USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.919 X(o=-0.92,f=-0.55) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 163:sc= -0.457 (180deg=-0.605) USER MOD Single : A 25 THR OG1 : rot -110:sc= -6.86! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0262 K(o=-0.026,f=-1.4!) USER MOD Single : A 35 SER OG : rot 18:sc= 0.266 USER MOD Single : A 48 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.016) USER MOD Single : A 50 SER OG : rot -55:sc= 0.66 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.141 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -105:sc= 0.0179 USER MOD Single : A 82 THR OG1 : rot 131:sc= -1.32 USER MOD Single : A 87 ASN : amide:sc= -1.61! C(o=-1.6!,f=-3.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 90:sc= 1.2 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-6!) USER MOD Single : A 114 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.168 4.584 -6.306 1.00 0.00 N ATOM 2 CA MET A 1 -21.093 5.733 -6.490 1.00 0.00 C ATOM 3 C MET A 1 -22.510 5.258 -6.794 1.00 0.00 C ATOM 4 O MET A 1 -22.772 4.692 -7.856 1.00 0.00 O ATOM 5 CB MET A 1 -20.570 6.600 -7.637 1.00 0.00 C ATOM 6 CG MET A 1 -20.510 8.081 -7.301 1.00 0.00 C ATOM 7 SD MET A 1 -19.713 9.056 -8.590 1.00 0.00 S ATOM 8 CE MET A 1 -19.216 10.504 -7.661 1.00 0.00 C ATOM 0 H1 MET A 1 -19.212 4.938 -6.101 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.498 3.996 -5.514 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.147 4.013 -7.175 1.00 0.00 H new ATOM 0 HA MET A 1 -21.132 6.312 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.573 6.258 -7.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.209 6.459 -8.509 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.522 8.454 -7.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.970 8.215 -6.364 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.707 11.204 -8.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.097 10.983 -7.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.540 10.207 -6.859 1.00 0.00 H new ATOM 20 N ALA A 2 -23.421 5.493 -5.855 1.00 0.00 N ATOM 21 CA ALA A 2 -24.812 5.088 -6.022 1.00 0.00 C ATOM 22 C ALA A 2 -25.530 5.992 -7.019 1.00 0.00 C ATOM 23 O ALA A 2 -26.039 7.052 -6.656 1.00 0.00 O ATOM 24 CB ALA A 2 -25.529 5.103 -4.681 1.00 0.00 C ATOM 0 H ALA A 2 -23.221 5.961 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 2 -24.825 4.072 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.566 4.799 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.036 4.412 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.499 6.109 -4.263 1.00 0.00 H new ATOM 30 N ASP A 3 -25.567 5.564 -8.277 1.00 0.00 N ATOM 31 CA ASP A 3 -26.221 6.335 -9.328 1.00 0.00 C ATOM 32 C ASP A 3 -27.219 5.474 -10.094 1.00 0.00 C ATOM 33 O ASP A 3 -28.357 5.883 -10.327 1.00 0.00 O ATOM 34 CB ASP A 3 -25.181 6.907 -10.290 1.00 0.00 C ATOM 35 CG ASP A 3 -25.809 7.704 -11.416 1.00 0.00 C ATOM 36 OD1 ASP A 3 -27.045 7.883 -11.398 1.00 0.00 O ATOM 37 OD2 ASP A 3 -25.066 8.150 -12.315 1.00 0.00 O ATOM 0 H ASP A 3 -25.152 4.688 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 3 -26.763 7.156 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -24.492 7.546 -9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -24.592 6.092 -10.710 1.00 0.00 H new ATOM 42 N PHE A 4 -26.786 4.280 -10.484 1.00 0.00 N ATOM 43 CA PHE A 4 -27.641 3.362 -11.227 1.00 0.00 C ATOM 44 C PHE A 4 -28.487 2.516 -10.281 1.00 0.00 C ATOM 45 O PHE A 4 -29.568 2.053 -10.645 1.00 0.00 O ATOM 46 CB PHE A 4 -26.793 2.453 -12.120 1.00 0.00 C ATOM 47 CG PHE A 4 -25.817 1.603 -11.357 1.00 0.00 C ATOM 48 CD1 PHE A 4 -24.552 2.080 -11.055 1.00 0.00 C ATOM 49 CD2 PHE A 4 -26.165 0.328 -10.940 1.00 0.00 C ATOM 50 CE1 PHE A 4 -23.651 1.302 -10.354 1.00 0.00 C ATOM 51 CE2 PHE A 4 -25.268 -0.455 -10.239 1.00 0.00 C ATOM 52 CZ PHE A 4 -24.010 0.032 -9.945 1.00 0.00 C ATOM 0 H PHE A 4 -25.848 3.925 -10.298 1.00 0.00 H new ATOM 0 HA PHE A 4 -28.310 3.955 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -27.453 1.805 -12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -26.246 3.068 -12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -24.267 3.072 -11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -27.148 -0.058 -11.165 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -22.668 1.686 -10.126 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -25.551 -1.448 -9.921 1.00 0.00 H new ATOM 0 HZ PHE A 4 -23.308 -0.578 -9.396 1.00 0.00 H new ATOM 62 N ASP A 5 -27.988 2.319 -9.065 1.00 0.00 N ATOM 63 CA ASP A 5 -28.699 1.529 -8.066 1.00 0.00 C ATOM 64 C ASP A 5 -28.989 2.359 -6.820 1.00 0.00 C ATOM 65 O ASP A 5 -28.119 3.076 -6.325 1.00 0.00 O ATOM 66 CB ASP A 5 -27.882 0.291 -7.689 1.00 0.00 C ATOM 67 CG ASP A 5 -28.726 -0.779 -7.026 1.00 0.00 C ATOM 68 OD1 ASP A 5 -29.963 -0.611 -6.970 1.00 0.00 O ATOM 69 OD2 ASP A 5 -28.150 -1.786 -6.562 1.00 0.00 O ATOM 0 H ASP A 5 -27.095 2.695 -8.748 1.00 0.00 H new ATOM 0 HA ASP A 5 -29.648 1.213 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -27.417 -0.120 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -27.076 0.582 -7.016 1.00 0.00 H new ATOM 74 N ASN A 6 -30.215 2.259 -6.318 1.00 0.00 N ATOM 75 CA ASN A 6 -30.618 3.002 -5.131 1.00 0.00 C ATOM 76 C ASN A 6 -31.278 2.084 -4.107 1.00 0.00 C ATOM 77 O ASN A 6 -32.453 2.249 -3.779 1.00 0.00 O ATOM 78 CB ASN A 6 -31.578 4.132 -5.513 1.00 0.00 C ATOM 79 CG ASN A 6 -32.789 3.629 -6.273 1.00 0.00 C ATOM 80 OD1 ASN A 6 -33.893 3.563 -5.733 1.00 0.00 O ATOM 81 ND2 ASN A 6 -32.587 3.269 -7.536 1.00 0.00 N ATOM 0 H ASN A 6 -30.947 1.670 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 6 -29.722 3.430 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -31.907 4.646 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -31.049 4.865 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -33.364 2.922 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -31.655 3.340 -7.944 1.00 0.00 H new ATOM 88 N LEU A 7 -30.516 1.118 -3.606 1.00 0.00 N ATOM 89 CA LEU A 7 -31.026 0.179 -2.615 1.00 0.00 C ATOM 90 C LEU A 7 -30.882 0.746 -1.206 1.00 0.00 C ATOM 91 O LEU A 7 -29.871 0.529 -0.539 1.00 0.00 O ATOM 92 CB LEU A 7 -30.287 -1.156 -2.718 1.00 0.00 C ATOM 93 CG LEU A 7 -31.046 -2.263 -3.452 1.00 0.00 C ATOM 94 CD1 LEU A 7 -32.218 -2.752 -2.615 1.00 0.00 C ATOM 95 CD2 LEU A 7 -31.526 -1.770 -4.809 1.00 0.00 C ATOM 0 H LEU A 7 -29.543 0.965 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 7 -32.085 0.016 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -29.337 -0.990 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -30.053 -1.503 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 7 -30.366 -3.100 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -32.746 -3.539 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -31.850 -3.145 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -32.900 -1.923 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -32.064 -2.570 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -32.190 -0.916 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -30.668 -1.470 -5.411 1.00 0.00 H new ATOM 107 N PHE A 8 -31.900 1.477 -0.762 1.00 0.00 N ATOM 108 CA PHE A 8 -31.885 2.083 0.565 1.00 0.00 C ATOM 109 C PHE A 8 -31.504 1.062 1.631 1.00 0.00 C ATOM 110 O PHE A 8 -31.583 -0.146 1.404 1.00 0.00 O ATOM 111 CB PHE A 8 -33.254 2.686 0.888 1.00 0.00 C ATOM 112 CG PHE A 8 -34.339 1.662 1.062 1.00 0.00 C ATOM 113 CD1 PHE A 8 -34.513 1.020 2.277 1.00 0.00 C ATOM 114 CD2 PHE A 8 -35.185 1.344 0.012 1.00 0.00 C ATOM 115 CE1 PHE A 8 -35.511 0.077 2.442 1.00 0.00 C ATOM 116 CE2 PHE A 8 -36.184 0.402 0.169 1.00 0.00 C ATOM 117 CZ PHE A 8 -36.348 -0.232 1.386 1.00 0.00 C ATOM 0 H PHE A 8 -32.745 1.664 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 8 -31.135 2.874 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -33.175 3.277 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -33.537 3.370 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -33.862 1.259 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -35.062 1.838 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -35.636 -0.417 3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -36.836 0.162 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 8 -37.129 -0.968 1.512 1.00 0.00 H new ATOM 127 N ASP A 9 -31.089 1.555 2.793 1.00 0.00 N ATOM 128 CA ASP A 9 -30.694 0.686 3.896 1.00 0.00 C ATOM 129 C ASP A 9 -31.328 1.143 5.204 1.00 0.00 C ATOM 130 O ASP A 9 -31.027 2.226 5.707 1.00 0.00 O ATOM 131 CB ASP A 9 -29.169 0.664 4.035 1.00 0.00 C ATOM 132 CG ASP A 9 -28.579 2.057 4.135 1.00 0.00 C ATOM 133 OD1 ASP A 9 -28.527 2.600 5.259 1.00 0.00 O ATOM 134 OD2 ASP A 9 -28.167 2.604 3.091 1.00 0.00 O ATOM 0 H ASP A 9 -31.017 2.552 2.996 1.00 0.00 H new ATOM 0 HA ASP A 9 -31.047 -0.321 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -28.896 0.092 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -28.736 0.149 3.177 1.00 0.00 H new ATOM 139 N ALA A 10 -32.208 0.312 5.752 1.00 0.00 N ATOM 140 CA ALA A 10 -32.885 0.630 7.004 1.00 0.00 C ATOM 141 C ALA A 10 -33.555 -0.604 7.592 1.00 0.00 C ATOM 142 O ALA A 10 -33.314 -0.963 8.745 1.00 0.00 O ATOM 143 CB ALA A 10 -33.905 1.736 6.787 1.00 0.00 C ATOM 0 H ALA A 10 -32.469 -0.588 5.348 1.00 0.00 H new ATOM 0 HA ALA A 10 -32.136 0.978 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -34.402 1.963 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -33.400 2.629 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -34.645 1.410 6.056 1.00 0.00 H new ATOM 149 N ALA A 11 -34.396 -1.252 6.795 1.00 0.00 N ATOM 150 CA ALA A 11 -35.094 -2.449 7.241 1.00 0.00 C ATOM 151 C ALA A 11 -34.593 -3.682 6.499 1.00 0.00 C ATOM 152 O ALA A 11 -35.378 -4.548 6.109 1.00 0.00 O ATOM 153 CB ALA A 11 -36.596 -2.289 7.054 1.00 0.00 C ATOM 0 H ALA A 11 -34.610 -0.969 5.839 1.00 0.00 H new ATOM 0 HA ALA A 11 -34.887 -2.586 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -37.103 -3.193 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -36.946 -1.437 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -36.816 -2.123 5.999 1.00 0.00 H new ATOM 159 N ILE A 12 -33.281 -3.754 6.303 1.00 0.00 N ATOM 160 CA ILE A 12 -32.672 -4.879 5.602 1.00 0.00 C ATOM 161 C ILE A 12 -31.256 -5.137 6.106 1.00 0.00 C ATOM 162 O ILE A 12 -30.869 -6.282 6.345 1.00 0.00 O ATOM 163 CB ILE A 12 -32.630 -4.637 4.082 1.00 0.00 C ATOM 164 CG1 ILE A 12 -31.999 -5.835 3.368 1.00 0.00 C ATOM 165 CG2 ILE A 12 -31.862 -3.362 3.769 1.00 0.00 C ATOM 166 CD1 ILE A 12 -32.141 -5.785 1.863 1.00 0.00 C ATOM 0 H ILE A 12 -32.618 -3.046 6.620 1.00 0.00 H new ATOM 0 HA ILE A 12 -33.291 -5.753 5.805 1.00 0.00 H new ATOM 0 HB ILE A 12 -33.652 -4.520 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -30.940 -5.884 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -32.459 -6.751 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -31.841 -3.205 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -32.352 -2.515 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -30.842 -3.451 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -31.671 -6.665 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -33.198 -5.768 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -31.656 -4.886 1.481 1.00 0.00 H new ATOM 178 N ALA A 13 -30.486 -4.065 6.268 1.00 0.00 N ATOM 179 CA ALA A 13 -29.112 -4.176 6.745 1.00 0.00 C ATOM 180 C ALA A 13 -29.040 -3.998 8.257 1.00 0.00 C ATOM 181 O ALA A 13 -28.426 -3.054 8.752 1.00 0.00 O ATOM 182 CB ALA A 13 -28.228 -3.153 6.048 1.00 0.00 C ATOM 0 H ALA A 13 -30.790 -3.111 6.076 1.00 0.00 H new ATOM 0 HA ALA A 13 -28.750 -5.176 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.205 -3.247 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -28.247 -3.329 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -28.598 -2.149 6.258 1.00 0.00 H new ATOM 188 N ARG A 14 -29.675 -4.912 8.985 1.00 0.00 N ATOM 189 CA ARG A 14 -29.683 -4.856 10.443 1.00 0.00 C ATOM 190 C ARG A 14 -28.725 -5.887 11.032 1.00 0.00 C ATOM 191 O ARG A 14 -29.132 -6.760 11.798 1.00 0.00 O ATOM 192 CB ARG A 14 -31.097 -5.095 10.974 1.00 0.00 C ATOM 193 CG ARG A 14 -31.348 -4.469 12.337 1.00 0.00 C ATOM 194 CD ARG A 14 -32.160 -3.189 12.221 1.00 0.00 C ATOM 195 NE ARG A 14 -33.594 -3.452 12.178 1.00 0.00 N ATOM 196 CZ ARG A 14 -34.511 -2.510 11.983 1.00 0.00 C ATOM 197 NH1 ARG A 14 -34.143 -1.247 11.814 1.00 0.00 N ATOM 198 NH2 ARG A 14 -35.798 -2.829 11.957 1.00 0.00 N ATOM 0 H ARG A 14 -30.190 -5.699 8.590 1.00 0.00 H new ATOM 0 HA ARG A 14 -29.351 -3.863 10.746 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -31.817 -4.694 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -31.276 -6.168 11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -31.876 -5.179 12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -30.395 -4.254 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -31.936 -2.540 13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -31.863 -2.652 11.320 1.00 0.00 H new ATOM 0 HE ARG A 14 -33.911 -4.413 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -33.154 -0.997 11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -34.849 -0.526 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -36.086 -3.799 12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -36.500 -2.104 11.807 1.00 0.00 H new ATOM 212 N ALA A 15 -27.452 -5.778 10.669 1.00 0.00 N ATOM 213 CA ALA A 15 -26.435 -6.700 11.162 1.00 0.00 C ATOM 214 C ALA A 15 -25.034 -6.177 10.867 1.00 0.00 C ATOM 215 O ALA A 15 -24.318 -6.729 10.032 1.00 0.00 O ATOM 216 CB ALA A 15 -26.628 -8.077 10.546 1.00 0.00 C ATOM 0 H ALA A 15 -27.099 -5.061 10.035 1.00 0.00 H new ATOM 0 HA ALA A 15 -26.545 -6.781 12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -25.862 -8.755 10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -27.614 -8.460 10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -26.547 -8.005 9.461 1.00 0.00 H new ATOM 222 N ASP A 16 -24.650 -5.108 11.557 1.00 0.00 N ATOM 223 CA ASP A 16 -23.334 -4.509 11.367 1.00 0.00 C ATOM 224 C ASP A 16 -23.184 -3.959 9.953 1.00 0.00 C ATOM 225 O ASP A 16 -23.119 -4.717 8.985 1.00 0.00 O ATOM 226 CB ASP A 16 -22.238 -5.540 11.644 1.00 0.00 C ATOM 227 CG ASP A 16 -21.115 -4.978 12.494 1.00 0.00 C ATOM 228 OD1 ASP A 16 -21.312 -3.906 13.103 1.00 0.00 O ATOM 229 OD2 ASP A 16 -20.040 -5.610 12.550 1.00 0.00 O ATOM 0 H ASP A 16 -25.231 -4.639 12.252 1.00 0.00 H new ATOM 0 HA ASP A 16 -23.234 -3.682 12.071 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.674 -6.403 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.830 -5.896 10.698 1.00 0.00 H new ATOM 234 N GLU A 17 -23.131 -2.636 9.840 1.00 0.00 N ATOM 235 CA GLU A 17 -22.990 -1.985 8.543 1.00 0.00 C ATOM 236 C GLU A 17 -22.438 -0.572 8.698 1.00 0.00 C ATOM 237 O GLU A 17 -22.987 0.241 9.442 1.00 0.00 O ATOM 238 CB GLU A 17 -24.340 -1.942 7.822 1.00 0.00 C ATOM 239 CG GLU A 17 -24.226 -2.077 6.313 1.00 0.00 C ATOM 240 CD GLU A 17 -24.588 -3.465 5.822 1.00 0.00 C ATOM 241 OE1 GLU A 17 -24.086 -4.449 6.405 1.00 0.00 O ATOM 242 OE2 GLU A 17 -25.371 -3.568 4.855 1.00 0.00 O ATOM 0 H GLU A 17 -23.184 -1.994 10.631 1.00 0.00 H new ATOM 0 HA GLU A 17 -22.285 -2.566 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -24.972 -2.744 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -24.839 -1.002 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -24.879 -1.346 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.207 -1.842 6.007 1.00 0.00 H new ATOM 249 N THR A 18 -21.350 -0.287 7.991 1.00 0.00 N ATOM 250 CA THR A 18 -20.724 1.029 8.048 1.00 0.00 C ATOM 251 C THR A 18 -20.190 1.318 9.448 1.00 0.00 C ATOM 252 O THR A 18 -20.558 0.649 10.413 1.00 0.00 O ATOM 253 CB THR A 18 -21.723 2.112 7.639 1.00 0.00 C ATOM 254 OG1 THR A 18 -22.867 1.532 7.035 1.00 0.00 O ATOM 255 CG2 THR A 18 -21.151 3.121 6.667 1.00 0.00 C ATOM 0 H THR A 18 -20.883 -0.950 7.372 1.00 0.00 H new ATOM 0 HA THR A 18 -19.887 1.034 7.350 1.00 0.00 H new ATOM 0 HB THR A 18 -21.982 2.631 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 18 -23.497 2.239 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.913 3.860 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 18 -20.296 3.620 7.122 1.00 0.00 H new ATOM 0 HG23 THR A 18 -20.832 2.610 5.758 1.00 0.00 H new ATOM 263 N ILE A 19 -19.324 2.321 9.550 1.00 0.00 N ATOM 264 CA ILE A 19 -18.742 2.700 10.832 1.00 0.00 C ATOM 265 C ILE A 19 -17.988 1.532 11.459 1.00 0.00 C ATOM 266 O ILE A 19 -18.459 0.922 12.419 1.00 0.00 O ATOM 267 CB ILE A 19 -19.819 3.191 11.815 1.00 0.00 C ATOM 268 CG1 ILE A 19 -20.657 4.300 11.174 1.00 0.00 C ATOM 269 CG2 ILE A 19 -19.177 3.682 13.103 1.00 0.00 C ATOM 270 CD1 ILE A 19 -21.978 4.540 11.870 1.00 0.00 C ATOM 0 H ILE A 19 -19.010 2.886 8.761 1.00 0.00 H new ATOM 0 HA ILE A 19 -18.045 3.515 10.635 1.00 0.00 H new ATOM 0 HB ILE A 19 -20.477 2.357 12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -20.082 5.226 11.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -20.846 4.044 10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -19.952 4.026 13.788 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -18.620 2.867 13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -18.498 4.505 12.880 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -22.517 5.339 11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.573 3.627 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.797 4.827 12.906 1.00 0.00 H new ATOM 282 N ARG A 20 -16.817 1.227 10.911 1.00 0.00 N ATOM 283 CA ARG A 20 -15.998 0.133 11.418 1.00 0.00 C ATOM 284 C ARG A 20 -14.630 0.117 10.744 1.00 0.00 C ATOM 285 O ARG A 20 -13.612 -0.138 11.388 1.00 0.00 O ATOM 286 CB ARG A 20 -16.704 -1.206 11.192 1.00 0.00 C ATOM 287 CG ARG A 20 -17.206 -1.853 12.473 1.00 0.00 C ATOM 288 CD ARG A 20 -16.068 -2.472 13.269 1.00 0.00 C ATOM 289 NE ARG A 20 -16.404 -3.805 13.759 1.00 0.00 N ATOM 290 CZ ARG A 20 -16.627 -4.847 12.963 1.00 0.00 C ATOM 291 NH1 ARG A 20 -16.547 -4.708 11.647 1.00 0.00 N ATOM 292 NH2 ARG A 20 -16.928 -6.028 13.484 1.00 0.00 N ATOM 0 H ARG A 20 -16.414 1.722 10.116 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.854 0.287 12.487 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.546 -1.054 10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.017 -1.890 10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.714 -1.107 13.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.941 -2.621 12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.178 -2.530 12.643 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.823 -1.827 14.113 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.472 -3.945 14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.314 -3.801 11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.718 -5.508 11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.989 -6.138 14.496 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.099 -6.826 12.873 1.00 0.00 H new ATOM 306 N GLY A 21 -14.614 0.390 9.443 1.00 0.00 N ATOM 307 CA GLY A 21 -13.366 0.402 8.702 1.00 0.00 C ATOM 308 C GLY A 21 -13.512 -0.180 7.311 1.00 0.00 C ATOM 309 O GLY A 21 -14.450 -0.930 7.040 1.00 0.00 O ATOM 0 H GLY A 21 -15.443 0.603 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.001 1.426 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.615 -0.164 9.252 1.00 0.00 H new ATOM 313 N TYR A 22 -12.585 0.168 6.424 1.00 0.00 N ATOM 314 CA TYR A 22 -12.620 -0.324 5.052 1.00 0.00 C ATOM 315 C TYR A 22 -11.212 -0.438 4.475 1.00 0.00 C ATOM 316 O TYR A 22 -10.710 0.496 3.849 1.00 0.00 O ATOM 317 CB TYR A 22 -13.466 0.604 4.178 1.00 0.00 C ATOM 318 CG TYR A 22 -13.665 0.095 2.769 1.00 0.00 C ATOM 319 CD1 TYR A 22 -13.893 -1.254 2.522 1.00 0.00 C ATOM 320 CD2 TYR A 22 -13.624 0.962 1.684 1.00 0.00 C ATOM 321 CE1 TYR A 22 -14.077 -1.722 1.235 1.00 0.00 C ATOM 322 CE2 TYR A 22 -13.806 0.501 0.395 1.00 0.00 C ATOM 323 CZ TYR A 22 -14.033 -0.842 0.175 1.00 0.00 C ATOM 324 OH TYR A 22 -14.214 -1.304 -1.107 1.00 0.00 O ATOM 0 H TYR A 22 -11.802 0.788 6.631 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.070 -1.317 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -14.441 0.742 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -12.991 1.584 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -13.927 -1.947 3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.447 2.014 1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.255 -2.773 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.771 1.189 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.154 -0.555 -1.736 1.00 0.00 H new ATOM 334 N MET A 23 -10.582 -1.588 4.687 1.00 0.00 N ATOM 335 CA MET A 23 -9.236 -1.828 4.180 1.00 0.00 C ATOM 336 C MET A 23 -9.212 -1.768 2.656 1.00 0.00 C ATOM 337 O MET A 23 -10.212 -2.052 1.997 1.00 0.00 O ATOM 338 CB MET A 23 -8.725 -3.191 4.656 1.00 0.00 C ATOM 339 CG MET A 23 -9.698 -4.329 4.394 1.00 0.00 C ATOM 340 SD MET A 23 -8.867 -5.907 4.129 1.00 0.00 S ATOM 341 CE MET A 23 -8.315 -5.719 2.437 1.00 0.00 C ATOM 0 H MET A 23 -10.982 -2.369 5.207 1.00 0.00 H new ATOM 0 HA MET A 23 -8.583 -1.047 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.780 -3.410 4.159 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.518 -3.139 5.725 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.381 -4.420 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.303 -4.090 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.542 -6.457 2.222 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.157 -5.868 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.909 -4.717 2.296 1.00 0.00 H new ATOM 351 N GLY A 24 -8.065 -1.393 2.106 1.00 0.00 N ATOM 352 CA GLY A 24 -7.927 -1.297 0.665 1.00 0.00 C ATOM 353 C GLY A 24 -6.627 -0.640 0.258 1.00 0.00 C ATOM 354 O GLY A 24 -6.604 0.212 -0.630 1.00 0.00 O ATOM 0 H GLY A 24 -7.225 -1.153 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.980 -2.295 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.763 -0.727 0.259 1.00 0.00 H new ATOM 358 N THR A 25 -5.536 -1.055 0.891 1.00 0.00 N ATOM 359 CA THR A 25 -4.233 -0.476 0.616 1.00 0.00 C ATOM 360 C THR A 25 -3.478 -1.256 -0.454 1.00 0.00 C ATOM 361 O THR A 25 -3.359 -2.482 -0.385 1.00 0.00 O ATOM 362 CB THR A 25 -3.401 -0.444 1.888 1.00 0.00 C ATOM 363 OG1 THR A 25 -2.052 -0.201 1.581 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.466 -1.736 2.676 1.00 0.00 C ATOM 0 H THR A 25 -5.531 -1.791 1.598 1.00 0.00 H new ATOM 0 HA THR A 25 -4.398 0.536 0.247 1.00 0.00 H new ATOM 0 HB THR A 25 -3.823 0.355 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.527 -1.012 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.851 -1.647 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.498 -1.936 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.095 -2.556 2.061 1.00 0.00 H new ATOM 372 N SER A 26 -2.920 -0.521 -1.410 1.00 0.00 N ATOM 373 CA SER A 26 -2.165 -1.116 -2.504 1.00 0.00 C ATOM 374 C SER A 26 -0.705 -0.701 -2.456 1.00 0.00 C ATOM 375 O SER A 26 -0.397 0.468 -2.652 1.00 0.00 O ATOM 376 CB SER A 26 -2.747 -0.653 -3.832 1.00 0.00 C ATOM 377 OG SER A 26 -4.053 -1.165 -4.031 1.00 0.00 O ATOM 0 H SER A 26 -2.978 0.497 -1.448 1.00 0.00 H new ATOM 0 HA SER A 26 -2.232 -2.199 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.774 0.436 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.100 -0.976 -4.647 1.00 0.00 H new ATOM 0 HG SER A 26 -4.401 -0.849 -4.891 1.00 0.00 H new ATOM 383 N ALA A 27 0.193 -1.677 -2.402 1.00 0.00 N ATOM 384 CA ALA A 27 1.622 -1.383 -2.376 1.00 0.00 C ATOM 385 C ALA A 27 2.326 -2.065 -3.531 1.00 0.00 C ATOM 386 O ALA A 27 1.908 -3.120 -3.997 1.00 0.00 O ATOM 387 CB ALA A 27 2.253 -1.808 -1.051 1.00 0.00 C ATOM 0 H ALA A 27 -0.039 -2.670 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 27 1.740 -0.304 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.318 -1.575 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.774 -1.272 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.118 -2.880 -0.911 1.00 0.00 H new ATOM 393 N THR A 28 3.357 -1.410 -4.026 1.00 0.00 N ATOM 394 CA THR A 28 4.114 -1.903 -5.155 1.00 0.00 C ATOM 395 C THR A 28 5.568 -2.093 -4.754 1.00 0.00 C ATOM 396 O THR A 28 6.147 -1.248 -4.076 1.00 0.00 O ATOM 397 CB THR A 28 3.984 -0.919 -6.321 1.00 0.00 C ATOM 398 OG1 THR A 28 2.705 -1.028 -6.921 1.00 0.00 O ATOM 399 CG2 THR A 28 5.015 -1.111 -7.413 1.00 0.00 C ATOM 0 H THR A 28 3.692 -0.521 -3.655 1.00 0.00 H new ATOM 0 HA THR A 28 3.722 -2.869 -5.474 1.00 0.00 H new ATOM 0 HB THR A 28 4.143 0.063 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.637 -0.392 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.853 -0.375 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.014 -0.983 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.921 -2.114 -7.829 1.00 0.00 H new ATOM 407 N ILE A 29 6.132 -3.228 -5.128 1.00 0.00 N ATOM 408 CA ILE A 29 7.499 -3.548 -4.770 1.00 0.00 C ATOM 409 C ILE A 29 8.437 -3.384 -5.952 1.00 0.00 C ATOM 410 O ILE A 29 8.238 -3.980 -7.011 1.00 0.00 O ATOM 411 CB ILE A 29 7.608 -4.987 -4.253 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.471 -5.293 -3.273 1.00 0.00 C ATOM 413 CG2 ILE A 29 8.956 -5.222 -3.601 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.265 -4.223 -2.223 1.00 0.00 C ATOM 0 H ILE A 29 5.661 -3.944 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 29 7.790 -2.851 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 29 7.520 -5.664 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.545 -5.422 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.677 -6.241 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.012 -6.249 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.748 -5.049 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.079 -4.537 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.444 -4.511 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.176 -4.109 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.027 -3.277 -2.709 1.00 0.00 H new ATOM 426 N THR A 30 9.473 -2.589 -5.750 1.00 0.00 N ATOM 427 CA THR A 30 10.471 -2.364 -6.780 1.00 0.00 C ATOM 428 C THR A 30 11.870 -2.576 -6.218 1.00 0.00 C ATOM 429 O THR A 30 12.434 -1.691 -5.573 1.00 0.00 O ATOM 430 CB THR A 30 10.336 -0.951 -7.346 1.00 0.00 C ATOM 431 OG1 THR A 30 11.541 -0.543 -7.972 1.00 0.00 O ATOM 432 CG2 THR