USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot 160:sc= -2.06! USER MOD Set 2.1: A 32 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.357 F(o=-2.9!,f=-0.36) USER MOD Single : A 20 THR OG1 : rot 64:sc= 0.427 USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= -0.755 (180deg=-0.849) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= -3.89! (180deg=-5.6!) USER MOD Single : A 27 CYS SG : rot 111:sc= -3.9! USER MOD Single : A 30 SER OG : rot 88:sc= 1.28 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 165:sc= -1.26 (180deg=-1.54) USER MOD Single : A 36 ASN : amide:sc=-0.00739 X(o=-0.0074,f=-0.011) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0181 F(o=-0.8,f=-0.018) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -1.29 (180deg=-1.62) USER MOD Single : A 56 GLN : amide:sc= -0.59 X(o=-0.59,f=-0.4) USER MOD Single : A 59 GLN : amide:sc= -2.27 K(o=-2.3,f=-2.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 0.106 (180deg=0.0645) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.12 USER MOD Single : A 93 THR OG1 : rot 30:sc= 0.998 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.148 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.0098) USER MOD Single : A 111 GLN : amide:sc= -5.06! C(o=-5.1!,f=-8.4!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 20:sc= -1.54! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 152:sc= -0.179 (180deg=-2.29!) USER MOD Single : A 124 THR OG1 : rot 39:sc= -0.636 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.838 4.407 13.905 1.00 0.00 N ATOM 22 CA LEU A 3 -14.640 4.942 13.225 1.00 0.00 C ATOM 23 C LEU A 3 -13.354 4.699 14.033 1.00 0.00 C ATOM 24 O LEU A 3 -12.582 3.798 13.707 1.00 0.00 O ATOM 25 CB LEU A 3 -14.796 6.445 12.880 1.00 0.00 C ATOM 26 CG LEU A 3 -15.717 6.763 11.695 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.181 6.768 12.121 1.00 0.00 C ATOM 28 CD2 LEU A 3 -15.339 8.100 11.076 1.00 0.00 C ATOM 0 HA LEU A 3 -14.548 4.390 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.175 6.964 13.761 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.808 6.855 12.669 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.588 5.980 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.810 6.996 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.448 5.788 12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.333 7.523 12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.001 8.312 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.437 8.887 11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.308 8.060 10.724 1.00 0.00 H new ATOM 40 N THR A 4 -13.157 5.481 15.108 1.00 0.00 N ATOM 41 CA THR A 4 -11.957 5.398 15.961 1.00 0.00 C ATOM 42 C THR A 4 -11.676 3.979 16.489 1.00 0.00 C ATOM 43 O THR A 4 -12.339 3.497 17.415 1.00 0.00 O ATOM 44 CB THR A 4 -12.010 6.432 17.135 1.00 0.00 C ATOM 45 OG1 THR A 4 -10.866 6.284 17.988 1.00 0.00 O ATOM 46 CG2 THR A 4 -13.287 6.311 17.975 1.00 0.00 C ATOM 0 H THR A 4 -13.825 6.189 15.411 1.00 0.00 H new ATOM 0 HA THR A 4 -11.119 5.656 15.313 1.00 0.00 H new ATOM 0 HB THR A 4 -12.008 7.420 16.675 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.914 6.939 18.716 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.269 7.052 18.774 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.157 6.482 17.341 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.344 5.312 18.408 1.00 0.00 H new ATOM 54 N GLY A 5 -10.691 3.327 15.861 1.00 0.00 N ATOM 55 CA GLY A 5 -10.298 1.984 16.257 1.00 0.00 C ATOM 56 C GLY A 5 -8.790 1.806 16.304 1.00 0.00 C ATOM 57 O GLY A 5 -8.142 2.248 17.257 1.00 0.00 O ATOM 0 H GLY A 5 -10.158 3.711 15.081 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.717 1.761 17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.723 1.264 15.558 1.00 0.00 H new ATOM 61 N ALA A 6 -8.234 1.155 15.270 1.00 0.00 N ATOM 62 CA ALA A 6 -6.789 0.901 15.183 1.00 0.00 C ATOM 63 C ALA A 6 -6.239 1.128 13.765 1.00 0.00 C ATOM 64 O ALA A 6 -5.037 0.955 13.528 1.00 0.00 O ATOM 65 CB ALA A 6 -6.476 -0.517 15.653 1.00 0.00 C ATOM 0 H ALA A 6 -8.767 0.794 14.479 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.293 1.618 15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.403 -0.694 15.584 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.798 -0.637 16.687 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.003 -1.234 15.023 1.00 0.00 H new ATOM 71 N LEU A 7 -7.114 1.528 12.834 1.00 0.00 N ATOM 72 CA LEU A 7 -6.712 1.789 11.454 1.00 0.00 C ATOM 73 C LEU A 7 -6.853 3.283 11.202 1.00 0.00 C ATOM 74 O LEU A 7 -7.810 3.746 10.567 1.00 0.00 O ATOM 75 CB LEU A 7 -7.547 0.939 10.454 1.00 0.00 C ATOM 76 CG LEU A 7 -6.995 0.746 9.012 1.00 0.00 C ATOM 77 CD1 LEU A 7 -7.167 2.002 8.165 1.00 0.00 C ATOM 78 CD2 LEU A 7 -5.533 0.300 9.011 1.00 0.00 C ATOM 0 H LEU A 7 -8.106 1.677 13.016 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.674 1.494 11.298 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.686 -0.049 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.534 1.394 10.374 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.588 -0.050 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.769 1.825 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.226 2.251 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.630 2.830 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.191 0.178 7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.923 1.053 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.442 -0.649 9.539 1.00 0.00 H new ATOM 90 N ALA A 8 -5.884 4.049 11.746 1.00 0.00 N ATOM 91 CA ALA A 8 -5.872 5.523 11.658 1.00 0.00 C ATOM 92 C ALA A 8 -7.148 6.100 12.299 1.00 0.00 C ATOM 93 O ALA A 8 -7.606 7.194 11.943 1.00 0.00 O ATOM 94 CB ALA A 8 -5.707 5.994 10.207 1.00 0.00 C ATOM 0 H ALA A 8 -5.090 3.663 12.257 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.011 5.897 12.213 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.702 7.084 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.767 5.615 9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.535 5.618 9.606 1.00 0.00 H new ATOM 100 N MET A 9 -7.705 5.329 13.273 1.00 0.00 N ATOM 101 CA MET A 9 -8.945 5.676 14.002 1.00 0.00 C ATOM 102 C MET A 9 -10.173 5.503 13.087 1.00 0.00 C ATOM 103 O MET A 9 -11.115 6.304 13.117 1.00 0.00 O ATOM 104 CB MET A 9 -8.881 7.101 14.603 1.00 0.00 C ATOM 105 CG MET A 9 -7.918 7.229 15.776 1.00 0.00 C ATOM 106 SD MET A 9 -7.939 8.871 16.529 1.00 0.00 S ATOM 107 CE MET A 9 -6.908 9.796 15.391 1.00 0.00 C ATOM 0 H MET A 9 -7.298 4.443 13.572 1.00 0.00 H new ATOM 0 HA MET A 9 -9.044 4.987 14.841 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.584 7.802 13.823 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.879 7.393 14.930 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.173 6.486 16.531 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.907 7.004 15.436 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.830 10.830 15.728 