 6.578 5.537 1.00 0.00 C ATOM 914 CG LYS A 60 -5.899 7.957 6.227 1.00 0.00 C ATOM 915 CD LYS A 60 -5.038 8.095 7.491 1.00 0.00 C ATOM 916 CE LYS A 60 -5.603 7.435 8.759 1.00 0.00 C ATOM 917 NZ LYS A 60 -6.907 7.974 9.194 1.00 0.00 N ATOM 0 H LYS A 60 -5.858 4.716 3.833 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.291 7.452 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.869 6.266 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.456 5.839 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.582 8.713 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.934 8.180 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.056 7.667 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.888 9.156 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.706 6.364 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.884 7.557 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.178 7.538 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.834 9.004 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.628 7.759 8.476 1.00 0.00 H new ATOM 931 N GLY A 61 -2.867 5.578 4.931 1.00 0.00 N ATOM 932 CA GLY A 61 -1.468 5.653 5.332 1.00 0.00 C ATOM 933 C GLY A 61 -0.622 6.312 4.245 1.00 0.00 C ATOM 934 O GLY A 61 0.110 7.266 4.513 1.00 0.00 O ATOM 0 H GLY A 61 -3.256 4.636 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.382 6.220 6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.090 4.651 5.535 1.00 0.00 H new ATOM 938 N ILE A 62 -0.754 5.837 3.006 1.00 0.00 N ATOM 939 CA ILE A 62 0.020 6.391 1.894 1.00 0.00 C ATOM 940 C ILE A 62 -0.419 7.790 1.506 1.00 0.00 C ATOM 941 O ILE A 62 0.431 8.652 1.319 1.00 0.00 O ATOM 942 CB ILE A 62 0.035 5.429 0.700 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.256 5.643 -0.223 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.237 5.402 -0.170 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.605 5.336 0.435 1.00 0.00 C ATOM 0 H ILE A 62 -1.383 5.077 2.748 1.00 0.00 H new ATOM 0 HA ILE A 62 1.047 6.497 2.243 1.00 0.00 H new ATOM 0 HB ILE A 62 0.093 4.460 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.144 5.014 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.260 6.677 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.108 4.686 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.090 5.108 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.414 6.394 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.408 5.512 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.743 5.983 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.625 4.294 0.754 1.00 0.00 H new ATOM 957 N LEU A 63 -1.727 8.029 1.407 1.00 0.00 N ATOM 958 CA LEU A 63 -2.243 9.341 1.048 1.00 0.00 C ATOM 959 C LEU A 63 -1.787 10.345 2.088 1.00 0.00 C ATOM 960 O LEU A 63 -1.544 11.497 1.751 1.00 0.00 O ATOM 961 CB LEU A 63 -3.783 9.347 0.969 1.00 0.00 C ATOM 962 CG LEU A 63 -4.360 9.178 -0.446 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.185 10.453 -1.277 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.782 7.989 -1.217 1.00 0.00 C ATOM 0 H LEU A 63 -2.447 7.325 1.572 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.859 9.604 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.168 8.546 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.150 10.285 1.385 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.420 8.976 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.604 10.299 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.702 11.279 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.124 10.689 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.240 7.939 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.704 8.113 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.990 7.067 -0.673 1.00 0.00 H new ATOM 976 N ASP A 64 -1.691 9.913 3.344 1.00 0.00 N ATOM 977 CA ASP A 64 -1.283 10.813 4.422 1.00 0.00 C ATOM 978 C ASP A 64 0.198 11.129 4.300 1.00 0.00 C ATOM 979 O ASP A 64 0.590 12.266 4.518 1.00 0.00 O ATOM 980 CB ASP A 64 -1.612 10.220 5.799 1.00 0.00 C ATOM 981 CG ASP A 64 -1.362 11.180 6.961 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.425 10.944 7.760 1.00 0.00 O ATOM 983 OD2 ASP A 64 -2.242 12.032 7.235 1.00 0.00 O ATOM 0 H ASP A 64 -1.888 8.957 3.639 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.846 11.742 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.658 9.914 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.015 9.320 5.949 1.00 0.00 H new ATOM 988 N HIS A 65 1.006 10.131 3.945 1.00 0.00 N ATOM 989 CA HIS A 65 2.450 10.229 3.793 1.00 0.00 C ATOM 990 C HIS A 65 2.803 11.133 2.622 1.00 0.00 C ATOM 991 O HIS A 65 3.605 12.052 2.756 1.00 0.00 O ATOM 992 CB HIS A 65 3.061 8.833 3.600 1.00 0.00 C ATOM 993 CG HIS A 65 4.546 8.861 3.304 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.499 9.657 3.911 1.00 0.00 N ATOM 995 CD2 HIS A 65 5.151 8.230 2.250 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.639 9.532 3.209 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.482 8.662 2.196 1.00 0.00 N ATOM 0 H HIS A 65 0.654 9.194 3.748 1.00 0.00 H new ATOM 0 HA HIS A 65 2.866 10.667 4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.889 8.242 4.499 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.545 8.329 2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.684 7.524 1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.556 10.059 