A 30 9.985 0.084 -6.300 1.00 0.00 C ATOM 0 H THR A 30 9.645 -2.087 -4.879 1.00 0.00 H new ATOM 0 HA THR A 30 10.308 -3.081 -7.585 1.00 0.00 H new ATOM 0 HB THR A 30 9.518 -1.006 -8.064 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.434 0.363 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.905 1.064 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.033 -0.175 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.764 0.110 -5.538 1.00 0.00 H new ATOM 440 N SER A 31 12.423 -3.756 -6.470 1.00 0.00 N ATOM 441 CA SER A 31 13.749 -4.096 -5.990 1.00 0.00 C ATOM 442 C SER A 31 14.690 -4.369 -7.157 1.00 0.00 C ATOM 443 O SER A 31 14.293 -4.964 -8.159 1.00 0.00 O ATOM 444 CB SER A 31 13.683 -5.318 -5.074 1.00 0.00 C ATOM 445 OG SER A 31 13.157 -6.442 -5.760 1.00 0.00 O ATOM 0 H SER A 31 11.968 -4.494 -7.007 1.00 0.00 H new ATOM 0 HA SER A 31 14.136 -3.249 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.680 -5.550 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.062 -5.093 -4.207 1.00 0.00 H new ATOM 0 HG SER A 31 13.127 -7.211 -5.153 1.00 0.00 H new ATOM 451 N GLY A 32 15.944 -3.947 -7.019 1.00 0.00 N ATOM 452 CA GLY A 32 16.922 -4.160 -8.074 1.00 0.00 C ATOM 453 C GLY A 32 16.852 -5.554 -8.670 1.00 0.00 C ATOM 454 O GLY A 32 17.130 -5.748 -9.853 1.00 0.00 O ATOM 0 H GLY A 32 16.301 -3.461 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.764 -3.425 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.922 -3.990 -7.675 1.00 0.00 H new ATOM 458 N GLU A 33 16.446 -6.521 -7.852 1.00 0.00 N ATOM 459 CA GLU A 33 16.338 -7.900 -8.290 1.00 0.00 C ATOM 460 C GLU A 33 15.149 -8.102 -9.221 1.00 0.00 C ATOM 461 O GLU A 33 15.312 -8.235 -10.435 1.00 0.00 O ATOM 462 CB GLU A 33 16.211 -8.809 -7.084 1.00 0.00 C ATOM 463 CG GLU A 33 17.279 -9.879 -7.028 1.00 0.00 C ATOM 464 CD GLU A 33 17.306 -10.614 -5.702 1.00 0.00 C ATOM 465 OE1 GLU A 33 17.695 -9.996 -4.689 1.00 0.00 O ATOM 466 OE2 GLU A 33 16.939 -11.808 -5.677 1.00 0.00 O ATOM 0 H GLU A 33 16.186 -6.369 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 33 17.241 -8.149 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.261 -8.207 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.230 -9.284 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 33 17.111 -10.596 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.253 -9.423 -7.205 1.00 0.00 H new ATOM 473 N GLN A 34 13.955 -8.134 -8.642 1.00 0.00 N ATOM 474 CA GLN A 34 12.737 -8.346 -9.414 1.00 0.00 C ATOM 475 C GLN A 34 11.709 -7.249 -9.152 1.00 0.00 C ATOM 476 O GLN A 34 10.627 -7.513 -8.629 1.00 0.00 O ATOM 477 CB GLN A 34 12.133 -9.711 -9.074 1.00 0.00 C ATOM 478 CG GLN A 34 10.930 -10.071 -9.929 1.00 0.00 C ATOM 479 CD GLN A 34 10.154 -11.251 -9.378 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.330 -11.641 -8.223 1.00 0.00 O ATOM 481 NE2 GLN A 34 9.289 -11.829 -10.203 1.00 0.00 N ATOM 0 H GLN A 34 13.804 -8.016 -7.640 1.00 0.00 H new ATOM 0 HA GLN A 34 13.003 -8.315 -10.471 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.898 -10.478 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.838 -9.718 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.269 -9.208 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.264 -10.301 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.174 -11.474 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.739 -12.628 -9.887 1.00 0.00 H new ATOM 490 N SER A 35 12.045 -6.022 -9.538 1.00 0.00 N ATOM 491 CA SER A 35 11.136 -4.894 -9.366 1.00 0.00 C ATOM 492 C SER A 35 10.045 -4.915 -10.430 1.00 0.00 C ATOM 493 O SER A 35 10.331 -4.998 -11.624 1.00 0.00 O ATOM 494 CB SER A 35 11.906 -3.572 -9.446 1.00 0.00 C ATOM 495 OG SER A 35 12.456 -3.380 -10.737 1.00 0.00 O ATOM 0 H SER A 35 12.937 -5.784 -9.971 1.00 0.00 H new ATOM 0 HA SER A 35 10.672 -4.980 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.239 -2.744 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.703 -3.566 -8.703 1.00 0.00 H new ATOM 0 HG SER A 35 12.005 -3.970 -11.376 1.00 0.00 H new ATOM 501 N GLY A 36 8.794 -4.841 -9.991 1.00 0.00 N ATOM 502 CA GLY A 36 7.682 -4.856 -10.922 1.00 0.00 C ATOM 503 C GLY A 36 6.557 -5.762 -10.463 1.00 0.00 C ATOM 504 O GLY A 36 6.061 -6.585 -11.231 1.00 0.00 O ATOM 0 H GLY A 36 8.530 -4.771 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.301 -3.842 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.034 -5.185 -11.900 1.00 0.00 H new ATOM 508 N ALA A 37 6.156 -5.610 -9.205 1.00 0.00 N ATOM 509 CA ALA A 37 5.084 -6.422 -8.644 1.00 0.00 C ATOM 510 C ALA A 37 4.273 -5.632 -7.623 1.00 0.00 C ATOM 511 O ALA A 37 4.831 -4.988 -6.736 1.00 0.00 O ATOM 512 CB ALA A 37 5.653 -7.682 -8.009 1.00 0.00 C ATOM 0 H ALA A 37 6.557 -4.933 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 37 4.416 -6.708 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.841 -8.279 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.181 -8.263 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.345 -7.408 -7.213 1.00 0.00 H new ATOM 518 N VAL A 38 2.952 -5.699 -7.749 1.00 0.00 N ATOM 519 CA VAL A 38 2.060 -4.989 -6.843 1.00 0.00 C ATOM 520 C VAL A 38 1.508 -5.923 -5.769 1.00 0.00 C ATOM 521 O VAL A 38 0.900 -6.948 -6.074 1.00 0.00 O ATOM 522 CB VAL A 38 0.885 -4.345 -7.600 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.020 -5.414 -8.253 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.059 -3.475 -6.666 1.00 0.00 C ATOM 0 H VAL A 38 2.476 -6.239 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 38 2.651 -4.204 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 38 1.289 -3.708 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.806 -4.940 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.622 -5.989 -8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.376 -6.080 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.767 -3.029 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.337 -4.086 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.687 -2.686 -6.253 1.00 0.00 H new ATOM 534 N ILE A 39 1.732 -5.558 -4.511 1.00 0.00 N ATOM 535 CA ILE A 39 1.268 -6.354 -3.383 1.00 0.00 C ATOM 536 C ILE A 39 0.304 -5.566 -2.507 1.00 0.00 C ATOM 537 O ILE A 39 0.320 -4.335 -2.500 1.00 0.00 O ATOM 538 CB ILE A 39 2.442 -6.822 -2.507 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.186 -5.623 -1.924 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.387 -7.706 -3.306 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.792 -5.321 -0.498 1.00 0.00 C ATOM 0 H ILE A 39 2.235 -4.711 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 39 0.757 -7.219 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 39 2.042 -7.411 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.259 -5.812 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.992 -4.746 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.211 -8.027 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.847 -8.581 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.781 -7.145 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.355 -4.459 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.725 -5.102 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.011 -6.184 0.131 1.00 0.00 H new ATOM 553 N ARG A 40 -0.515 -6.284 -1.746 1.00 0.00 N ATOM 554 CA ARG A 40 -1.446 -5.648 -0.825 1.00 0.00 C ATOM 555 C ARG A 40 -0.886 -5.681 0.590 1.00 0.00 C ATOM 556 O ARG A 40 -0.140 -6.590 0.955 1.00 0.00 O ATOM 557 CB ARG A 40 -2.814 -6.332 -0.859 1.00 0.00 C ATOM 558 CG ARG A 40 -3.767 -5.837 0.224 1.00 0.00 C ATOM 559 CD ARG A 40 -5.214 -5.897 -0.237 1.00 0.00 C ATOM 560 NE ARG A 40 -5.649 -7.265 -0.501 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.924 -7.629 -0.584 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.885 -6.730 -0.424 1.00 0.00 N ATOM 563 NH2 ARG A 40 -7.240 -8.894 -0.828 1.00 0.00 N ATOM 0 H ARG A 40 -0.552 -7.303 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.575 -4.612 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.269 -6.168 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.677 -7.408 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.645 -6.443 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.512 -4.812 0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.855 -5.454 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.331 -5.299 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.934 -7.981 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.646 -5.756 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.863 -7.012 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.504 -9.589 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.219 -9.172 -0.891 1.00 0.00 H new ATOM 577 N GLY A 41 -1.243 -4.680 1.376 1.00 0.00 N ATOM 578 CA GLY A 41 -0.755 -4.599 2.737 1.00 0.00 C ATOM 579 C GLY A 41 -0.548 -3.168 3.162 1.00 0.00 C ATOM 580 O GLY A 41 -0.281 -2.309 2.327 1.00 0.00 O ATOM 0 H GLY A 41 -1.863 -3.920 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.465 -5.081 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.185 -5.145 2.821 1.00 0.00 H new ATOM 584 N VAL A 42 -0.697 -2.890 4.449 1.00 0.00 N ATOM 585 CA VAL A 42 -0.582 -1.521 4.922 1.00 0.00 C ATOM 586 C VAL A 42 0.530 -1.352 5.958 1.00 0.00 C ATOM 587 O VAL A 42 1.197 -2.309 6.354 1.00 0.00 O ATOM 588 CB VAL A 42 -1.959 -1.003 5.452 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.948 -0.636 6.938 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.420 0.180 4.615 1.00 0.00 C ATOM 0 H VAL A 42 -0.894 -3.582 5.172 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.295 -0.904 4.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.663 -1.829 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.937 -0.285 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.683 -1.514 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.216 0.153 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.380 0.538 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.684 0.981 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.527 -0.130 3.575 1.00 0.00 H new ATOM 600 N PHE A 43 0.693 -0.109 6.384 1.00 0.00 N ATOM 601 CA PHE A 43 1.696 0.271 7.361 1.00 0.00 C ATOM 602 C PHE A 43 1.116 0.254 8.772 1.00 0.00 C ATOM 603 O PHE A 43 0.006 0.732 9.001 1.00 0.00 O ATOM 604 CB PHE A 43 2.184 1.671 7.008 1.00 0.00 C ATOM 605 CG PHE A 43 3.120 2.291 8.006 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.629 2.882 9.159 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.481 2.343 7.758 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.484 3.478 10.064 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.341 2.938 8.660 1.00 0.00 C ATOM 610 CZ PHE A 43 4.841 3.512 9.812 1.00 0.00 C ATOM 0 H PHE A 43 0.125 0.672 6.056 1.00 0.00 H new ATOM 0 HA PHE A 43 2.523 -0.439 7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.684 1.631 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.318 2.322 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.566 2.876 9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.875 1.913 6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.092 3.918 10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.403 2.954 8.465 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.510 3.987 10.514 1.00 0.00 H new ATOM 620 N ASP A 44 1.870 -0.301 9.712 1.00 0.00 N ATOM 621 CA ASP A 44 1.424 -0.381 11.097 1.00 0.00 C ATOM 622 C ASP A 44 2.399 0.332 12.028 1.00 0.00 C ATOM 623 O ASP A 44 3.607 0.102 11.972 1.00 0.00 O ATOM 624 CB ASP A 44 1.270 -1.842 11.521 1.00 0.00 C ATOM 625 CG ASP A 44 0.032 -2.073 12.363 1.00 0.00 C ATOM 626 OD1 ASP A 44 -0.062 -1.477 13.457 1.00 0.00 O ATOM 627 OD2 ASP A 44 -0.846 -2.849 11.929 1.00 0.00 O ATOM 0 H ASP A 44 2.792 -0.702 9.541 1.00 0.00 H new ATOM 0 HA ASP A 44 0.456 0.115 11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.224 -2.472 10.633 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.151 -2.149 12.084 1.00 0.00 H new ATOM 632 N ASP A 45 1.866 1.197 12.884 1.00 0.00 N ATOM 633 CA ASP A 45 2.689 1.945 13.826 1.00 0.00 C ATOM 634 C ASP A 45 2.341 1.574 15.268 1.00 0.00 C ATOM 635 O ASP A 45 1.294 1.971 15.780 1.00 0.00 O ATOM 636 CB ASP A 45 2.494 3.448 13.617 1.00 0.00 C ATOM 637 CG ASP A 45 3.785 4.226 13.777 1.00 0.00 C ATOM 638 OD1 ASP A 45 4.485 4.014 14.790 1.00 0.00 O ATOM 639 OD2 ASP A 45 4.097 5.047 12.890 1.00 0.00 O ATOM 0 H ASP A 45 0.868 1.397 12.945 1.00 0.00 H new ATOM 0 HA ASP A 45 3.733 1.688 13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.088 3.624 12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.759 3.819 14.331 1.00 0.00 H new ATOM 644 N PRO A 46 3.220 0.818 15.950 1.00 0.00 N ATOM 645 CA PRO A 46 2.989 0.401 17.339 1.00 0.00 C ATOM 646 C PRO A 46 2.845 1.590 18.283 1.00 0.00 C ATOM 647 O PRO A 46 2.102 1.531 19.262 1.00 0.00 O ATOM 648 CB PRO A 46 4.242 -0.409 17.691 1.00 0.00 C ATOM 649 CG PRO A 46 4.823 -0.814 16.380 1.00 0.00 C ATOM 650 CD PRO A 46 4.493 0.295 15.425 1.00 0.00 C ATOM 0 HA PRO A 46 2.062 -0.163 17.441 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.948 0.188 18.268 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.991 -1.280 18.297 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.901 -0.955 16.457 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.401 -1.760 16.041 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.269 1.060 15.412 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.388 -0.070 14.403 1.00 0.00 H new ATOM 658 N GLU A 47 3.565 2.667 17.985 1.00 0.00 N ATOM 659 CA GLU A 47 3.526 3.865 18.813 1.00 0.00 C ATOM 660 C GLU A 47 2.621 4.929 18.200 1.00 0.00 C ATOM 661 O GLU A 47 1.762 5.493 18.879 1.00 0.00 O ATOM 662 CB GLU A 47 4.936 4.424 18.994 1.00 0.00 C ATOM 663 CG GLU A 47 5.582 4.033 20.313 1.00 0.00 C ATOM 664 CD GLU A 47 5.585 5.166 21.320 1.00 0.00 C ATOM 665 OE1 GLU A 47 4.507 5.469 21.874 1.00 0.00 O ATOM 666 OE2 GLU A 47 6.663 5.750 21.554 1.00 0.00 O ATOM 0 H GLU A 47 4.182 2.734 17.176 1.00 0.00 H new ATOM 0 HA GLU A 47 3.119 3.590 19.786 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.564 4.075 18.