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.914 9.350 15.356 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.352 9.772 14.396 1.00 0.00 H new ATOM 117 N ARG A 10 -10.135 4.434 12.260 1.00 0.00 N ATOM 118 CA ARG A 10 -11.216 4.112 11.303 1.00 0.00 C ATOM 119 C ARG A 10 -11.333 2.599 11.062 1.00 0.00 C ATOM 120 O ARG A 10 -12.036 2.157 10.146 1.00 0.00 O ATOM 121 CB ARG A 10 -10.986 4.834 9.967 1.00 0.00 C ATOM 122 CG ARG A 10 -11.125 6.349 10.036 1.00 0.00 C ATOM 123 CD ARG A 10 -10.155 7.032 9.087 1.00 0.00 C ATOM 124 NE ARG A 10 -10.296 8.492 9.113 1.00 0.00 N ATOM 125 CZ ARG A 10 -9.547 9.344 8.398 1.00 0.00 C ATOM 126 NH1 ARG A 10 -8.587 8.904 7.586 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.763 10.649 8.499 1.00 0.00 N ATOM 0 H ARG A 10 -9.358 3.774 12.237 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.151 4.457 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.988 4.590 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.695 4.450 9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.146 6.635 9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.940 6.688 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.134 6.762 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.324 6.670 8.073 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.015 8.887 9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.411 7.903 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.028 9.568 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.495 10.998 9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.197 11.303 7.958 1.00 0.00 H new ATOM 141 N LEU A 11 -10.658 1.804 11.902 1.00 0.00 N ATOM 142 CA LEU A 11 -10.697 0.326 11.819 1.00 0.00 C ATOM 143 C LEU A 11 -12.124 -0.223 12.004 1.00 0.00 C ATOM 144 O LEU A 11 -12.378 -1.394 11.707 1.00 0.00 O ATOM 145 CB LEU A 11 -9.735 -0.246 12.886 1.00 0.00 C ATOM 146 CG LEU A 11 -9.565 -1.790 13.030 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.628 -2.383 13.944 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.562 -2.503 11.677 1.00 0.00 C ATOM 0 H LEU A 11 -10.070 2.158 12.657 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.378 0.014 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.748 0.173 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.058 0.137 13.854 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.589 -1.952 13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.481 -3.460 14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.549 -1.933 14.934 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.616 -2.181 13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.441 -3.575 11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.505 -2.314 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.738 -2.128 11.070 1.00 0.00 H new ATOM 160 N ASN A 12 -13.053 0.628 12.470 1.00 0.00 N ATOM 161 CA ASN A 12 -14.442 0.218 12.676 1.00 0.00 C ATOM 162 C ASN A 12 -15.087 -0.170 11.362 1.00 0.00 C ATOM 163 O ASN A 12 -14.787 0.386 10.305 1.00 0.00 O ATOM 164 CB ASN A 12 -15.263 1.322 13.352 1.00 0.00 C ATOM 165 CG ASN A 12 -14.861 1.591 14.801 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.559 1.624 15.082 1.00 0.00 O flip ATOM 167 ND2 ASN A 12 -15.720 1.786 15.660 1.00 0.00 N flip ATOM 0 H ASN A 12 -12.863 1.601 12.709 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.428 -0.649 13.337 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.157 2.243 12.779 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.317 1.047 13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.708 1.753 15.410 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.444 1.980 16.622 1.00 0.00 H new ATOM 174 N ASP A 13 -15.974 -1.136 11.485 1.00 0.00 N ATOM 175 CA ASP A 13 -16.734 -1.740 10.385 1.00 0.00 C ATOM 176 C ASP A 13 -17.274 -0.743 9.343 1.00 0.00 C ATOM 177 O ASP A 13 -17.371 -1.094 8.169 1.00 0.00 O ATOM 178 CB ASP A 13 -17.866 -2.567 11.001 1.00 0.00 C ATOM 179 CG ASP A 13 -18.665 -3.378 9.990 1.00 0.00 C ATOM 180 OD1 ASP A 13 -18.288 -4.540 9.731 1.00 0.00 O ATOM 181 OD2 ASP A 13 -19.666 -2.850 9.462 1.00 0.00 O ATOM 0 H ASP A 13 -16.202 -1.547 12.390 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.047 -2.364 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.444 -3.245 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.544 -1.898 11.531 1.00 0.00 H new ATOM 186 N GLU A 14 -17.614 0.483 9.756 1.00 0.00 N ATOM 187 CA GLU A 14 -18.126 1.494 8.816 1.00 0.00 C ATOM 188 C GLU A 14 -17.060 1.892 7.802 1.00 0.00 C ATOM 189 O GLU A 14 -17.258 1.780 6.582 1.00 0.00 O ATOM 190 CB GLU A 14 -18.610 2.743 9.564 1.00 0.00 C ATOM 191 CG GLU A 14 -20.019 2.607 10.100 1.00 0.00 C ATOM 192 CD GLU A 14 -20.431 3.778 10.970 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.206 3.714 12.197 1.00 0.00 O ATOM 194 OE2 GLU A 14 -20.978 4.759 10.425 1.00 0.00 O ATOM 0 H GLU A 14 -17.546 0.800 10.723 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.967 1.047 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.931 2.949 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.564 3.601 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.714 2.518 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.096 1.686 10.678 1.00 0.00 H new ATOM 201 N ASP A 15 -15.894 2.259 8.328 1.00 0.00 N ATOM 202 CA ASP A 15 -14.789 2.710 7.504 1.00 0.00 C ATOM 203 C ASP A 15 -14.013 1.531 6.976 1.00 0.00 C ATOM 204 O ASP A 15 -13.381 1.629 5.944 1.00 0.00 O ATOM 205 CB ASP A 15 -13.866 3.618 8.299 1.00 0.00 C ATOM 206 CG ASP A 15 -14.476 4.981 8.569 1.00 0.00 C ATOM 207 OD1 ASP A 15 -13.918 5.988 8.084 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.513 5.041 9.262 1.00 0.00 O ATOM 0 H ASP A 15 -15.695 2.251 9.328 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.198 3.272 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.621 3.140 9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.930 3.745 7.755 1.00 0.00 H new ATOM 213 N LEU A 16 -14.109 0.415 7.697 1.00 0.00 N ATOM 214 CA LEU A 16 -13.434 -0.829 7.344 1.00 0.00 C ATOM 215 C LEU A 16 -14.141 -1.520 6.181 1.00 0.00 C ATOM 216 O LEU A 16 -13.500 -2.211 5.394 1.00 0.00 O ATOM 217 CB LEU A 16 -13.364 -1.722 8.577 1.00 0.00 C ATOM 218 CG LEU A 16 -12.916 -3.173 8.357 1.00 0.00 C ATOM 219 CD1 LEU A 16 -11.423 -3.250 8.095 1.00 0.00 C ATOM 220 CD2 LEU A 16 -13.295 -4.011 9.556 1.00 0.00 C ATOM 0 H LEU A 16 -14.663 0.350 8.551 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.419 -0.615 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.682 -1.261 9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.350 -1.738 9.041 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.424 -3.565 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.133 -4.290 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.180 -2.671 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.882 -2.844 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.975 -5.041 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.807 -3.614 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.376 -3.984 9.692 1.00 0.00 H new ATOM 232 N ASP A 17 -15.466 -1.341 6.104 1.00 0.00 N ATOM 233 CA ASP A 17 -16.267 -1.893 5.010 1.00 0.00 C ATOM 234 C ASP A 17 -16.117 -0.974 3.794 1.00 0.00 C ATOM 235 O ASP A 17 -15.685 -1.405 2.699 1.00 0.00 O ATOM 236 CB ASP A 17 -17.736 -2.008 5.429 1.00 0.00 C ATOM 237 CG ASP A 17 -18.467 -3.127 4.710 1.00 0.00 C ATOM 238 OD1 ASP A 17 -19.035 -2.867 3.629 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.471 -4.263 5.229 1.00 0.00 O ATOM 0 H ASP A 17 -16.006 -0.815 6.791 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.919 -2.895 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.790 -2.177 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.241 -1.063 5.229 1.00 0.00 H new ATOM 244 N PHE A 18 -16.403 0.329 4.013 1.00 0.00 N ATOM 245 CA PHE A 18 -16.257 1.321 2.953 1.00 0.00 C ATOM 246 C PHE A 18 -14.769 1.435 2.553 1.00 0.00 C ATOM 247 O PHE A 18 -14.439 1.995 1.508 1.00 0.00 O ATOM 248 CB PHE A 18 -16.901 2.669 3.349 1.00 0.00 C ATOM 249 CG PHE A 18 -18.412 2.609 3.457 1.00 0.00 C ATOM 250 CD1 PHE A 18 -19.196 2.312 2.346 1.00 0.00 C ATOM 251 CD2 PHE A 18 -19.047 2.848 4.666 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.573 2.252 2.446 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.424 2.790 4.769 1.00 0.00 C ATOM 254 CZ PHE A 18 -21.187 2.491 3.658 1.00 0.00 C ATOM 0 H PHE A 18 -16.731 0.703 4.904 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.803 0.995 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.489 2.992 4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.627 3.424 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.722 2.126 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.457 3.083 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.168 2.018 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.903 2.979 5.718 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.263 2.444 3.738 1.00 0.00 H new ATOM 264 N LEU A 19 -13.887 0.924 3.446 1.00 0.00 N ATOM 265 CA LEU A 19 -12.439 0.824 3.204 1.00 0.00 C ATOM 266 C LEU A 19 -12.140 -0.499 2.473 1.00 0.00 C ATOM 267 O LEU A 19 -11.272 -0.558 1.601 1.00 0.00 O ATOM 268 CB LEU A 19 -11.650 0.808 4.538 1.00 0.00 C ATOM 269 CG LEU A 19 -10.189 1.353 4.567 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.480 1.297 3.213 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.161 2.772 5.117 1.00 0.00 C ATOM 0 H LEU A 19 -14.169 0.569 4.359 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.136 1.687 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.227 1.378 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.622 -0.223 4.890 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.635 0.687 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.470 1.693 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.432 0.263 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.033 1.895 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.134 3.137 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.768 3.420 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.561 2.777 6.131 1.00 0.00 H new ATOM 283 N THR A 20 -12.884 -1.564 2.861 1.00 0.00 N ATOM 284 CA THR A 20 -12.704 -2.917 2.305 1.00 0.00 C ATOM 285 C THR A 20 -13.113 -3.021 0.831 1.00 0.00 C ATOM 286 O THR A 20 -12.775 -4.004 0.165 1.00 0.00 O ATOM 287 CB THR A 20 -13.443 -3.996 3.155 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.736 -5.239 3.074 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.894 -4.224 2.723 1.00 0.00 C ATOM 0 H THR A 20 -13.620 -1.504 3.564 1.00 0.00 H new ATOM 0 HA THR A 20 -11.633 -3.114 2.354 1.00 0.00 H new ATOM 0 HB THR A 20 -13.466 -3.620 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.848 -5.137 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.347 -4.987 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.453 -3.293 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.917 -4.555 1.685 1.00 0.00 H new ATOM 297 N LYS A 21 -13.858 -2.009 0.351 1.00 0.00 N ATOM 298 CA LYS A 21 -14.320 -1.923 -1.063 1.00 0.00 C ATOM 299 C LYS A 21 -13.337 -2.525 -2.094 1.00 0.00 C ATOM 300 O LYS A 21 -13.759 -3.209 -3.031 1.00 0.00 O ATOM 301 CB LYS A 21 -14.587 -0.448 -1.451 1.00 0.00 C ATOM 302 CG LYS A 21 -13.593 0.576 -0.902 1.00 0.00 C ATOM 303 CD LYS A 21 -12.325 0.659 -1.735 1.00 0.00 C ATOM 304 CE LYS A 21 -11.155 1.084 -0.881 1.00 0.00 C ATOM 305 NZ LYS A 21 -9.879 1.114 -1.647 1.00 0.00 N ATOM 0 H LYS A 21 -14.162 -1.223 0.926 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.232 -2.519 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.593 -0.374 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.585 -0.177 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.067 1.557 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.334 0.313 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.118 -0.310 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.465 1.370 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.351 2.073 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.055 0.399 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.172 0.520 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.042 0.750 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.530 2.092 -1.702 1.00 0.00 H new ATOM 319 N TRP A 22 -12.031 -2.261 -1.904 1.00 0.00 N ATOM 320 CA TRP A 22 -10.972 -2.732 -2.813 1.00 0.00 C ATOM 321 C TRP A 22 -9.598 -2.638 -2.121 1.00 0.00 C ATOM 322 O TRP A 22 -9.524 -2.253 -0.952 1.00 0.00 O ATOM 323 CB TRP A 22 -10.999 -1.887 -4.108 1.00 0.00 C ATOM 324 CG TRP A 22 -10.648 -2.648 -5.359 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.676 -2.324 -6.261 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.276 -3.844 -5.862 1.00 0.00 C ATOM 327 NE1 TRP A 22 -9.650 -3.244 -7.281 1.00 0.00 N ATOM 328 CE2 TRP A 22 -10.621 -4.185 -7.059 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.323 -4.661 -5.413 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -10.975 -5.301 -7.812 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.673 -5.768 -6.162 1.00 0.00 C ATOM 332 CH2 TRP A 22 -12.000 -6.080 -7.349 1.00 0.00 C ATOM 0 H TRP A 22 -11.681 -1.715 -1.116 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.147 -3.777 -3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.994 -1.458 -4.226 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.304 -1.054 -3.998 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.022 -1.468 -6.184 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.011 -3.229 -8.076 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.847 -4.429 -4.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.459 -5.543 -8.