3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.191 8.374 1.522 1.00 0.00 H new ATOM 1005 N ARG A 66 2.206 10.870 1.464 1.00 0.00 N ATOM 1006 CA ARG A 66 2.472 11.656 0.269 1.00 0.00 C ATOM 1007 C ARG A 66 1.910 13.054 0.460 1.00 0.00 C ATOM 1008 O ARG A 66 2.422 13.994 -0.143 1.00 0.00 O ATOM 1009 CB ARG A 66 2.022 10.921 -1.008 1.00 0.00 C ATOM 1010 CG ARG A 66 0.504 10.790 -1.217 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.151 11.984 -1.919 1.00 0.00 C ATOM 1012 NE ARG A 66 0.339 12.142 -3.302 1.00 0.00 N ATOM 1013 CZ ARG A 66 -0.198 12.873 -4.284 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -1.312 13.573 -4.085 1.00 0.00 N ATOM 1015 NH2 ARG A 66 0.387 12.891 -5.472 1.00 0.00 N ATOM 0 H ARG A 66 1.533 10.116 1.330 1.00 0.00 H new ATOM 0 HA ARG A 66 3.545 11.779 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.443 11.441 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.454 9.920 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.308 9.890 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.028 10.651 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.233 11.851 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.053 12.894 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 66 1.190 11.632 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.769 13.557 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.709 14.126 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.238 12.351 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.013 13.445 -6.229 1.00 0.00 H new ATOM 1029 N GLN A 67 0.851 13.212 1.270 1.00 0.00 N ATOM 1030 CA GLN A 67 0.320 14.540 1.499 1.00 0.00 C ATOM 1031 C GLN A 67 1.185 15.289 2.531 1.00 0.00 C ATOM 1032 O GLN A 67 1.196 16.520 2.523 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.142 14.398 1.938 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.838 15.712 2.250 1.00 0.00 C ATOM 1035 CD GLN A 67 -1.765 16.694 1.088 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -2.333 16.474 0.019 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -1.033 17.781 1.252 1.00 0.00 N ATOM 0 H GLN A 67 0.368 12.457 1.757 1.00 0.00 H new ATOM 0 HA GLN A 67 0.349 15.138 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.696 13.886 1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.182 13.762 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.882 15.518 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.382 16.162 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.567 17.952 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.934 18.449 0.488 1.00 0.00 H new ATOM 1046 N LEU A 68 1.911 14.579 3.406 1.00 0.00 N ATOM 1047 CA LEU A 68 2.750 15.174 4.445 1.00 0.00 C ATOM 1048 C LEU A 68 4.195 15.423 4.020 1.00 0.00 C ATOM 1049 O LEU A 68 4.825 16.333 4.569 1.00 0.00 O ATOM 1050 CB LEU A 68 2.607 14.365 5.751 1.00 0.00 C ATOM 1051 CG LEU A 68 3.537 13.163 6.012 1.00 0.00 C ATOM 1052 CD1 LEU A 68 4.899 13.557 6.577 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.874 12.248 7.050 1.00 0.00 C ATOM 0 H LEU A 68 1.929 13.559 3.408 1.00 0.00 H new ATOM 0 HA LEU A 68 2.382 16.183 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.734 15.061 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.581 13.999 5.796 1.00 0.00 H new ATOM 0 HG LEU A 68 3.694 12.678 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.500 12.662 6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.408 14.216 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.763 14.075 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.520 11.392 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.715 12.802 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.915 11.899 6.667 1.00 0.00 H new ATOM 1065 N HIS A 69 4.720 14.643 3.076 1.00 0.00 N ATOM 1066 CA HIS A 69 6.070 14.760 2.557 1.00 0.00 C ATOM 1067 C HIS A 69 5.962 14.772 1.041 1.00 0.00 C ATOM 1068 O HIS A 69 5.499 13.809 0.428 1.00 0.00 O ATOM 1069 CB HIS A 69 6.980 13.627 3.044 1.00 0.00 C ATOM 1070 CG HIS A 69 8.441 13.927 2.806 1.00 0.00 C ATOM 1071 ND1 HIS A 69 9.035 14.254 1.605 1.00 0.00 N ATOM 1072 CD2 HIS A 69 9.419 13.920 3.761 1.00 0.00 C ATOM 1073 CE1 HIS A 69 10.350 14.408 1.832 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.635 14.244 3.140 1.00 0.00 N ATOM 0 H HIS A 69 4.193 13.887 2.640 1.00 0.00 H new ATOM 0 HA HIS A 69 6.531 15.678 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.813 13.461 4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.712 12.703 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.280 13.703 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.081 14.633 1.069 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.547 14.337 3.586 1.00 0.00 H new ATOM 1082 N ASP A 70 6.388 15.887 0.462 1.00 0.00 N ATOM 1083 CA ASP A 70 6.385 16.148 -0.974 1.00 0.00 C ATOM 1084 C ASP A 70 7.366 15.241 -1.699 1.00 0.00 C ATOM 1085 O ASP A 70 7.354 15.261 -2.948 1.00 0.00 O ATOM 1086 CB ASP A 70 6.747 17.616 -1.260 1.00 0.00 C ATOM 1087 CG ASP A 70 5.956 18.596 -0.405 1.00 0.00 C ATOM 1088 OD1 ASP A 70 6.501 18.977 0.657 1.00 0.00 O ATOM 1089 OD2 ASP A 70 4.796 18.936 -0.738 1.00 0.00 O ATOM 0 H ASP A 70 6.761 16.668 1.002 1.00 0.00 H new ATOM 0 HA ASP A 70 5.379 15.944 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.812 17.764 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.566 17.832 -2.313 1.00 0.00 H new TER 1094 ASP A 70