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.898 5.511 18.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.051 3.179 20.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.607 3.712 20.130 1.00 0.00 H new ATOM 673 N ASN A 48 2.820 5.201 16.914 1.00 0.00 N ATOM 674 CA ASN A 48 2.025 6.204 16.211 1.00 0.00 C ATOM 675 C ASN A 48 2.404 7.610 16.664 1.00 0.00 C ATOM 676 O ASN A 48 2.233 7.965 17.830 1.00 0.00 O ATOM 677 CB ASN A 48 0.532 5.963 16.446 1.00 0.00 C ATOM 678 CG ASN A 48 -0.239 5.800 15.151 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.040 4.877 15.003 1.00 0.00 O ATOM 680 ND2 ASN A 48 0.001 6.698 14.202 1.00 0.00 N ATOM 0 H ASN A 48 3.525 4.741 16.337 1.00 0.00 H new ATOM 0 HA ASN A 48 2.234 6.115 15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.403 5.070 17.057 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.117 6.798 17.010 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.487 6.638 13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.673 7.447 14.367 1.00 0.00 H new ATOM 687 N ILE A 49 2.923 8.406 15.733 1.00 0.00 N ATOM 688 CA ILE A 49 3.333 9.773 16.038 1.00 0.00 C ATOM 689 C ILE A 49 2.141 10.724 16.012 1.00 0.00 C ATOM 690 O ILE A 49 1.203 10.542 15.235 1.00 0.00 O ATOM 691 CB ILE A 49 4.398 10.276 15.046 1.00 0.00 C ATOM 692 CG1 ILE A 49 4.905 11.658 15.466 1.00 0.00 C ATOM 693 CG2 ILE A 49 3.832 10.321 13.636 1.00 0.00 C ATOM 694 CD1 ILE A 49 6.245 12.021 14.864 1.00 0.00 C ATOM 0 H ILE A 49 3.069 8.128 14.763 1.00 0.00 H new ATOM 0 HA ILE A 49 3.760 9.757 17.041 1.00 0.00 H new ATOM 0 HB ILE A 49 5.238 9.582 15.056 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.170 12.409 15.175 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.983 11.692 16.553 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.598 10.679 12.948 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.515 9.321 13.339 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.976 10.996 13.609 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.541 13.013 15.206 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.993 11.292 15.175 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.168 12.020 13.777 1.00 0.00 H new ATOM 706 N SER A 50 2.185 11.742 16.866 1.00 0.00 N ATOM 707 CA SER A 50 1.110 12.725 16.943 1.00 0.00 C ATOM 708 C SER A 50 -0.216 12.056 17.288 1.00 0.00 C ATOM 709 O SER A 50 -1.282 12.520 16.881 1.00 0.00 O ATOM 710 CB SER A 50 0.985 13.482 15.620 1.00 0.00 C ATOM 711 OG SER A 50 0.061 14.551 15.729 1.00 0.00 O ATOM 0 H SER A 50 2.954 11.908 17.515 1.00 0.00 H new ATOM 0 HA SER A 50 1.356 13.432 17.735 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.960 13.869 15.325 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.663 12.798 14.835 1.00 0.00 H new ATOM 0 HG SER A 50 -0.798 14.209 16.054 1.00 0.00 H new ATOM 717 N TYR A 51 -0.143 10.965 18.043 1.00 0.00 N ATOM 718 CA TYR A 51 -1.338 10.233 18.447 1.00 0.00 C ATOM 719 C TYR A 51 -2.283 11.131 19.239 1.00 0.00 C ATOM 720 O TYR A 51 -3.503 11.019 19.124 1.00 0.00 O ATOM 721 CB TYR A 51 -0.951 9.013 19.286 1.00 0.00 C ATOM 722 CG TYR A 51 -2.132 8.174 19.718 1.00 0.00 C ATOM 723 CD1 TYR A 51 -2.842 7.414 18.797 1.00 0.00 C ATOM 724 CD2 TYR A 51 -2.532 8.137 21.048 1.00 0.00 C ATOM 725 CE1 TYR A 51 -3.920 6.644 19.189 1.00 0.00 C ATOM 726 CE2 TYR A 51 -3.610 7.370 21.447 1.00 0.00 C ATOM 727 CZ TYR A 51 -4.300 6.625 20.514 1.00 0.00 C ATOM 728 OH TYR A 51 -5.372 5.859 20.907 1.00 0.00 O ATOM 0 H TYR A 51 0.731 10.568 18.388 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.854 9.899 17.547 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.265 8.391 18.711 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.411 9.348 20.172 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.547 7.425 17.758 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.992 8.717 21.782 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.463 6.060 18.461 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.911 7.354 22.484 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.507 5.956 21.873 1.00 0.00 H new ATOM 738 N ALA A 52 -1.709 12.021 20.041 1.00 0.00 N ATOM 739 CA ALA A 52 -2.498 12.940 20.853 1.00 0.00 C ATOM 740 C ALA A 52 -1.629 14.063 21.410 1.00 0.00 C ATOM 741 O ALA A 52 -1.181 14.004 22.555 1.00 0.00 O ATOM 742 CB ALA A 52 -3.186 12.191 21.983 1.00 0.00 C ATOM 0 H ALA A 52 -0.700 12.126 20.146 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.260 13.387 20.215 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.771 12.891 22.580 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.846 11.430 21.566 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.435 11.715 22.614 1.00 0.00 H new ATOM 748 N GLY A 53 -1.392 15.083 20.592 1.00 0.00 N ATOM 749 CA GLY A 53 -0.576 16.204 21.019 1.00 0.00 C ATOM 750 C GLY A 53 0.851 15.797 21.331 1.00 0.00 C ATOM 751 O GLY A 53 1.556 16.491 22.064 1.00 0.00 O ATOM 0 H GLY A 53 -1.751 15.153 19.640 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.571 16.964 20.238 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.023 16.658 21.903 1.00 0.00 H new ATOM 755 N GLN A 54 1.279 14.671 20.769 1.00 0.00 N ATOM 756 CA GLN A 54 2.632 14.174 20.990 1.00 0.00 C ATOM 757 C GLN A 54 3.663 15.114 20.376 1.00 0.00 C ATOM 758 O GLN A 54 4.310 15.888 21.083 1.00 0.00 O ATOM 759 CB GLN A 54 2.785 12.772 20.396 1.00 0.00 C ATOM 760 CG GLN A 54 2.863 11.673 21.443 1.00 0.00 C ATOM 761 CD GLN A 54 3.085 10.302 20.835 1.00 0.00 C ATOM 762 OE1 GLN A 54 2.149 9.664 20.355 1.00 0.00 O ATOM 763 NE2 GLN A 54 4.330 9.842 20.853 1.00 0.00 N ATOM 0 H GLN A 54 0.709 14.086 20.158 1.00 0.00 H new ATOM 0 HA GLN A 54 2.805 14.127 22.065 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.942 12.573 19.734 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.686 12.743 19.783 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.674 11.894 22.137 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.941 11.664 22.024 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.076 10.405 21.261 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.541 8.925 20.458 1.00 0.00 H new ATOM 772 N GLY A 55 3.812 15.041 19.058 1.00 0.00 N ATOM 773 CA GLY A 55 4.766 15.891 18.371 1.00 0.00 C ATOM 774 C GLY A 55 6.177 15.341 18.426 1.00 0.00 C ATOM 775 O GLY A 55 6.820 15.159 17.392 1.00 0.00 O ATOM 0 H GLY A 55 3.289 14.408 18.453 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.464 16.004 17.330 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.749 16.885 18.817 1.00 0.00 H new ATOM 779 N VAL A 56 6.660 15.072 19.635 1.00 0.00 N ATOM 780 CA VAL A 56 8.006 14.538 19.821 1.00 0.00 C ATOM 781 C VAL A 56 8.254 13.344 18.905 1.00 0.00 C ATOM 782 O VAL A 56 7.560 12.331 18.987 1.00 0.00 O ATOM 783 CB VAL A 56 8.246 14.113 21.281 1.00 0.00 C ATOM 784 CG1 VAL A 56 8.320 15.333 22.186 1.00 0.00 C ATOM 785 CG2 VAL A 56 7.156 13.160 21.746 1.00 0.00 C ATOM 0 H VAL A 56 6.140 15.215 20.501 1.00 0.00 H new ATOM 0 HA VAL A 56 8.702 15.337 19.567 1.00 0.00 H new ATOM 0 HB VAL A 56 9.201 13.590 21.336 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.490 15.014 23.214 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.140 15.975 21.865 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.383 15.886 22.128 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.343 12.871 22.780 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.187 13.654 21.677 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.156 12.271 21.115 1.00 0.00 H new ATOM 795 N ARG A 57 9.244 13.474 18.028 1.00 0.00 N ATOM 796 CA ARG A 57 9.578 12.410 17.089 1.00 0.00 C ATOM 797 C ARG A 57 10.676 11.509 17.646 1.00 0.00 C ATOM 798 O ARG A 57 11.852 11.872 17.644 1.00 0.00 O ATOM 799 CB ARG A 57 10.023 13.004 15.752 1.00 0.00 C ATOM 800 CG ARG A 57 11.210 13.945 15.869 1.00 0.00 C ATOM 801 CD ARG A 57 12.337 13.540 14.931 1.00 0.00 C ATOM 802 NE ARG A 57 11.971 13.715 13.529 1.00 0.00 N ATOM 803 CZ ARG A 57 12.627 13.149 12.521 1.00 0.00 C ATOM 804 NH1 ARG A 57 13.676 12.375 12.760 1.00 0.00 N ATOM 805 NH2 ARG A 57 12.232 13.357 11.272 1.00 0.00 N ATOM 0 H ARG A 57 9.829 14.306 17.948 1.00 0.00 H new ATOM 0 HA ARG A 57 8.684 11.806 16.935 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.279 12.193 15.071 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.186 13.542 15.307 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.893 14.963 15.640 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.574 13.948 16.897 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.223 14.135 15.151 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.600 12.497 15.110 1.00 0.00 H new ATOM 0 HE ARG A 57 11.167 14.304 13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.982 12.212 13.719 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.177 11.942 11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.425 13.951 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.736 12.922 10.499 1.00 0.00 H new ATOM 819 N VAL A 58 10.282 10.332 18.119 1.00 0.00 N ATOM 820 CA VAL A 58 11.231 9.373 18.671 1.00 0.00 C ATOM 821 C VAL A 58 11.348 8.148 17.769 1.00 0.00 C ATOM 822 O VAL A 58 11.637 7.045 18.231 1.00 0.00 O ATOM 823 CB VAL A 58 10.822 8.928 20.086 1.00 0.00 C ATOM 824 CG1 VAL A 58 9.470 8.232 20.059 1.00 0.00 C ATOM 825 CG2 VAL A 58 11.885 8.027 20.698 1.00 0.00 C ATOM 0 H VAL A 58 9.311 10.019 18.131 1.00 0.00 H new ATOM 0 HA VAL A 58 12.198 9.873 18.729 1.00 0.00 H new ATOM 0 HB VAL A 58 10.734 9.816 20.711 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.199 7.925 21.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.716 8.917 19.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.526 7.354 19.416 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.574 7.725 21.698 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.014 7.142 20.075 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.829 8.568 20.760 1.00 0.00 H new ATOM 835 N GLU A 59 11.120 8.353 16.475 1.00 0.00 N ATOM 836 CA GLU A 59 11.194 7.269 15.502 1.00 0.00 C ATOM 837 C GLU A 59 10.035 6.286 15.670 1.00 0.00 C ATOM 838 O GLU A 59 10.044 5.204 15.084 1.00 0.00 O ATOM 839 CB GLU A 59 12.525 6.528 15.637 1.00 0.00 C ATOM 840 CG GLU A 59 13.732 7.451 15.693 1.00 0.00 C ATOM 841 CD GLU A 59 14.943 6.790 16.319 1.00 0.00 C ATOM 842 OE1 GLU A 59 14.884 5.570 16.581 1.00 0.00 O ATOM 843 OE2 GLU A 59 15.950 7.491 16.549 1.00 0.00 O ATOM 0 H GLU A 59 10.882 9.261 16.076 1.00 0.00 H new ATOM 0 HA GLU A 59 11.123 7.710 14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.502 5.918 16.540 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.639 5.846 14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.982 7.777 14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.475 8.344 16.262 1.00 0.00 H new ATOM 850 N GLY A 60 9.038 6.661 16.474 1.00 0.00 N ATOM 851 CA GLY A 60 7.888 5.798 16.690 1.00 0.00 C ATOM 852 C GLY A 60 8.274 4.350 16.932 1.00 0.00 C ATOM 853 O GLY A 60 7.539 3.435 16.561 1.00 0.00 O ATOM 0 H GLY A 60 9.008 7.547 16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.320 6.165 17.545 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.230 5.853 15.823 1.00 0.00 H new ATOM 857 N SER A 61 9.430 4.142 17.553 1.00 0.00 N ATOM 858 CA SER A 61 9.912 2.795 17.836 1.00 0.00 C ATOM 859 C SER A 61 10.232 2.054 16.543 1.00 0.00 C ATOM 860 O SER A 61 11.397 1.878 16.188 1.00 0.00 O ATOM 861 CB SER A 61 8.868 2.017 18.639 1.00 0.00 C ATOM 862 OG SER A 61 9.192 2.000 20.017 1.00 0.00 O ATOM 0 H SER A 61 10.050 4.888 17.870 1.00 0.00 H new ATOM 0 HA SER A 61 10.826 2.876 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.886 2.469 18.499 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.805 0.995 18.265 1.00 0.00 H new ATOM 0 HG SER A 61 8.508 1.498 20.508 1.00 0.00 H new ATOM 868 N SER A 62 9.189 1.623 15.840 1.00 0.00 N ATOM 869 CA SER A 62 9.354 0.911 14.579 1.00 0.00 C ATOM 870 C SER A 62 8.018 0.368 14.079 1.00 0.00 C ATOM 871 O SER A 62 7.309 -0.317 14.817 1.00 0.00 O ATOM 872 CB SER A 62 10.333 -0.243 14.738 1.00 0.00 C ATOM 873 OG SER A 62 10.249 -0.813 16.033 1.00 0.00 O ATOM 0 H SER A 62 8.218 1.755 16.124 1.00 0.00 H new ATOM 0 HA SER A 62 9.746 1.621 13.850 