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.479 -6.403 -5.826 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.296 -6.954 -7.911 1.00 0.00 H new ATOM 343 N THR A 23 -8.516 -2.985 -2.840 1.00 0.00 N ATOM 344 CA THR A 23 -7.159 -2.940 -2.275 1.00 0.00 C ATOM 345 C THR A 23 -6.321 -1.857 -2.945 1.00 0.00 C ATOM 346 O THR A 23 -6.770 -1.228 -3.903 1.00 0.00 O ATOM 347 CB THR A 23 -6.439 -4.298 -2.361 1.00 0.00 C ATOM 348 OG1 THR A 23 -7.336 -5.337 -2.782 1.00 0.00 O ATOM 349 CG2 THR A 23 -5.877 -4.637 -1.002 1.00 0.00 C ATOM 0 H THR A 23 -8.556 -3.298 -3.810 1.00 0.00 H new ATOM 0 HA THR A 23 -7.273 -2.697 -1.219 1.00 0.00 H new ATOM 0 HB THR A 23 -5.639 -4.224 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.852 -6.188 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.364 -5.598 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.172 -3.864 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.689 -4.695 -0.277 1.00 0.00 H new ATOM 357 N ASP A 24 -5.089 -1.668 -2.460 1.00 0.00 N ATOM 358 CA ASP A 24 -4.215 -0.619 -2.974 1.00 0.00 C ATOM 359 C ASP A 24 -3.021 -1.200 -3.736 1.00 0.00 C ATOM 360 O ASP A 24 -2.049 -0.489 -4.020 1.00 0.00 O ATOM 361 CB ASP A 24 -3.731 0.248 -1.809 1.00 0.00 C ATOM 362 CG ASP A 24 -4.855 1.029 -1.148 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.004 2.230 -1.455 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.585 0.437 -0.325 1.00 0.00 O ATOM 0 H ASP A 24 -4.679 -2.229 -1.713 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.783 -0.011 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.250 -0.387 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.975 0.945 -2.171 1.00 0.00 H new ATOM 369 N PHE A 25 -3.112 -2.482 -4.099 1.00 0.00 N ATOM 370 CA PHE A 25 -2.031 -3.151 -4.811 1.00 0.00 C ATOM 371 C PHE A 25 -2.427 -3.425 -6.267 1.00 0.00 C ATOM 372 O PHE A 25 -2.365 -4.543 -6.786 1.00 0.00 O ATOM 373 CB PHE A 25 -1.678 -4.401 -4.007 1.00 0.00 C ATOM 374 CG PHE A 25 -0.437 -5.185 -4.384 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.694 -5.138 -3.582 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.415 -5.998 -5.509 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.820 -5.876 -3.898 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.709 -6.734 -5.831 1.00 0.00 C ATOM 379 CZ PHE A 25 1.828 -6.673 -5.025 1.00 0.00 C ATOM 0 H PHE A 25 -3.922 -3.072 -3.910 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.140 -2.528 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.576 -4.104 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.528 -5.081 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.695 -4.517 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.289 -6.056 -6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.693 -5.829 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.712 -7.357 -6.713 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.708 -7.247 -5.276 1.00 0.00 H new ATOM 389 N LYS A 26 -2.841 -2.337 -6.892 1.00 0.00 N ATOM 390 CA LYS A 26 -3.158 -2.265 -8.308 1.00 0.00 C ATOM 391 C LYS A 26 -2.303 -1.123 -8.850 1.00 0.00 C ATOM 392 O LYS A 26 -2.316 -0.803 -10.042 1.00 0.00 O ATOM 393 CB LYS A 26 -4.684 -2.048 -8.555 1.00 0.00 C ATOM 394 CG LYS A 26 -5.184 -0.587 -8.590 1.00 0.00 C ATOM 395 CD LYS A 26 -5.473 -0.015 -7.197 1.00 0.00 C ATOM 396 CE LYS A 26 -4.197 0.271 -6.406 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.055 1.688 -5.979 1.00 0.00 N ATOM 0 H LYS A 26 -2.970 -1.447 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.936 -3.200 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.945 -2.519 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.233 -2.576 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.437 0.034 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.091 -0.534 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.048 0.905 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.092 -0.718 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.179 -0.367 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.335 -0.002 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.094 2.022 -6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.748 2.274 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.223 1.761 -4.955 1.00 0.00 H new ATOM 411 N CYS A 27 -1.553 -0.529 -7.901 1.00 0.00 N ATOM 412 CA CYS A 27 -0.668 0.576 -8.149 1.00 0.00 C ATOM 413 C CYS A 27 0.740 0.208 -7.712 1.00 0.00 C ATOM 414 O CYS A 27 0.967 -0.220 -6.547 1.00 0.00 O ATOM 415 CB CYS A 27 -1.152 1.818 -7.389 1.00 0.00 C ATOM 416 SG CYS A 27 -0.017 3.227 -7.454 1.00 0.00 S ATOM 0 H CYS A 27 -1.561 -0.827 -6.926 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.663 0.801 -9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.116 2.125 -7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.317 1.549 -6.346 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.547 4.178 -8.164 1.00 0.00 H new ATOM 422 N PHE A 28 1.657 0.361 -8.678 1.00 0.00 N ATOM 423 CA PHE A 28 3.078 0.105 -8.496 1.00 0.00 C ATOM 424 C PHE A 28 3.760 1.390 -8.070 1.00 0.00 C ATOM 425 O PHE A 28 3.672 2.402 -8.766 1.00 0.00 O ATOM 426 CB PHE A 28 3.700 -0.409 -9.806 1.00 0.00 C ATOM 427 CG PHE A 28 3.264 -1.798 -10.202 1.00 0.00 C ATOM 428 CD1 PHE A 28 2.000 -2.024 -10.732 1.00 0.00 C ATOM 429 CD2 PHE A 28 4.123 -2.876 -10.052 1.00 0.00 C ATOM 430 CE1 PHE A 28 1.604 -3.296 -11.100 1.00 0.00 C ATOM 431 CE2 PHE A 28 3.731 -4.150 -10.419 1.00 0.00 C ATOM 432 CZ PHE A 28 2.471 -4.360 -10.942 1.00 0.00 C ATOM 0 H PHE A 28 1.420 0.672 -9.620 1.00 0.00 H new ATOM 0 HA PHE A 28 3.213 -0.657 -7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.445 0.281 -10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.785 -0.397 -9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.318 -1.196 -10.858 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.110 -2.719 -9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.618 -3.458 -11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.410 -4.981 -10.297 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.163 -5.355 -11.227 1.00 0.00 H new ATOM 442 N VAL A 29 4.443 1.350 -6.936 1.00 0.00 N ATOM 443 CA VAL A 29 5.127 2.534 -6.444 1.00 0.00 C ATOM 444 C VAL A 29 6.630 2.455 -6.769 1.00 0.00 C ATOM 445 O VAL A 29 7.268 1.398 -6.644 1.00 0.00 O ATOM 446 CB VAL A 29 4.782 2.790 -4.941 1.00 0.00 C ATOM 447 CG1 VAL A 29 5.908 3.466 -4.159 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.524 3.641 -4.855 1.00 0.00 C ATOM 0 H VAL A 29 4.538 0.523 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 29 4.767 3.422 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 29 4.630 1.813 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.596 3.611 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.798 2.837 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.134 4.433 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.279 3.823 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.693 4.593 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.697 3.118 -5.336 1.00 0.00 H new ATOM 458 N SER A 30 7.155 3.648 -7.105 1.00 0.00 N ATOM 459 CA SER A 30 8.525 3.916 -7.612 1.00 0.00 C ATOM 460 C SER A 30 9.611 2.873 -7.362 