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.124 -1.006 13.988 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.348 0.111 14.559 1.00 0.00 H new ATOM 0 HG SER A 62 10.887 -1.553 16.107 1.00 0.00 H new ATOM 879 N PRO A 63 7.680 0.603 12.799 1.00 0.00 N ATOM 880 CA PRO A 63 6.414 0.180 12.231 1.00 0.00 C ATOM 881 C PRO A 63 6.527 -1.022 11.295 1.00 0.00 C ATOM 882 O PRO A 63 7.413 -1.080 10.444 1.00 0.00 O ATOM 883 CB PRO A 63 6.026 1.416 11.440 1.00 0.00 C ATOM 884 CG PRO A 63 7.327 1.933 10.908 1.00 0.00 C ATOM 885 CD PRO A 63 8.417 1.438 11.840 1.00 0.00 C ATOM 0 HA PRO A 63 5.705 -0.147 12.992 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.334 1.172 10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.532 2.154 12.071 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.497 1.576 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.321 3.022 10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.175 0.865 11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.930 2.263 12.334 1.00 0.00 H new ATOM 893 N SER A 64 5.579 -1.947 11.416 1.00 0.00 N ATOM 894 CA SER A 64 5.549 -3.131 10.563 1.00 0.00 C ATOM 895 C SER A 64 4.401 -3.051 9.563 1.00 0.00 C ATOM 896 O SER A 64 3.497 -2.228 9.702 1.00 0.00 O ATOM 897 CB SER A 64 5.463 -4.406 11.412 1.00 0.00 C ATOM 898 OG SER A 64 4.280 -5.145 11.147 1.00 0.00 O ATOM 0 H SER A 64 4.821 -1.899 12.097 1.00 0.00 H new ATOM 0 HA SER A 64 6.478 -3.169 9.995 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.333 -5.032 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.495 -4.140 12.469 1.00 0.00 H new ATOM 0 HG SER A 64 4.265 -5.949 11.706 1.00 0.00 H new ATOM 904 N LEU A 65 4.463 -3.895 8.539 1.00 0.00 N ATOM 905 CA LEU A 65 3.466 -3.891 7.475 1.00 0.00 C ATOM 906 C LEU A 65 2.675 -5.200 7.491 1.00 0.00 C ATOM 907 O LEU A 65 3.235 -6.272 7.719 1.00 0.00 O ATOM 908 CB LEU A 65 4.150 -3.693 6.105 1.00 0.00 C ATOM 909 CG LEU A 65 3.447 -4.335 4.896 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.882 -3.664 3.600 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.724 -5.829 4.845 1.00 0.00 C ATOM 0 H LEU A 65 5.197 -4.594 8.423 1.00 0.00 H new ATOM 0 HA LEU A 65 2.776 -3.064 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.242 -2.623 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.162 -4.094 6.166 1.00 0.00 H new ATOM 0 HG LEU A 65 2.373 -4.190 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.373 -4.134 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.625 -2.605 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.960 -3.772 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.218 -6.264 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.797 -5.997 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.355 -6.299 5.757 1.00 0.00 H new ATOM 923 N PHE A 66 1.371 -5.099 7.270 1.00 0.00 N ATOM 924 CA PHE A 66 0.515 -6.275 7.213 1.00 0.00 C ATOM 925 C PHE A 66 0.318 -6.694 5.765 1.00 0.00 C ATOM 926 O PHE A 66 -0.290 -5.969 4.981 1.00 0.00 O ATOM 927 CB PHE A 66 -0.837 -5.984 7.868 1.00 0.00 C ATOM 928 CG PHE A 66 -0.810 -6.062 9.368 1.00 0.00 C ATOM 929 CD1 PHE A 66 0.152 -5.376 10.094 1.00 0.00 C ATOM 930 CD2 PHE A 66 -1.748 -6.818 10.052 1.00 0.00 C ATOM 931 CE1 PHE A 66 0.177 -5.446 11.474 1.00 0.00 C ATOM 932 CE2 PHE A 66 -1.726 -6.892 11.433 1.00 0.00 C ATOM 933 CZ PHE A 66 -0.763 -6.204 12.145 1.00 0.00 C ATOM 0 H PHE A 66 0.883 -4.214 7.127 1.00 0.00 H new ATOM 0 HA PHE A 66 0.993 -7.088 7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.168 -4.989 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.574 -6.692 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.889 -4.781 9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.505 -7.356 9.501 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.932 -4.908 12.028 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.461 -7.487 11.954 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.745 -6.258 13.223 1.00 0.00 H new ATOM 943 N VAL A 67 0.858 -7.851 5.405 1.00 0.00 N ATOM 944 CA VAL A 67 0.786 -8.326 4.030 1.00 0.00 C ATOM 945 C VAL A 67 -0.148 -9.524 3.895 1.00 0.00 C ATOM 946 O VAL A 67 -0.507 -10.161 4.886 1.00 0.00 O ATOM 947 CB VAL A 67 2.186 -8.699 3.510 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.730 -9.909 4.255 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.155 -8.951 2.010 1.00 0.00 C ATOM 0 H VAL A 67 1.349 -8.476 6.044 1.00 0.00 H new ATOM 0 HA VAL A 67 0.384 -7.511 3.429 1.00 0.00 H new ATOM 0 HB VAL A 67 2.855 -7.859 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.720 -10.157 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.798 -9.681 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.062 -10.757 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.155 -9.213 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.470 -9.770 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.818 -8.050 1.497 1.00 0.00 H new ATOM 959 N ARG A 68 -0.549 -9.814 2.661 1.00 0.00 N ATOM 960 CA ARG A 68 -1.477 -10.908 2.395 1.00 0.00 C ATOM 961 C ARG A 68 -0.753 -12.208 2.069 1.00 0.00 C ATOM 962 O ARG A 68 -0.909 -13.205 2.774 1.00 0.00 O ATOM 963 CB ARG A 68 -2.412 -10.532 1.243 1.00 0.00 C ATOM 964 CG ARG A 68 -3.876 -10.461 1.646 1.00 0.00 C ATOM 965 CD ARG A 68 -4.101 -9.440 2.749 1.00 0.00 C ATOM 966 NE ARG A 68 -5.429 -9.559 3.344 1.00 0.00 N ATOM 967 CZ ARG A 68 -5.935 -8.673 4.196 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.226 -7.609 4.549 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.150 -8.851 4.696 1.00 0.00 N ATOM 0 H ARG A 68 -0.246 -9.307 1.830 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.057 -11.073 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.108 -9.566 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.299 -11.262 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.481 -10.200 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.210 -11.442 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.344 -9.570 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.974 -8.436 2.345 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.000 -10.366 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.291 -7.470 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.616 -6.930 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.697 -9.668 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.537 -8.170 5.350 1.00 0.00 H new ATOM 983 N THR A 69 0.011 -12.212 0.983 1.00 0.00 N ATOM 984 CA THR A 69 0.702 -13.419 0.553 1.00 0.00 C ATOM 985 C THR A 69 2.062 -13.570 1.259 1.00 0.00 C ATOM 986 O THR A 69 2.104 -13.846 2.458 1.00 0.00 O ATOM 987 CB THR A 69 0.847 -13.427 -0.972 1.00 0.00 C ATOM 988 OG1 THR A 69 -0.419 -13.299 -1.596 1.00 0.00 O ATOM 989 CG2 THR A 69 1.498 -14.685 -1.506 1.00 0.00 C ATOM 0 H THR A 69 0.166 -11.398 0.388 1.00 0.00 H new ATOM 0 HA THR A 69 0.103 -14.283 0.841 1.00 0.00 H new ATOM 0 HB THR A 69 1.490 -12.579 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.306 -13.304 -2.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.570 -14.625 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.497 -14.786 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.897 -15.551 -1.230 1.00 0.00 H new ATOM 997 N ASP A 70 3.171 -13.412 0.527 1.00 0.00 N ATOM 998 CA ASP A 70 4.497 -13.563 1.122 1.00 0.00 C ATOM 999 C ASP A 70 5.585 -12.984 0.221 1.00 0.00 C ATOM 1000 O ASP A 70 6.743 -13.396 0.293 1.00 0.00 O ATOM 1001 CB ASP A 70 4.784 -15.040 1.393 1.00 0.00 C ATOM 1002 CG ASP A 70 6.050 -15.242 2.203 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.000 -15.068 3.438 1.00 0.00 O ATOM 1004 OD2 ASP A 70 7.093 -15.576 1.600 1.00 0.00 O ATOM 0 H ASP A 70 3.174 -13.182 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 70 4.505 -13.009 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.941 -15.480 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.874 -15.570 0.445 1.00 0.00 H new ATOM 1009 N GLU A 71 5.214 -12.032 -0.629 1.00 0.00 N ATOM 1010 CA GLU A 71 6.170 -11.386 -1.513 1.00 0.00 C ATOM 1011 C GLU A 71 7.042 -10.433 -0.717 1.00 0.00 C ATOM 1012 O GLU A 71 8.238 -10.293 -0.978 1.00 0.00 O ATOM 1013 CB GLU A 71 5.445 -10.630 -2.629 1.00 0.00 C ATOM 1014 CG GLU A 71 6.056 -10.840 -4.005 1.00 0.00 C ATOM 1015 CD GLU A 71 5.261 -10.164 -5.105 1.00 0.00 C ATOM 1016 OE1 GLU A 71 5.369 -8.927 -5.241 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.531 -10.871 -5.831 1.00 0.00 O ATOM 0 H GLU A 71 4.257 -11.692 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 71 6.799 -12.151 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.402 -10.946 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.450 -9.565 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.075 -10.454 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.119 -11.908 -4.211 1.00 0.00 H new ATOM 1024 N VAL A 72 6.436 -9.802 0.280 1.00 0.00 N ATOM 1025 CA VAL A 72 7.152 -8.888 1.152 1.00 0.00 C ATOM 1026 C VAL A 72 8.238 -9.625 1.923 1.00 0.00 C ATOM 1027 O VAL A 72 9.342 -9.111 2.106 1.00 0.00 O ATOM 1028 CB VAL A 72 6.210 -8.212 2.153 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.281 -7.241 1.439 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.426 -9.257 2.926 1.00 0.00 C ATOM 0 H VAL A 72 5.446 -9.909 0.503 1.00 0.00 H new ATOM 0 HA VAL A 72 7.600 -8.124 0.516 1.00 0.00 H new ATOM 0 HB VAL A 72 6.805 -7.641 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.619 -6.770 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.872 -6.475 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.686 -7.781 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.761 -8.763 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.837 -9.857 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.117 -9.903 3.468 1.00 0.00 H new ATOM 1040 N ARG A 73 7.924 -10.843 2.353 1.00 0.00 N ATOM 1041 CA ARG A 73 8.886 -11.674 3.066 1.00 0.00 C ATOM 1042 C ARG A 73 10.186 -11.762 2.278 1.00 0.00 C ATOM 1043 O ARG A 73 11.275 -11.837 2.847 1.00 0.00 O ATOM 1044 CB ARG A 73 8.310 -13.075 3.279 1.00 0.00 C ATOM 1045 CG ARG A 73 8.862 -13.783 4.502 1.00 0.00 C ATOM 1046 CD ARG A 73 10.207 -14.429 4.211 1.00 0.00 C ATOM 1047 NE ARG A 73 11.070 -14.450 5.388 1.00 0.00 N ATOM 1048 CZ ARG A 73 12.238 -15.084 5.434 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.678 -15.745 4.372 1.00 0.00 N ATOM 1050 NH2 ARG A 73 12.966 -15.058 6.541 1.00 0.00 N ATOM 0 H ARG A 73 7.010 -11.276 2.220 1.00 0.00 H new ATOM 0 HA ARG A 73 9.091 -11.222 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.226 -13.002 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.515 -13.681 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.969 -13.070 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.155 -14.544 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.051 -15.448 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.704 -13.886 3.407 1.00 0.00 H new ATOM 0 HE ARG A 73 10.760 -13.951 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.120 -15.768 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.574 -16.231 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.631 -14.551 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.862 -15.545 6.574 1.00 0.00 H new ATOM 1064 N GLN A 74 10.050 -11.735 0.958 1.00 0.00 N ATOM 1065 CA GLN A 74 11.193 -11.786 0.056 1.00 0.00 C ATOM 1066 C GLN A 74 11.816 -10.406 -0.100 1.00 0.00 C ATOM 1067 O GLN A 74 12.995 -10.283 -0.432 1.00 0.00 O ATOM 1068 CB GLN A 74 10.751 -12.320 -1.311 1.00 0.00 C ATOM 1069 CG GLN A 74 9.649 -13.366 -1.230 1.00 0.00 C ATOM 1070 CD GLN A 74 9.679 -14.336 -2.395 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.392 -13.966 -3.534 1.00 0.00 O ATOM 1072 NE2 GLN A 74 10.033 -15.586 -2.117 1.00 0.00 N ATOM 0 H GLN A 74 9.148 -11.677 0.485 1.00 0.00 H new ATOM 0 HA GLN A 74 11.942 -12.455 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.405 -11.487 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.613 -12.752 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.748 -13.921 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.680 -12.867 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.263 -15.850 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.075 -16.282 -2.862 1.00 0.00 H new ATOM 1081 N LEU A 75 11.016 -9.374 0.149 1.00 0.00 N ATOM 1082 CA LEU A 75 11.483 -7.999 0.062 1.00 0.00 C ATOM 1083 C LEU A 75 12.574 -7.736 1.091 1.00 0.00 C ATOM 1084 O LEU A 75 12.340 -7.102 2.119 1.00 0.00 O ATOM 1085 CB LEU A 75 10.321 -7.037 0.269 1.00 0.00 C ATOM 1086 CG LEU A 75 10.163 -5.997 -0.823 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.823 -5.297 -0.677 1.00 0.00 C ATOM 1088 CD2 LEU A 75 11.312 -5.006 -0.791 1.00 0.00 C ATOM 0 H LEU A 75 10.036 -9.468 0.414 1.00 0.00 H new ATOM 0 HA LEU A 75 11.902 -7.839 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.398 -7.612 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.454 -6.527 1.223 1.00 0.00 H new ATOM 0 HG LEU A 75 10.187 -6.493 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.715 -4.551 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.019 -6.029 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.772 -4.808 