1.00 0.00 C ATOM 461 O SER A 30 10.310 2.868 -6.345 1.00 0.00 O ATOM 462 CB SER A 30 8.989 5.294 -7.119 1.00 0.00 C ATOM 463 OG SER A 30 8.699 5.472 -5.742 1.00 0.00 O ATOM 0 H SER A 30 6.607 4.505 -7.027 1.00 0.00 H new ATOM 0 HA SER A 30 8.405 3.872 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.061 5.400 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.499 6.075 -7.700 1.00 0.00 H new ATOM 0 HG SER A 30 9.442 5.127 -5.204 1.00 0.00 H new ATOM 469 N ALA A 31 9.738 2.005 -8.381 1.00 0.00 N ATOM 470 CA ALA A 31 10.754 0.958 -8.447 1.00 0.00 C ATOM 471 C ALA A 31 12.047 1.551 -8.972 1.00 0.00 C ATOM 472 O ALA A 31 13.123 0.981 -8.791 1.00 0.00 O ATOM 473 CB ALA A 31 10.257 -0.158 -9.309 1.00 0.00 C ATOM 0 H ALA A 31 9.122 2.018 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 31 10.952 0.550 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.013 -0.942 -9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.340 -0.566 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.056 0.219 -10.312 1.00 0.00 H new ATOM 479 N SER A 32 11.902 2.696 -9.672 1.00 0.00 N ATOM 480 CA SER A 32 13.020 3.506 -10.161 1.00 0.00 C ATOM 481 C SER A 32 13.659 3.025 -11.475 1.00 0.00 C ATOM 482 O SER A 32 13.591 3.733 -12.484 1.00 0.00 O ATOM 483 CB SER A 32 14.044 3.589 -9.041 1.00 0.00 C ATOM 484 OG SER A 32 14.610 4.885 -8.934 1.00 0.00 O ATOM 0 H SER A 32 10.989 3.083 -9.913 1.00 0.00 H new ATOM 0 HA SER A 32 12.626 4.488 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.571 3.321 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.836 2.861 -9.219 1.00 0.00 H new ATOM 0 HG SER A 32 15.370 4.860 -8.315 1.00 0.00 H new ATOM 490 N ASN A 33 14.271 1.835 -11.463 1.00 0.00 N ATOM 491 CA ASN A 33 14.931 1.280 -12.647 1.00 0.00 C ATOM 492 C ASN A 33 13.946 0.388 -13.371 1.00 0.00 C ATOM 493 O ASN A 33 14.131 0.027 -14.537 1.00 0.00 O ATOM 494 CB ASN A 33 16.181 0.492 -12.251 1.00 0.00 C ATOM 495 CG ASN A 33 17.325 1.392 -11.824 1.00 0.00 C ATOM 496 OD1 ASN A 33 17.461 1.726 -10.648 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.154 1.790 -12.782 1.00 0.00 N ATOM 0 H ASN A 33 14.322 1.235 -10.639 1.00 0.00 H new ATOM 0 HA ASN A 33 15.248 2.090 -13.304 1.00 0.00 H new ATOM 0 HB2 ASN A 33 15.934 -0.188 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.501 -0.122 -13.093 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.942 2.397 -12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.003 1.488 -13.745 1.00 0.00 H new ATOM 504 N MET A 34 12.895 0.051 -12.631 1.00 0.00 N ATOM 505 CA MET A 34 11.805 -0.756 -13.117 1.00 0.00 C ATOM 506 C MET A 34 10.666 0.167 -13.566 1.00 0.00 C ATOM 507 O MET A 34 9.979 -0.102 -14.556 1.00 0.00 O ATOM 508 CB MET A 34 11.329 -1.679 -12.006 1.00 0.00 C ATOM 509 CG MET A 34 10.399 -2.793 -12.466 1.00 0.00 C ATOM 510 SD MET A 34 9.480 -3.547 -11.113 1.00 0.00 S ATOM 511 CE MET A 34 8.041 -2.482 -11.064 1.00 0.00 C ATOM 0 H MET A 34 12.784 0.342 -11.660 1.00 0.00 H new ATOM 0 HA MET A 34 12.131 -1.362 -13.962 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.199 -2.125 -11.524 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.816 -1.083 -11.251 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.696 -2.393 -13.197 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.984 -3.561 -12.973 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.257 -2.957 -10.474 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.310 -1.528 -10.610 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.679 -2.312 -12.078 1.00 0.00 H new ATOM 521 N ARG A 35 10.494 1.258 -12.806 1.00 0.00 N ATOM 522 CA ARG A 35 9.484 2.260 -13.071 1.00 0.00 C ATOM 523 C ARG A 35 10.194 3.582 -13.281 1.00 0.00 C ATOM 524 O ARG A 35 10.951 4.037 -12.417 1.00 0.00 O ATOM 525 CB ARG A 35 8.470 2.313 -11.898 1.00 0.00 C ATOM 526 CG ARG A 35 7.984 3.701 -11.456 1.00 0.00 C ATOM 527 CD ARG A 35 6.994 4.317 -12.434 1.00 0.00 C ATOM 528 NE ARG A 35 5.691 3.638 -12.411 1.00 0.00 N ATOM 529 CZ ARG A 35 5.223 2.850 -13.391 1.00 0.00 C ATOM 530 NH1 ARG A 35 5.935 2.621 -14.493 1.00 0.00 N ATOM 531 NH2 ARG A 35 4.029 2.286 -13.263 1.00 0.00 N ATOM 0 H ARG A 35 11.064 1.460 -11.985 1.00 0.00 H new ATOM 0 HA ARG A 35 8.910 2.020 -13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.598 1.722 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.923 1.823 -11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.517 3.622 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.842 4.364 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.856 5.371 -12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.407 4.272 -13.442 1.00 0.00 H new ATOM 0 HE ARG A 35 5.100 3.776 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.855 3.048 -14.604 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.561 2.019 -15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.474 2.453 -12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.666 1.686 -14.004 1.00 0.00 H new ATOM 545 N ASN A 36 9.915 4.189 -14.428 1.00 0.00 N ATOM 546 CA ASN A 36 10.519 5.465 -14.835 1.00 0.00 C ATOM 547 C ASN A 36 10.090 5.847 -16.268 1.00 0.00 C ATOM 548 O ASN A 36 10.156 7.022 -16.641 1.00 0.00 O ATOM 549 CB ASN A 36 12.070 5.407 -14.735 1.00 0.00 C ATOM 550 CG ASN A 36 12.755 6.731 -15.043 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.094 7.015 -16.192 1.00 0.00 O ATOM 552 ND2 ASN A 36 12.959 7.545 -14.014 1.00 0.00 N ATOM 0 H ASN A 36 9.259 3.812 -15.112 1.00 0.00 H new ATOM 0 HA ASN A 36 10.159 6.233 -14.150 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.348 5.090 -13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.441 4.648 -15.423 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.413 8.447 -14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.661 7.269 -13.078 1.00 0.00 H new ATOM 559 N ALA A 37 9.652 4.847 -17.061 1.00 0.00 N ATOM 560 CA ALA A 37 9.233 5.064 -18.453 1.00 0.00 C ATOM 561 C ALA A 37 7.811 5.641 -18.571 1.00 0.00 C ATOM 562 O ALA A 37 7.644 6.754 -19.080 1.00 0.00 O ATOM 563 CB ALA A 37 9.358 3.766 -19.245 1.00 0.00 C ATOM 0 H ALA A 37 9.581 3.877 -16.754 1.00 0.00 H new ATOM 0 HA ALA A 37 9.902 5.813 -18.875 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.045 3.937 -20.275 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.395 3.430 -19.231 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.723 3.003 -18.795 1.00 0.00 H new ATOM 569 N ALA A 38 6.793 4.892 -18.105 1.00 0.00 N ATOM 570 CA ALA A 38 5.401 5.354 -18.183 1.00 0.00 C ATOM 571 C ALA A 38 4.978 6.074 -16.903 1.00 0.00 C ATOM 572 O ALA A 38 4.452 7.189 -16.964 1.00 0.00 O ATOM 573 CB ALA A 38 4.472 4.183 -18.478 1.00 0.00 C ATOM 0 H ALA A 38 6.910 3.974 -17.675 1.00 0.00 H new ATOM 0 HA ALA A 38 5.329 6.072 -19.000 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.443 4.540 -18.533 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.750 3.729 -19.429 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.557 3.442 -17.683 1.00 0.00 H new