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.179 -4.269 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.331 -4.502 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.253 -5.535 -0.942 1.00 0.00 H new ATOM 1100 N ARG A 76 13.763 -8.246 0.813 1.00 0.00 N ATOM 1101 CA ARG A 76 14.890 -8.091 1.714 1.00 0.00 C ATOM 1102 C ARG A 76 15.390 -6.648 1.716 1.00 0.00 C ATOM 1103 O ARG A 76 15.186 -5.908 0.753 1.00 0.00 O ATOM 1104 CB ARG A 76 16.011 -9.047 1.310 1.00 0.00 C ATOM 1105 CG ARG A 76 15.545 -10.484 1.106 1.00 0.00 C ATOM 1106 CD ARG A 76 16.156 -11.411 2.143 1.00 0.00 C ATOM 1107 NE ARG A 76 16.343 -12.764 1.623 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.283 -13.606 2.051 1.00 0.00 C ATOM 1109 NH1 ARG A 76 18.125 -13.246 3.011 1.00 0.00 N ATOM 1110 NH2 ARG A 76 17.379 -14.817 1.518 1.00 0.00 N ATOM 0 H ARG A 76 13.972 -8.773 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 76 14.564 -8.334 2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.468 -8.688 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.785 -9.031 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.458 -10.529 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.820 -10.820 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.117 -11.011 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.513 -11.446 3.022 1.00 0.00 H new ATOM 0 HE ARG A 76 15.714 -13.084 0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.056 -12.318 3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.841 -13.898 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.734 -15.103 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.098 -15.462 1.845 1.00 0.00 H new ATOM 1124 N ARG A 77 16.035 -6.251 2.811 1.00 0.00 N ATOM 1125 CA ARG A 77 16.543 -4.888 2.963 1.00 0.00 C ATOM 1126 C ARG A 77 17.188 -4.373 1.677 1.00 0.00 C ATOM 1127 O ARG A 77 17.751 -5.142 0.900 1.00 0.00 O ATOM 1128 CB ARG A 77 17.556 -4.830 4.108 1.00 0.00 C ATOM 1129 CG ARG A 77 17.615 -3.479 4.802 1.00 0.00 C ATOM 1130 CD ARG A 77 17.806 -3.629 6.302 1.00 0.00 C ATOM 1131 NE ARG A 77 19.102 -3.121 6.742 1.00 0.00 N ATOM 1132 CZ ARG A 77 19.373 -1.829 6.894 1.00 0.00 C ATOM 1133 NH1 ARG A 77 18.440 -0.921 6.643 1.00 0.00 N ATOM 1134 NH2 ARG A 77 20.576 -1.444 7.297 1.00 0.00 N ATOM 0 H ARG A 77 16.219 -6.857 3.610 1.00 0.00 H new ATOM 0 HA ARG A 77 15.693 -4.245 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.305 -5.595 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.545 -5.073 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.434 -2.892 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.696 -2.928 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.011 -3.096 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.717 -4.680 6.575 1.00 0.00 H new ATOM 0 HE ARG A 77 19.840 -3.795 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.513 -1.214 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.649 0.071 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.296 -2.140 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.782 -0.452 7.413 1.00 0.00 H new ATOM 1148 N GLY A 78 17.102 -3.061 1.465 1.00 0.00 N ATOM 1149 CA GLY A 78 17.684 -2.456 0.281 1.00 0.00 C ATOM 1150 C GLY A 78 16.727 -2.436 -0.896 1.00 0.00 C ATOM 1151 O GLY A 78 17.141 -2.596 -2.044 1.00 0.00 O ATOM 0 H GLY A 78 16.638 -2.406 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.990 -1.436 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.584 -3.004 0.003 1.00 0.00 H new ATOM 1155 N ASP A 79 15.443 -2.244 -0.610 1.00 0.00 N ATOM 1156 CA ASP A 79 14.424 -2.217 -1.654 1.00 0.00 C ATOM 1157 C ASP A 79 13.375 -1.142 -1.377 1.00 0.00 C ATOM 1158 O ASP A 79 13.111 -0.802 -0.225 1.00 0.00 O ATOM 1159 CB ASP A 79 13.754 -3.584 -1.764 1.00 0.00 C ATOM 1160 CG ASP A 79 14.653 -4.621 -2.408 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.629 -4.225 -3.081 1.00 0.00 O ATOM 1162 OD2 ASP A 79 14.383 -5.828 -2.240 1.00 0.00 O ATOM 0 H ASP A 79 15.084 -2.105 0.334 1.00 0.00 H new ATOM 0 HA ASP A 79 14.913 -1.976 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.466 -3.925 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.838 -3.490 -2.347 1.00 0.00 H new ATOM 1167 N THR A 80 12.784 -0.606 -2.443 1.00 0.00 N ATOM 1168 CA THR A 80 11.767 0.434 -2.312 1.00 0.00 C ATOM 1169 C THR A 80 10.417 -0.038 -2.849 1.00 0.00 C ATOM 1170 O THR A 80 10.352 -0.810 -3.805 1.00 0.00 O ATOM 1171 CB THR A 80 12.205 1.700 -3.050 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.603 1.892 -2.929 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.522 2.954 -2.547 1.00 0.00 C ATOM 0 H THR A 80 12.992 -0.874 -3.405 1.00 0.00 H new ATOM 0 HA THR A 80 11.653 0.656 -1.251 1.00 0.00 H new ATOM 0 HB THR A 80 11.917 1.543 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.780 2.613 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.878 3.814 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.444 2.857 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.751 3.095 -1.491 1.00 0.00 H new ATOM 1181 N LEU A 81 9.340 0.448 -2.235 1.00 0.00 N ATOM 1182 CA LEU A 81 7.987 0.082 -2.632 1.00 0.00 C ATOM 1183 C LEU A 81 7.082 1.319 -2.594 1.00 0.00 C ATOM 1184 O LEU A 81 7.429 2.320 -1.974 1.00 0.00 O ATOM 1185 CB LEU A 81 7.441 -1.029 -1.714 1.00 0.00 C ATOM 1186 CG LEU A 81 8.231 -1.240 -0.412 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.423 -2.024 0.609 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.547 -1.942 -0.698 1.00 0.00 C ATOM 0 H LEU A 81 9.382 1.102 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 81 8.005 -0.303 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.407 -0.795 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.429 -1.966 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 81 8.440 -0.258 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.012 -2.154 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.509 -1.480 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.168 -3.001 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.094 -2.084 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.350 -2.912 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.143 -1.335 -1.379 1.00 0.00 H new ATOM 1200 N THR A 82 5.964 1.276 -3.315 1.00 0.00 N ATOM 1201 CA THR A 82 5.046 2.419 -3.384 1.00 0.00 C ATOM 1202 C THR A 82 3.631 2.007 -2.980 1.00 0.00 C ATOM 1203 O THR A 82 3.114 1.013 -3.478 1.00 0.00 O ATOM 1204 CB THR A 82 5.033 2.977 -4.807 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.237 1.940 -5.751 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.091 4.026 -5.046 1.00 0.00 C ATOM 0 H THR A 82 5.669 0.466 -3.860 1.00 0.00 H new ATOM 0 HA THR A 82 5.392 3.185 -2.690 1.00 0.00 H new ATOM 0 HB THR A 82 4.053 3.438 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.556 1.999 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.027 4.380 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.935 4.862 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.077 3.595 -4.872 1.00 0.00 H new ATOM 1214 N ILE A 83 2.989 2.784 -2.105 1.00 0.00 N ATOM 1215 CA ILE A 83 1.647 2.427 -1.631 1.00 0.00 C ATOM 1216 C ILE A 83 0.821 3.634 -1.224 1.00 0.00 C ATOM 1217 O ILE A 83 1.327 4.556 -0.595 1.00 0.00 O ATOM 1218 CB ILE A 83 1.748 1.492 -0.418 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.391 1.115 0.162 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.552 2.159 0.658 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.485 -0.069 1.093 1.00 0.00 C ATOM 0 H ILE A 83 3.366 3.648 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 83 1.150 1.938 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 83 2.225 0.577 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.023 1.968 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.299 0.885 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.625 1.497 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.552 2.378 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.064 3.088 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.505 -0.304 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.874 -0.930 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.154 0.170 1.920 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.480 3.582 -1.509 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.364 4.684 -1.162 1.00 0.00 C ATOM 1235 C GLY A 84 -0.764 6.021 -1.552 1.00 0.00 C ATOM 1236 O GLY A 84 -0.831 6.417 -2.716 1.00 0.00 O ATOM 0 H GLY A 84 -0.937 2.797 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.323 4.554 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.560 4.671 -0.090 1.00 0.00 H new ATOM 1240 N GLU A 85 -0.092 6.678 -0.603 1.00 0.00 N ATOM 1241 CA GLU A 85 0.641 7.911 -0.923 1.00 0.00 C ATOM 1242 C GLU A 85 1.577 7.615 -2.088 1.00 0.00 C ATOM 1243 O GLU A 85 1.756 8.439 -2.981 1.00 0.00 O ATOM 1244 CB GLU A 85 1.456 8.469 0.269 1.00 0.00 C ATOM 1245 CG GLU A 85 1.496 7.601 1.524 1.00 0.00 C ATOM 1246 CD GLU A 85 2.182 6.271 1.304 1.00 0.00 C ATOM 1247 OE1 GLU A 85 3.310 6.268 0.774 1.00 0.00 O ATOM 1248 OE2 GLU A 85 1.604 5.236 1.691 1.00 0.00 O ATOM 0 H GLU A 85 -0.038 6.387 0.373 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.091 8.678 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.480 8.636 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.046 9.442 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.012 8.143 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.477 7.425 1.869 1.00 0.00 H new ATOM 1255 N GLU A 86 2.069 6.372 -2.087 1.00 0.00 N ATOM 1256 CA GLU A 86 2.953 5.813 -3.109 1.00 0.00 C ATOM 1257 C GLU A 86 4.389 5.780 -2.608 1.00 0.00 C ATOM 1258 O GLU A 86 5.332 5.946 -3.377 1.00 0.00 O ATOM 1259 CB GLU A 86 2.841 6.538 -4.456 1.00 0.00 C ATOM 1260 CG GLU A 86 3.743 7.758 -4.598 1.00 0.00 C ATOM 1261 CD GLU A 86 3.236 8.739 -5.636 1.00 0.00 C ATOM 1262 OE1 GLU A 86 2.623 8.291 -6.628 1.00 0.00 O ATOM 1263 OE2 GLU A 86 3.449 9.957 -5.456 1.00 0.00 O ATOM 0 H GLU A 86 1.853 5.705 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 86 2.626 4.790 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.077 5.833 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.806 6.849 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.821 8.262 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.747 7.433 -4.870 1.00 0.00 H new ATOM 1270 N ASN A 87 4.544 5.592 -1.301 1.00 0.00 N ATOM 1271 CA ASN A 87 5.866 5.506 -0.710 1.00 0.00 C ATOM 1272 C ASN A 87 5.932 4.474 0.414 1.00 0.00 C ATOM 1273 O ASN A 87 5.422 4.695 1.511 1.00 0.00 O ATOM 1274 CB ASN A 87 6.310 6.870 -0.186 1.00 0.00 C ATOM 1275 CG ASN A 87 7.478 7.436 -0.969 1.00 0.00 C ATOM 1276 OD1 ASN A 87 7.345 8.443 -1.665 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.632 6.788 -0.861 1.00 0.00 N ATOM 0 H ASN A 87 3.774 5.497 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 87 6.544 5.181 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.472 7.565 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.589 6.780 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.453 7.121 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.697 5.957 -0.273 1.00 0.00 H new ATOM 1284 N PHE A 88 6.637 3.388 0.142 1.00 0.00 N ATOM 1285 CA PHE A 88 6.904 2.348 1.124 1.00 0.00 C ATOM 1286 C PHE A 88 8.360 1.940 1.001 1.00 0.00 C ATOM 1287 O PHE A 88 8.901 1.854 -0.101 1.00 0.00 O ATOM 1288 CB PHE A 88 6.006 1.118 0.915 1.00 0.00 C ATOM 1289 CG PHE A 88 4.890 0.945 1.916 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.533 1.966 2.774 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.196 -0.252 1.989 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.499 1.806 3.683 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.167 -0.423 2.899 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.805 0.614 3.734 1.00 0.00 C ATOM 0 H PHE A 88 7.044 3.201 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 88 6.690 2.743 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.569 1.175 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.632 0.226 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.068 2.904 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.462 -1.063 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.237 2.613 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.648 -1.368 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.983 0.494 4.424 1.00 0.00 H new ATOM 1304 N TRP A 89 8.999 1.745 2.131 1.00 0.00 N ATOM 1305 CA TRP A 89 10.405 1.370 2.154 1.00 0.00 C ATOM 1306 C TRP A 89 10.622 0.216 3.107 1.00 0.00 C ATOM 1307 O TRP A 89 9.957 0.119 4.138 1.00 0.00 O ATOM 1308 CB TRP A 89 11.289 2.554 2.549 1.00 0.00 C ATOM 1309 CG TRP A 89 12.731 2.359 2.192 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.595 1.453 2.738 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.477 3.082 1.206 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.832 1.570 2.154 1.00 0.00 N ATOM 1313 CE2 TRP A 89 14.786 2.562 1.211 1.00 0.00 C ATOM 1314 CE3 TRP A 89 13.167 4.118 0.320 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 15.782 3.045 0.364 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 