ATOM 579 N GLY A 39 5.208 5.431 -15.745 1.00 0.00 N ATOM 580 CA GLY A 39 4.889 6.030 -14.457 1.00 0.00 C ATOM 581 C GLY A 39 3.411 6.216 -14.198 1.00 0.00 C ATOM 582 O GLY A 39 3.033 7.050 -13.368 1.00 0.00 O ATOM 0 H GLY A 39 5.614 4.497 -15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.307 5.406 -13.667 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.381 7.000 -14.391 1.00 0.00 H new ATOM 586 N GLN A 40 2.570 5.454 -14.903 1.00 0.00 N ATOM 587 CA GLN A 40 1.135 5.548 -14.706 1.00 0.00 C ATOM 588 C GLN A 40 0.700 4.595 -13.605 1.00 0.00 C ATOM 589 O GLN A 40 0.259 3.462 -13.837 1.00 0.00 O ATOM 590 CB GLN A 40 0.381 5.312 -16.007 1.00 0.00 C ATOM 591 CG GLN A 40 -0.102 6.611 -16.634 1.00 0.00 C ATOM 592 CD GLN A 40 -1.089 6.421 -17.783 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.986 5.442 -17.666 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -1.059 7.169 -18.761 1.00 0.00 N flip ATOM 0 H GLN A 40 2.861 4.775 -15.606 1.00 0.00 H new ATOM 0 HA GLN A 40 0.887 6.561 -14.388 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.029 4.789 -16.711 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.473 4.662 -15.817 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.572 7.221 -15.863 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.761 7.168 -16.999 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.358 7.908 -18.817 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.735 7.050 -19.515 1.00 0.00 H new ATOM 603 N PHE A 41 0.876 5.102 -12.396 1.00 0.00 N ATOM 604 CA PHE A 41 0.557 4.399 -11.165 1.00 0.00 C ATOM 605 C PHE A 41 -0.201 5.335 -10.217 1.00 0.00 C ATOM 606 O PHE A 41 -1.105 4.911 -9.481 1.00 0.00 O ATOM 607 CB PHE A 41 1.862 3.875 -10.533 1.00 0.00 C ATOM 608 CG PHE A 41 2.806 4.944 -10.027 1.00 0.00 C ATOM 609 CD1 PHE A 41 3.720 5.542 -10.880 1.00 0.00 C ATOM 610 CD2 PHE A 41 2.775 5.343 -8.699 1.00 0.00 C ATOM 611 CE1 PHE A 41 4.585 6.516 -10.419 1.00 0.00 C ATOM 612 CE2 PHE A 41 3.638 6.317 -8.233 1.00 0.00 C ATOM 613 CZ PHE A 41 4.544 6.905 -9.094 1.00 0.00 C ATOM 0 H PHE A 41 1.254 6.036 -12.240 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.089 3.546 -11.370 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.606 3.216 -9.703 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.387 3.269 -11.271 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.757 5.243 -11.917 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.068 4.887 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.293 6.973 -11.094 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.604 6.618 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.219 7.667 -8.732 1.00 0.00 H new ATOM 623 N ILE A 42 0.174 6.630 -10.268 1.00 0.00 N ATOM 624 CA ILE A 42 -0.450 7.683 -9.454 1.00 0.00 C ATOM 625 C ILE A 42 -1.964 7.770 -9.692 1.00 0.00 C ATOM 626 O ILE A 42 -2.696 8.305 -8.853 1.00 0.00 O ATOM 627 CB ILE A 42 0.199 9.083 -9.692 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.431 9.384 -11.189 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.512 9.188 -8.931 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.735 10.078 -11.864 1.00 0.00 C ATOM 0 H ILE A 42 0.919 6.971 -10.876 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.274 7.398 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.504 9.828 -9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.320 10.007 -11.291 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.635 8.449 -11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.956 10.168 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.326 9.057 -7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.196 8.414 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.496 10.255 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.622 9.448 -11.796 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.927 11.030 -11.370 1.00 0.00 H new ATOM 642 N GLU A 43 -2.425 7.234 -10.844 1.00 0.00 N ATOM 643 CA GLU A 43 -3.850 7.222 -11.178 1.00 0.00 C ATOM 644 C GLU A 43 -4.630 6.389 -10.154 1.00 0.00 C ATOM 645 O GLU A 43 -5.497 6.926 -9.447 1.00 0.00 O ATOM 646 CB GLU A 43 -4.067 6.682 -12.602 1.00 0.00 C ATOM 647 CG GLU A 43 -4.525 7.742 -13.590 1.00 0.00 C ATOM 648 CD GLU A 43 -4.680 7.198 -14.997 1.00 0.00 C ATOM 649 OE1 GLU A 43 -5.789 6.734 -15.335 1.00 0.00 O ATOM 650 OE2 GLU A 43 -3.692 7.238 -15.761 1.00 0.00 O ATOM 0 H GLU A 43 -1.826 6.807 -11.550 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.224 8.245 -11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.137 6.241 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.807 5.883 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.477 8.157 -13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.806 8.561 -13.598 1.00 0.00 H new ATOM 657 N ALA A 44 -4.305 5.082 -10.047 1.00 0.00 N ATOM 658 CA ALA A 44 -4.965 4.206 -9.077 1.00 0.00 C ATOM 659 C ALA A 44 -4.581 4.567 -7.640 1.00 0.00 C ATOM 660 O ALA A 44 -5.381 4.378 -6.720 1.00 0.00 O ATOM 661 CB ALA A 44 -4.626 2.756 -9.350 1.00 0.00 C ATOM 0 H ALA A 44 -3.596 4.622 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.040 4.350 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.126 2.121 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.960 2.487 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.548 2.614 -9.276 1.00 0.00 H new ATOM 667 N ALA A 45 -3.348 5.082 -7.453 1.00 0.00 N ATOM 668 CA ALA A 45 -2.872 5.496 -6.123 1.00 0.00 C ATOM 669 C ALA A 45 -3.746 6.622 -5.559 1.00 0.00 C ATOM 670 O ALA A 45 -4.110 6.609 -4.376 1.00 0.00 O ATOM 671 CB ALA A 45 -1.417 5.939 -6.186 1.00 0.00 C ATOM 0 H ALA A 45 -2.670 5.219 -8.203 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.944 4.636 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.085 6.241 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.800 5.113 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.322 6.781 -6.872 1.00 0.00 H new ATOM 677 N TYR A 46 -4.104 7.575 -6.440 1.00 0.00 N ATOM 678 CA TYR A 46 -4.954 8.711 -6.073 1.00 0.00 C ATOM 679 C TYR A 46 -6.407 8.255 -5.903 1.00 0.00 C ATOM 680 O TYR A 46 -7.106 8.707 -4.991 1.00 0.00 O ATOM 681 CB TYR A 46 -4.867 9.800 -7.146 1.00 0.00 C ATOM 682 CG TYR A 46 -5.049 11.204 -6.609 1.00 0.00 C ATOM 683 CD1 TYR A 46 -6.310 11.781 -6.536 1.00 0.00 C ATOM 684 CD2 TYR A 46 -3.959 11.949 -6.177 1.00 0.00 C ATOM 685 CE1 TYR A 46 -6.480 13.063 -6.047 1.00 0.00 C ATOM 686 CE2 TYR A 46 -4.122 13.231 -5.686 1.00 0.00 C ATOM 687 CZ TYR A 46 -5.384 13.783 -5.623 1.00 0.00 C ATOM 688 OH TYR A 46 -5.549 15.059 -5.136 1.00 0.00 O ATOM 0 H TYR A 46 -3.812 7.575 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.603 9.119 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.898 9.733 -7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.626 9.610 -7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.171 11.220 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.969 11.520 -6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.467 