14.157 4.595 -0.518 1.00 0.00 C ATOM 1317 CH2 TRP A 89 15.450 4.059 -0.491 1.00 0.00 C ATOM 0 H TRP A 89 8.571 1.839 3.052 1.00 0.00 H new ATOM 0 HA TRP A 89 10.687 1.060 1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.919 3.455 2.059 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.206 2.718 3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 89 13.342 0.748 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.652 1.009 2.385 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.172 4.538 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 16.780 2.633 0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 13.929 5.396 -1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 89 16.201 4.455 -1.159 1.00 0.00 H new ATOM 1328 N VAL A 90 11.537 -0.676 2.760 1.00 0.00 N ATOM 1329 CA VAL A 90 11.780 -1.831 3.594 1.00 0.00 C ATOM 1330 C VAL A 90 12.761 -1.480 4.694 1.00 0.00 C ATOM 1331 O VAL A 90 13.958 -1.300 4.465 1.00 0.00 O ATOM 1332 CB VAL A 90 12.332 -3.020 2.784 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.270 -4.300 3.604 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.573 -3.181 1.476 1.00 0.00 C ATOM 0 H VAL A 90 12.113 -0.620 1.920 1.00 0.00 H new ATOM 0 HA VAL A 90 10.823 -2.127 4.024 1.00 0.00 H new ATOM 0 HB VAL A 90 13.376 -2.816 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.664 -5.129 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.866 -4.182 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.235 -4.508 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.980 -4.026 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.519 -3.359 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.676 -2.273 0.882 1.00 0.00 H new ATOM 1344 N ASP A 91 12.215 -1.386 5.891 1.00 0.00 N ATOM 1345 CA ASP A 91 12.972 -1.058 7.080 1.00 0.00 C ATOM 1346 C ASP A 91 13.366 -2.327 7.841 1.00 0.00 C ATOM 1347 O ASP A 91 14.079 -2.259 8.844 1.00 0.00 O ATOM 1348 CB ASP A 91 12.114 -0.159 7.965 1.00 0.00 C ATOM 1349 CG ASP A 91 12.932 0.610 8.985 1.00 0.00 C ATOM 1350 OD1 ASP A 91 13.550 1.627 8.604 1.00 0.00 O ATOM 1351 OD2 ASP A 91 12.956 0.195 10.162 1.00 0.00 O ATOM 0 H ASP A 91 11.221 -1.537 6.065 1.00 0.00 H new ATOM 0 HA ASP A 91 13.889 -0.542 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.567 0.545 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.373 -0.767 8.483 1.00 0.00 H new ATOM 1356 N ARG A 92 12.891 -3.479 7.346 1.00 0.00 N ATOM 1357 CA ARG A 92 13.151 -4.791 7.948 1.00 0.00 C ATOM 1358 C ARG A 92 14.493 -4.858 8.674 1.00 0.00 C ATOM 1359 O ARG A 92 15.451 -4.179 8.306 1.00 0.00 O ATOM 1360 CB ARG A 92 13.097 -5.872 6.865 1.00 0.00 C ATOM 1361 CG ARG A 92 11.680 -6.293 6.501 1.00 0.00 C ATOM 1362 CD ARG A 92 11.610 -7.758 6.083 1.00 0.00 C ATOM 1363 NE ARG A 92 12.850 -8.225 5.463 1.00 0.00 N ATOM 1364 CZ ARG A 92 13.166 -9.509 5.325 1.00 0.00 C ATOM 1365 NH1 ARG A 92 12.336 -10.448 5.757 1.00 0.00 N ATOM 1366 NH2 ARG A 92 14.312 -9.854 4.754 1.00 0.00 N ATOM 0 H ARG A 92 12.310 -3.525 6.509 1.00 0.00 H new ATOM 0 HA ARG A 92 12.376 -4.959 8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.600 -5.505 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.651 -6.746 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.022 -6.127 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.313 -5.666 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.391 -8.372 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.785 -7.894 5.384 1.00 0.00 H new ATOM 0 HE ARG A 92 13.509 -7.527 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.453 -10.186 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.580 -11.433 5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.952 -9.134 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.553 -10.840 4.649 1.00 0.00 H new ATOM 1380 N VAL A 93 14.543 -5.687 9.710 1.00 0.00 N ATOM 1381 CA VAL A 93 15.745 -5.845 10.518 1.00 0.00 C ATOM 1382 C VAL A 93 16.686 -6.879 9.908 1.00 0.00 C ATOM 1383 O VAL A 93 17.790 -6.550 9.476 1.00 0.00 O ATOM 1384 CB VAL A 93 15.405 -6.271 11.962 1.00 0.00 C ATOM 1385 CG1 VAL A 93 16.530 -5.886 12.911 1.00 0.00 C ATOM 1386 CG2 VAL A 93 14.083 -5.661 12.413 1.00 0.00 C ATOM 0 H VAL A 93 13.758 -6.264 10.012 1.00 0.00 H new ATOM 0 HA VAL A 93 16.238 -4.873 10.540 1.00 0.00 H new ATOM 0 HB VAL A 93 15.297 -7.355 11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 93 16.273 -6.194 13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 93 17.451 -6.382 12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.674 -4.806 12.886 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.866 -5.976 13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.153 -4.574 12.376 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.284 -5.996 11.752 1.00 0.00 H new ATOM 1396 N SER A 94 16.241 -8.130 9.882 1.00 0.00 N ATOM 1397 CA SER A 94 17.044 -9.214 9.329 1.00 0.00 C ATOM 1398 C SER A 94 16.239 -10.510 9.258 1.00 0.00 C ATOM 1399 O SER A 94 15.456 -10.813 10.158 1.00 0.00 O ATOM 1400 CB SER A 94 18.302 -9.427 10.175 1.00 0.00 C ATOM 1401 OG SER A 94 18.871 -10.701 9.931 1.00 0.00 O ATOM 0 H SER A 94 15.329 -8.419 10.237 1.00 0.00 H new ATOM 0 HA SER A 94 17.337 -8.935 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.032 -8.650 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.053 -9.333 11.232 1.00 0.00 H new ATOM 0 HG SER A 94 19.674 -10.812 10.482 1.00 0.00 H new ATOM 1407 N PRO A 95 16.424 -11.295 8.183 1.00 0.00 N ATOM 1408 CA PRO A 95 15.712 -12.561 7.999 1.00 0.00 C ATOM 1409 C PRO A 95 16.263 -13.671 8.889 1.00 0.00 C ATOM 1410 O PRO A 95 17.064 -14.494 8.446 1.00 0.00 O ATOM 1411 CB PRO A 95 15.955 -12.886 6.526 1.00 0.00 C ATOM 1412 CG PRO A 95 17.262 -12.245 6.210 1.00 0.00 C ATOM 1413 CD PRO A 95 17.341 -11.007 7.063 1.00 0.00 C ATOM 0 HA PRO A 95 14.658 -12.482 8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 95 15.991 -13.962 6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.158 -12.492 5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.089 -12.921 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.326 -11.993 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.357 -10.826 7.414 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.032 -10.120 6.511 1.00 0.00 H new ATOM 1421 N ASP A 96 15.832 -13.684 10.145 1.00 0.00 N ATOM 1422 CA ASP A 96 16.284 -14.691 11.097 1.00 0.00 C ATOM 1423 C ASP A 96 15.139 -15.140 12.000 1.00 0.00 C ATOM 1424 O ASP A 96 13.994 -14.727 11.818 1.00 0.00 O ATOM 1425 CB ASP A 96 17.432 -14.139 11.947 1.00 0.00 C ATOM 1426 CG ASP A 96 18.779 -14.688 11.523 1.00 0.00 C ATOM 1427 OD1 ASP A 96 19.119 -14.571 10.327 1.00 0.00 O ATOM 1428 OD2 ASP A 96 19.497 -15.236 12.388 1.00 0.00 O ATOM 0 H ASP A 96 15.170 -13.009 10.528 1.00 0.00 H new ATOM 0 HA ASP A 96 16.639 -15.554 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.446 -13.052 11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.256 -14.384 12.994 1.00 0.00 H new ATOM 1433 N ASP A 97 15.456 -15.989 12.972 1.00 0.00 N ATOM 1434 CA ASP A 97 14.455 -16.494 13.903 1.00 0.00 C ATOM 1435 C ASP A 97 14.051 -15.415 14.903 1.00 0.00 C ATOM 1436 O ASP A 97 14.796 -15.106 15.832 1.00 0.00 O ATOM 1437 CB ASP A 97 14.991 -17.719 14.645 1.00 0.00 C ATOM 1438 CG ASP A 97 16.322 -17.451 15.321 1.00 0.00 C ATOM 1439 OD1 ASP A 97 16.873 -16.347 15.126 1.00 0.00 O ATOM 1440 OD2 ASP A 97 16.812 -18.344 16.043 1.00 0.00 O ATOM 0 H ASP A 97 16.399 -16.342 13.135 1.00 0.00 H new ATOM 0 HA ASP A 97 13.573 -16.782 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.264 -18.034 15.393 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.103 -18.545 13.943 1.00 0.00 H new ATOM 1445 N GLY A 98 12.866 -14.845 14.705 1.00 0.00 N ATOM 1446 CA GLY A 98 12.383 -13.808 15.598 1.00 0.00 C ATOM 1447 C GLY A 98 11.800 -12.624 14.853 1.00 0.00 C ATOM 1448 O GLY A 98 10.743 -12.111 15.220 1.00 0.00 O ATOM 0 H GLY A 98 12.232 -15.083 13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.624 -14.227 16.259 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.203 -13.467 16.230 1.00 0.00 H new ATOM 1452 N GLY A 99 12.491 -12.185 13.805 1.00 0.00 N ATOM 1453 CA GLY A 99 12.019 -11.056 13.027 1.00 0.00 C ATOM 1454 C GLY A 99 11.733 -11.422 11.585 1.00 0.00 C ATOM 1455 O GLY A 99 11.951 -10.619 10.677 1.00 0.00 O ATOM 0 H GLY A 99 13.369 -12.591 13.482 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.113 -10.658 13.484 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.765 -10.262 13.055 1.00 0.00 H new ATOM 1459 N SER A 100 11.243 -12.639 11.373 1.00 0.00 N ATOM 1460 CA SER A 100 10.925 -13.113 10.031 1.00 0.00 C ATOM 1461 C SER A 100 9.448 -12.901 9.717 1.00 0.00 C ATOM 1462 O SER A 100 8.579 -13.230 10.524 1.00 0.00 O ATOM 1463 CB SER A 100 11.280 -14.595 9.894 1.00 0.00 C ATOM 1464 OG SER A 100 12.551 -14.762 9.289 1.00 0.00 O ATOM 0 H SER A 100 11.057 -13.315 12.114 1.00 0.00 H new ATOM 0 HA SER A 100 11.516 -12.538 9.319 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.277 -15.065 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.521 -15.100 9.297 1.00 0.00 H new ATOM 0 HG SER A 100 13.243 -14.780 9.982 1.00 0.00 H new ATOM 1470 N CYS A 101 9.171 -12.351 8.540 1.00 0.00 N ATOM 1471 CA CYS A 101 7.798 -12.096 8.119 1.00 0.00 C ATOM 1472 C CYS A 101 7.177 -10.976 8.945 1.00 0.00 C ATOM 1473 O CYS A 101 6.079 -11.121 9.483 1.00 0.00 O ATOM 1474 CB CYS A 101 6.961 -13.366 8.252 1.00 0.00 C ATOM 1475 SG CYS A 101 5.795 -13.628 6.896 1.00 0.00 S ATOM 0 H CYS A 101 9.879 -12.073 7.860 1.00 0.00 H new ATOM 0 HA CYS A 101 7.814 -11.787 7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 101 7.630 -14.224 8.312 1.00 0.00 H new ATOM 0 HB3 CYS A 101 6.408 -13.327 9.190 1.00 0.00 H new ATOM 0 HG CYS A 101 5.135 -14.729 7.098 1.00 0.00 H new ATOM 1481 N HIS A 102 7.890 -9.862 9.042 1.00 0.00 N ATOM 1482 CA HIS A 102 7.413 -8.710 9.796 1.00 0.00 C ATOM 1483 C HIS A 102 7.270 -7.499 8.891 1.00 0.00 C ATOM 1484 O HIS A 102 6.316 -6.730 9.003 1.00 0.00 O ATOM 1485 CB HIS A 102 8.383 -8.378 10.936 1.00 0.00 C ATOM 1486 CG HIS A 102 7.745 -8.410 12.290 1.00 0.00 C ATOM 1487 ND1 HIS A 102 6.967 -7.382 12.781 1.00 0.00 N ATOM 1488 CD2 HIS A 102 7.769 -9.355 13.260 1.00 0.00 C ATOM 1489 CE1 HIS A 102 6.542 -7.693 13.993 1.00 0.00 C ATOM 1490 NE2 HIS A 102 7.015 -8.884 14.306 1.00 0.00 N ATOM 0 H HIS A 102 8.803 -9.731 8.607 1.00 0.00 H new ATOM 0 HA HIS A 102 6.438 -8.962 10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.211 -9.087 10.916 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.806 -7.388 10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.285 -10.303 13.218 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.915 -7.077 14.620 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.847 -9.376 15.184 1.00 0.00 H new ATOM 1499 N LEU A 103 8.240 -7.332 8.006 1.00 0.00 N ATOM 1500 CA LEU A 103 8.268 -6.195 7.106 1.00 0.00 C ATOM 1501 C LEU A 103 8.072 -4.895 7.869 1.00 0.00 C ATOM 1502 O LEU A 103 6.944 -4.493 8.161 1.00 0.00 O ATOM 1503 CB LEU A 103 7.209 -6.319 6.006 1.00 0.00 C ATOM 1504 CG LEU A 103 7.675 -5.927 4.588 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.501 -5.439 3.753 1.00 0.00 C ATOM 1506 CD2 LEU A 103 8.761 -4.857 4.630 1.00 0.00 C ATOM 0 H LEU A 103 9.023 -7.976 7.893 1.00 0.00 H new ATOM 0 HA LEU A 103 9.250 -6.184 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.855 -7.350 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.356 -5.695 6.275 1.00 0.00 H new ATOM 0 HG LEU A 103 8.095 -6.820 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.851 -5.168 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.757 -6.232 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.053 -4.567 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.064 -4.606 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.374 -3.965 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.622 -5.234 5.183 1.00 0.00 H new ATOM 1518 N TRP A 104 9.177 -4.231 8.166 1.00 0.00 N ATOM 1519 CA TRP A 104 9.140 -2.952 8.849 1.00 0.00 C ATOM 1520 C TRP A 104 9.273 -1.854 7.802 1.00 0.00 C ATOM 1521 O TRP A 104 9.985 -2.024 6.817 1.00 0.00 O ATOM 1522 CB TRP A 104 10.245 -2.895 9.904 1.00 0.00 C ATOM 1523 CG TRP A 104 9.746 -3.121 11.299 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.177 -2.199 12.128 1.00 0.00 C ATOM 1525 CD2 TRP A 104 9.770 -4.356 12.028 1.00 0.00 C ATOM 1526 NE1 TRP A 104 8.849 -2.782 13.329 1.00 0.00 N ATOM 1527 CE2 TRP A 104 9.202 -4.105 13.292 1.00 0.00 C ATOM 1528 CE3 TRP A 104 10.216 -5.648 11.735 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 9.069 -5.098 14.260 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 10.084 -6.632 12.698 1.00 0.00 C ATOM 1531 CH2 TRP A 104 9.514 -6.352 13.945 1.00 0.00 C ATOM 0 H TRP A 104 10.116 -4.561 7.942 1.00 0.00 H new ATOM 0 HA TRP A 104 8.197 -2.813 9.377 1.00 0.00 H new ATOM 0 HB2 TRP A 104 11.000 -3.645 9.670 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.735 -1.923 9.854 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.009 -1.162 11.877 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.413 -2.307 14.119 1.00 0.00 H new ATOM 0 HE3 TRP A 104 10.655 -5.874 10.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 8.631 -4.885 15.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 10.427 -7.634 12.484 1.00 0.00 H new ATOM 0 HH2 TRP A 104 9.424 -7.143 14.674 1.00 0.00 H new ATOM 1542 N LEU A 105 8.473 -0.801 7.928 1.00 0.00 N ATOM 1543 CA LEU A 105 8.366 0.180 6.862 1.00 0.00 C ATOM 1544 C LEU A 105 8.976 1.540 7.157 1.00 0.00 C ATOM 1545 O LEU A 105 9.070 1.980 8.303 1.00 0.00 O ATOM 1546 CB LEU A 105 6.902 0.423 6.548 1.00 0.00 C ATOM 1547 CG LEU A 105 6.086 -0.812 6.221 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.706 -1.546 7.492 1.00 0.00 C ATOM 1549 CD2 LEU A 105 4.869 -0.399 5.449 1.00 0.00 C ATOM 0 H LEU A 105 7.897 -0.609 8.748 1.00 0.00 H new ATOM 0 HA LEU A 105 8.928 -0.255 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.444 0.923 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.840 1.111 5.705 1.00 0.00 H new ATOM 0 HG LEU A 105 6.678 -1.496 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.120 -2.430 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.609 -1.848 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.114 -0.888 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.274 -1.280 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.273 0.288 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.174 0.096 4.527 1.00 0.00 H new ATOM 1561 N GLY A 106 9.213 2.250 6.062 1.00 0.00 N ATOM 1562 CA GLY A 106 9.640 3.633 6.088 1.00 0.00 C ATOM 1563 C GLY A 106 9.090 4.367 4.869 1.00 0.00 C ATOM 1564 O GLY A 106 9.471 4.058 3.743 1.00 0.00 O ATOM 0 H GLY A 106 9.111 1.872 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.291 4.114 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.729 3.687 6.096 1.00 0.00 H new ATOM 1568 N ARG A 107 8.142 5.284 5.071 1.00 0.00 N ATOM 1569 CA ARG A 107 7.516 5.975 3.938 1.00 0.00 C ATOM 1570 C ARG A 107 8.140 7.337 3.694 1.00 0.00 C ATOM 1571 O ARG A 107 8.245 8.157 4.607 1.00 0.00 O ATOM 1572 CB ARG A 107 6.009 6.171 4.162 1.00 0.00 C ATOM 1573 CG ARG A 107 5.253 4.889 4.422 1.00 0.00 C ATOM 1574 CD ARG A 107 3.828 4.965 3.885 1.00 0.00 C ATOM 1575 NE ARG A 107 2.844 4.908 4.969 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.628 4.367 4.864 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.224 3.818 3.725 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.816 4.366 5.912 1.00 0.00 N ATOM 0 H ARG A 107 7.795 5.563 5.989 1.00 0.00 H new ATOM 0 HA ARG A 107 7.681 5.339 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.862 6.844 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.583 6.660 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.776 4.055 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.230 4.689 5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.699 5.890 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.655 4.143 3.191 1.00 0.00 H new ATOM 0 HE ARG A 107 3.107 5.311 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.845 3.806 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.292 3.408 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.121 4.777 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.114 3.954 5.836 1.00 0.00 H new ATOM 1592 N GLY A 108 8.500 7.594 2.443 1.00 0.00 N ATOM 1593 CA GLY A 108 9.010 8.897 2.083 1.00 0.00 C ATOM 1594 C GLY A 108 7.914 9.944 2.124 1.00 0.00 C ATOM 1595 O GLY A 108 8.189 11.141 2.214 1.00 0.00 O ATOM 0 H GLY A 108 8.447 6.924 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.811 9.178 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.442 8.858 1.083 1.00 0.00 H new ATOM 1599 N VAL A 109 6.662 9.484 2.077 1.00 0.00 N ATOM 1600 CA VAL A 109 5.512 10.375 2.124 1.00 0.00 C ATOM 1601 C VAL A 109 4.584 10.007 3.280 1.00 0.00 C ATOM 1602 O VAL A 109 4.331 8.830 3.532 1.00 0.00 O ATOM 1603 CB VAL A 109 4.715 10.336 0.807 1.00 0.00 C ATOM 1604 CG1 VAL A 109 3.539 11.299 0.862 1.00 0.00 C ATOM 1605 CG2 VAL A 109 5.620 10.652 -0.374 1.00 0.00 C ATOM 0 H VAL A 109 6.423 8.495 2.006 1.00 0.00 H new ATOM 0 HA VAL A 109 5.897 11.384 2.274 1.00 0.00 H new ATOM 0 HB VAL A 109 4.320 9.329 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.989 11.256 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.878 11.019 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.906 12.313 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.040 10.620 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.047 11.647 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.422 9.916 -0.425 1.00 0.00 H new ATOM 1615 N PRO A 110 4.063 11.014 4.004 1.00 0.00 N ATOM 1616 CA PRO A 110 3.161 10.787 5.140 1.00 0.00 C ATOM 1617 C PRO A 110 1.864 10.097 4.722 1.00 0.00 C ATOM 1618 O PRO A 110 1.545 10.024 3.535 1.00 0.00 O ATOM 1619 CB PRO A 110 2.873 12.197 5.667 1.00 0.00 C ATOM 1620 CG PRO A 110 3.190 13.107 4.529 1.00 0.00 C ATOM 1621 CD PRO A 110 4.309 12.449 3.777 1.00 0.00 C ATOM 0 HA PRO A 110 3.608 10.128 5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.832 12.298 5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 110 3.487 12.426 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.320 13.250 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 110 3.487 14.093 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.285 12.700 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.284 12.756 4.155 1.00 0.00 H new ATOM 1629 N PRO A 111 1.097 9.581 5.699 1.00 0.00 N ATOM 1630 CA PRO A 111 -0.168 8.890 5.438 1.00 0.00 C ATOM 1631 C PRO A 111 -1.278 9.854 5.035 1.00 0.00 C ATOM 1632 O PRO A 111 -1.013 10.939 4.517 1.00 0.00 O ATOM 1633 CB PRO A 111 -0.515 8.224 6.778 1.00 0.00 C ATOM 1634 CG PRO A 111 0.677 8.417 7.655 1.00 0.00 C ATOM 1635 CD PRO A 111 1.401 9.621 7.133 1.00 0.00 C ATOM 0 HA PRO A 111 -0.073 8.185 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -1.402 8.677 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -0.732 7.164 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.375 8.565 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.321 7.538 7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 111 1.045 10.541 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 111 2.473 9.563 7.322 1.00 0.00 H new ATOM 1643 N ALA A 112 -2.520 9.457 5.290 1.00 0.00 N ATOM 1644 CA ALA A 112 -3.667 10.295 4.973 1.00 0.00 C ATOM 1645 C ALA A 112 -3.769 10.538 3.470 1.00 0.00 C ATOM 1646 O ALA A 112 -3.635 11.669 3.002 1.00 0.00 O ATOM 1647 CB ALA A 112 -3.570 11.613 5.725 1.00 0.00 C ATOM 0 H ALA A 112 -2.756 8.560 5.715 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.572 9.776 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.432 12.235 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.552 11.420 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.656 12.131 5.435 1.00 0.00 H new ATOM 1653 N VAL A 113 -4.011 9.468 2.719 1.00 0.00 N ATOM 1654 CA VAL A 113 -4.118 9.562 1.268 1.00 0.00 C ATOM 1655 C VAL A 113 -5.505 9.148 0.779 1.00 0.00 C ATOM 1656 O VAL A 113 -5.915 9.510 -0.325 1.00 0.00 O ATOM 1657 CB VAL A 113 -3.060 8.685 0.572 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -3.170 8.813 -0.940 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -1.664 9.055 1.046 1.00 0.00 C ATOM 0 H VAL A 113 -4.137 8.527 3.091 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.947 10.607 1.010 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.245 7.644 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.415 8.186 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.161 8.492 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.013 9.852 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.930 8.425 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.465 10.101 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.594 8.905 2.123 1.00 0.00 H new ATOM 1669 N ASN A 114 -6.220 8.382 1.595 1.00 0.00 N ATOM 1670 CA ASN A 114 -7.555 7.918 1.233 1.00 0.00 C ATOM 1671 C ASN A 114 -8.488 9.095 0.966 1.00 0.00 C ATOM 1672 O ASN A 114 -9.108 9.180 -0.094 1.00 0.00 O ATOM 1673 CB ASN A 114 -8.129 7.035 2.343 1.00 0.00 C ATOM 1674 CG ASN A 114 -8.170 5.571 1.952 1.00 0.00 C ATOM 1675 OD1 ASN A 114 -8.314 5.235 0.776 1.00 0.00 O ATOM 1676 ND2 ASN A 114 -8.040 4.691 2.938 1.00 0.00 N ATOM 0 H ASN A 114 -5.898 8.069 2.511 1.00 0.00 H new ATOM 0 HA ASN A 114 -7.473 7.331 0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.527 7.151 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.137 7.372 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.057 3.692 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -7.923 5.015 3.898 1.00 0.00 H new ATOM 1683 N ARG A 115 -8.583 10.001 1.934 1.00 0.00 N ATOM 1684 CA ARG A 115 -9.438 11.176 1.802 1.00 0.00 C ATOM 1685 C ARG A 115 -10.847 10.780 1.377 1.00 0.00 C ATOM 1686 O ARG A 115 -11.203 9.601 1.393 1.00 0.00 O ATOM 1687 CB ARG A 115 -8.846 12.155 0.783 1.00 0.00 C ATOM 1688 CG ARG A 115 -7.326 12.168 0.755 1.00 0.00 C ATOM 1689 CD ARG A 115 -6.747 12.780 2.020 1.00 0.00 C ATOM 1690 NE ARG A 115 -6.311 14.158 1.812 1.00 0.00 N ATOM 1691 CZ ARG A 115 -5.345 14.505 0.968 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -4.715 13.579 0.258 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -5.006 15.780 0.834 1.00 0.00 N ATOM 0 H ARG A 115 -8.078 9.944 2.819 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.493 11.662 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.216 11.899 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.204 13.160 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.955 11.149 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.983 12.732 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.496 12.752 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.903 12.180 2.359 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.774 14.895 2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.971 12.597 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.974 13.849 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.487 16.496 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.264 16.045 0.186 1.00 0.00 H new ATOM 1707 N ARG A 116 -11.645 11.771 0.995 1.00 0.00 N ATOM 1708 CA ARG A 116 -13.015 11.526 0.559 1.00 0.00 C ATOM 1709 C ARG A 116 -13.150 11.690 -0.954 1.00 0.00 C ATOM 1710 O ARG A 116 -14.249 11.896 -1.467 1.00 0.00 O ATOM 1711 CB ARG A 116 -13.977 12.479 1.271 1.00 0.00 C ATOM 1712 CG ARG A 116 -14.688 11.851 2.460 1.00 0.00 C ATOM 1713 CD ARG A 116 -15.874 11.008 2.018 1.00 0.00 C ATOM 1714 NE ARG A 116 -16.997 11.830 1.576 1.00 0.00 N ATOM 1715 CZ ARG A 116 -18.148 11.329 1.142 1.00 0.00 C ATOM 1716 NH1 ARG A 116 -18.326 10.016 1.093 1.00 0.00 N ATOM 1717 NH2 ARG A 116 -19.123 12.142 0.757 1.00 0.00 N ATOM 0 H ARG A 116 -11.367 12.752 0.978 1.00 0.00 H new ATOM 0 HA ARG A 116 -13.269 10.498 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -13.423 13.354 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -14.722 12.830 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -13.987 11.230 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -15.029 12.634 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -15.567 10.348 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -16.194 10.372 2.843 1.00 0.00 H new ATOM 0 HE ARG A 116 -16.892 12.844 1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -17.578 9.389 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -19.211 9.633 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -18.989 13.152 0.794 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -20.007 11.757 0.424 1.00 0.00 H new ATOM 1731 N ARG A 117 -12.028 11.596 -1.663 1.00 0.00 N ATOM 1732 CA ARG A 117 -12.027 11.739 -3.110 1.00 0.00 C ATOM 1733 C ARG A 117 -12.242 10.392 -3.792 1.00 0.00 C ATOM 1734 O ARG A 117 -11.260 9.838 -4.330 1.00 0.00 O ATOM 1735 CB ARG A 117 -10.711 12.359 -3.583 1.00 0.00 C ATOM 1736 CG ARG A 117 -10.650 13.867 -3.402 1.00 0.00 C ATOM 1737 CD ARG A 117 -9.214 14.362 -3.329 1.00 0.00 C ATOM 1738 NE ARG A 117 -8.780 14.968 -4.584 1.00 0.00 N ATOM 1739 CZ ARG A 117 -9.217 16.143 -5.024 1.00 0.00 C ATOM 1740 NH1 ARG A 117 -10.097 16.835 -4.314 1.00 0.00 N ATOM 1741 NH2 ARG A 117 -8.773 16.629 -6.176 1.00 0.00 N ATOM 1742 OXT ARG A 117 -13.391 9.901 -3.782 1.00 0.00 O ATOM 0 H ARG A 117 -11.109 11.421 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 117 -12.850 12.399 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -9.886 11.902 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -10.565 12.122 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -11.162 14.355 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -11.179 14.147 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -9.122 15.091 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -8.556 13.529 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 117 -8.104 14.461 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -10.440 16.466 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -10.431 17.737 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -8.095 16.100 -6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -9.109 17.531 -6.512 1.00 0.00 H new TER 1756 ARG A 117