13.498 -5.998 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.265 13.798 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.678 15.426 -4.879 1.00 0.00 H new ATOM 698 N ALA A 47 -6.838 7.335 -6.785 1.00 0.00 N ATOM 699 CA ALA A 47 -8.198 6.783 -6.753 1.00 0.00 C ATOM 700 C ALA A 47 -8.457 5.964 -5.485 1.00 0.00 C ATOM 701 O ALA A 47 -9.517 6.098 -4.862 1.00 0.00 O ATOM 702 CB ALA A 47 -8.435 5.927 -7.985 1.00 0.00 C ATOM 0 H ALA A 47 -6.256 6.958 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.895 7.621 -6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.446 5.520 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.315 6.537 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.715 5.109 -8.004 1.00 0.00 H new ATOM 708 N LYS A 48 -7.477 5.125 -5.099 1.00 0.00 N ATOM 709 CA LYS A 48 -7.604 4.293 -3.897 1.00 0.00 C ATOM 710 C LYS A 48 -7.447 5.129 -2.640 1.00 0.00 C ATOM 711 O LYS A 48 -8.142 4.892 -1.652 1.00 0.00 O ATOM 712 CB LYS A 48 -6.622 3.122 -3.911 1.00 0.00 C ATOM 713 CG LYS A 48 -6.965 2.050 -4.947 1.00 0.00 C ATOM 714 CD LYS A 48 -8.197 1.208 -4.582 1.00 0.00 C ATOM 715 CE LYS A 48 -9.509 1.772 -5.148 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.319 2.556 -6.406 1.00 0.00 N ATOM 0 H LYS A 48 -6.597 5.009 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.608 3.869 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.620 3.501 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.599 2.666 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.137 2.530 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.107 1.388 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.057 0.192 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.276 1.144 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.197 0.949 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.977 2.409 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.247 2.808 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.784 3.423 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.793 1.983 -7.096 1.00 0.00 H new ATOM 730 N ALA A 49 -6.514 6.098 -2.676 1.00 0.00 N ATOM 731 CA ALA A 49 -6.337 7.042 -1.560 1.00 0.00 C ATOM 732 C ALA A 49 -7.671 7.763 -1.308 1.00 0.00 C ATOM 733 O ALA A 49 -8.104 7.944 -0.158 1.00 0.00 O ATOM 734 CB ALA A 49 -5.230 8.041 -1.873 1.00 0.00 C ATOM 0 H ALA A 49 -5.877 6.246 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.043 6.499 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.114 8.730 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.294 7.507 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.489 8.601 -2.771 1.00 0.00 H new ATOM 740 N LEU A 50 -8.342 8.113 -2.424 1.00 0.00 N ATOM 741 CA LEU A 50 -9.651 8.761 -2.390 1.00 0.00 C ATOM 742 C LEU A 50 -10.727 7.772 -1.919 1.00 0.00 C ATOM 743 O LEU A 50 -11.681 8.172 -1.250 1.00 0.00 O ATOM 744 CB LEU A 50 -10.008 9.335 -3.779 1.00 0.00 C ATOM 745 CG LEU A 50 -9.745 10.846 -4.021 1.00 0.00 C ATOM 746 CD1 LEU A 50 -10.685 11.720 -3.194 1.00 0.00 C ATOM 747 CD2 LEU A 50 -8.288 11.223 -3.749 1.00 0.00 C ATOM 0 H LEU A 50 -7.986 7.951 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.610 9.587 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.451 8.773 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.066 9.145 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.947 11.032 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.471 12.771 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.718 11.503 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.538 11.511 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.148 12.289 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.041 10.996 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.635 10.653 -4.410 1.00 0.00 H new ATOM 759 N ARG A 51 -10.566 6.471 -2.268 1.00 0.00 N ATOM 760 CA ARG A 51 -11.515 5.436 -1.819 1.00 0.00 C ATOM 761 C ARG A 51 -11.324 5.162 -0.323 1.00 0.00 C ATOM 762 O ARG A 51 -12.271 4.795 0.379 1.00 0.00 O ATOM 763 CB ARG A 51 -11.406 4.134 -2.623 1.00 0.00 C ATOM 764 CG ARG A 51 -11.941 4.246 -4.056 1.00 0.00 C ATOM 765 CD ARG A 51 -12.721 3.001 -4.517 1.00 0.00 C ATOM 766 NE ARG A 51 -13.806 2.595 -3.613 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.039 2.225 -4.008 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.378 2.205 -5.293 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.942 1.884 -3.099 1.00 0.00 N ATOM 0 H ARG A 51 -9.802 6.124 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.518 5.825 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.361 3.826 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.953 3.349 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.590 5.119 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.106 4.414 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.141 3.195 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.024 2.170 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.611 2.593 -2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.698 2.474 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.318 1.921 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.701 1.903 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.878 1.603 -3.391 1.00 0.00 H new ATOM 783 N ILE A 52 -10.082 5.349 0.162 1.00 0.00 N ATOM 784 CA ILE A 52 -9.775 5.212 1.592 1.00 0.00 C ATOM 785 C ILE A 52 -10.445 6.395 2.303 1.00 0.00 C ATOM 786 O ILE A 52 -10.879 6.290 3.454 1.00 0.00 O ATOM 787 CB ILE A 52 -8.237 5.177 1.870 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.612 3.936 1.212 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.934 5.171 3.373 1.00 0.00 C ATOM 790 CD1 ILE A 52 -6.226 4.167 0.645 1.00 0.00 C ATOM 0 H ILE A 52 -9.279 5.595 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.156 4.262 1.967 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.802 6.080 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.562 3.134 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.268 3.594 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.855 5.146 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.345 6.071 3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.386 4.292 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.857 3.243 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.270 4.945 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.553 4.479 1.444 1.00 0.00 H new ATOM 802 N GLU A 53 -10.508 7.522 1.569 1.00 0.00 N ATOM 803 CA GLU A 53 -11.187 8.735 2.025 1.00 0.00 C ATOM 804 C GLU A 53 -12.697 8.611 1.783 1.00 0.00 C ATOM 805 O GLU A 53 -13.466 9.410 2.303 1.00 0.00 O ATOM 806 CB GLU A 53 -10.617 9.975 1.319 1.00 0.00 C ATOM 807 CG GLU A 53 -10.705 11.262 2.137 1.00 0.00 C ATOM 808 CD GLU A 53 -9.609 11.377 3.182 1.00 0.00 C ATOM 809 OE1 GLU A 53 -8.548 11.956 2.868 1.00 0.00 O ATOM 810 OE2 GLU A 53 -9.814 10.889 4.313 1.00 0.00 O ATOM 0 H GLU A 53 -10.087 7.610 0.644 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.015 8.854 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.573 9.788 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.149 10.119 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.649 12.118 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.676 11.307 2.630 1.00 0.00 H new ATOM 817 N LEU A 54 -13.112 7.654 0.927 1.00 0.00 N ATOM 818 CA LEU A 54 -14.535 7.398 0.710 1.00 0.00 C ATOM 819 C LEU A 54 -15.051 6.512 1.831 1.00 0.00 C ATOM 820 O LEU A 54 -16.232 6.544 2.181 1.00 0.00 O ATOM 821 CB LEU A 54 -14.831 6.795 -0.691 1.00 0.00 C ATOM 822 CG LEU A 54 -14.786 5.244 -0.911 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.751 4.456 -0.019 1.00 0.00 C ATOM 824 CD2 LEU A 54 -15.129 4.930 -2.346 1.00 0.00 C ATOM 0 H LEU A 54 -12.485 7.058 0.386 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.065 8.350 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.825 7.134 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.123 7.241 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.773 4.938 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.658 3.391 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.509 4.638 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.774 4.778 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.098 3.851 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.130 5.300 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.408 5.412 -3.006 1.00 0.00 H new ATOM 836 N ALA A 55 -14.124 5.699 2.354 1.00 0.00 N ATOM 837 CA ALA A 55 -14.370 4.784 3.481 1.00 0.00 C ATOM 838 C ALA A 55 -15.000 5.505 4.671 1.00 0.00 C ATOM 839 O ALA A 55 -15.524 4.889 5.602 1.00 0.00 O ATOM 840 CB ALA A 55 -13.072 4.126 3.902 1.00 0.00 C ATOM 0 H ALA A 55 -13.167 5.656 2.002 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.075 4.024 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.260 3.450 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.661 3.563 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.359 4.891 4.209 1.00 0.00 H new ATOM 846 N GLN A 56 -14.930 6.819 4.586 1.00 0.00 N ATOM 847 CA GLN A 56 -15.465 7.731 5.577 1.00 0.00 C ATOM 848 C GLN A 56 -16.797 8.298 5.132 1.00 0.00 C ATOM 849 O GLN A 56 -17.160 9.419 5.494 1.00 0.00 O ATOM 850 CB GLN A 56 -14.422 8.815 5.940 1.00 0.00 C ATOM 851 CG GLN A 56 -14.069 9.775 4.820 1.00 0.00 C ATOM 852 CD GLN A 56 -13.434 11.056 5.327 1.00 0.00 C ATOM 853 OE1 GLN A 56 -12.211 11.159 5.422 1.00 0.00 O ATOM 854 NE2 GLN A 56 -14.263 12.037 5.665 1.00 0.00 N ATOM 0 H GLN A 56 -14.486 7.296 3.801 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.667 7.180 6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.800 9.391 6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.510 8.321 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.385 9.284 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.971 10.019 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.270 11.909 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.892 12.919 6.019 1.00 0.00 H new ATOM 863 N LEU A 57 -17.516 7.493 4.332 1.00 0.00 N ATOM 864 CA LEU A 57 -18.835 7.848 3.835 1.00 0.00 C ATOM 865 C LEU A 57 -19.776 8.106 4.983 1.00 0.00 C ATOM 866 O LEU A 57 -20.549 7.245 5.428 1.00 0.00 O ATOM 867 CB LEU A 57 -19.409 6.769 2.898 1.00 0.00 C ATOM 868 CG LEU A 57 -20.929 6.872 2.590 1.00 0.00 C ATOM 869 CD1 LEU A 57 -21.235 7.946 1.556 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.485 5.526 2.151 1.00 0.00 C ATOM 0 H LEU A 57 -17.190 6.579 4.017 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.729 8.762 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.864 6.808 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.213 5.792 3.339 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.423 7.167 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.309 7.980 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.899 8.914 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.717 7.714 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.550 5.623 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.967 5.194 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.337 4.795 2.946 1.00 0.00 H new ATOM 882 N VAL A 58 -19.631 9.301 5.486 1.00 0.00 N ATOM 883 CA VAL A 58 -20.484 9.803 6.508 1.00 0.00 C ATOM 884 C VAL A 58 -21.688 10.348 5.746 1.00 0.00 C ATOM 885 O VAL A 58 -22.786 10.496 6.288 1.00 0.00 O ATOM 886 CB VAL A 58 -19.765 10.895 7.350 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.688 11.520 8.397 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.523 10.319 8.028 1.00 0.00 C ATOM 0 H VAL A 58 -18.907 9.955 5.189 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.777 9.045 7.234 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.467 11.684 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.141 12.276 8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.541 11.983 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.042 10.746 9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.033 11.098 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.814 9.500 8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.834 9.947 7.270 1.00 0.00 H new ATOM 898 N GLN A 59 -21.421 10.644 4.443 1.00 0.00 N ATOM 899 CA GLN A 59 -22.461 11.148 3.524 1.00 0.00 C ATOM 900 C GLN A 59 -22.106 11.079 2.021 1.00 0.00 C ATOM 901 O GLN A 59 -22.869 10.501 1.241 1.00 0.00 O ATOM 902 CB GLN A 59 -22.838 12.601 3.886 1.00 0.00 C ATOM 903 CG GLN A 59 -21.627 13.470 4.254 1.00 0.00 C ATOM 904 CD GLN A 59 -21.653 14.871 3.647 1.00 0.00 C ATOM 905 OE1 GLN A 59 -20.606 15.423 3.307 1.00 0.00 O ATOM 906 NE2 GLN A 59 -22.839 15.468 3.530 1.00 0.00 N ATOM 0 H GLN A 59 -20.500 10.541 4.016 1.00 0.00 H new ATOM 0 HA GLN A 59 -23.303 10.470 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -23.359 13.055 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -23.536 12.590 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -21.573 13.558 5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.718 12.963 3.930 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -23.686 14.981 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.899 16.412 3.149 1.00 0.00 H new ATOM 915 N VAL A 60 -20.966 11.669 1.618 1.00 0.00 N ATOM 916 CA VAL A 60 -20.573 11.714 0.188 1.00 0.00 C ATOM 917 C VAL A 60 -19.228 11.056 -0.125 1.00 0.00 C ATOM 918 O VAL A 60 -18.931 10.720 -1.291 1.00 0.00 O ATOM 919 CB VAL A 60 -20.544 13.166 -0.360 1.00 0.00 C ATOM 920 CG1 VAL A 60 -21.947 13.625 -0.724 1.00 0.00 C ATOM 921 CG2 VAL A 60 -19.900 14.151 0.622 1.00 0.00 C ATOM 0 H VAL A 60 -20.304 12.118 2.251 1.00 0.00 H new ATOM 0 HA VAL A 60 -21.349 11.132 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 60 -19.924 13.155 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.908 14.645 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.358 12.966 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.581 13.593 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.905 15.152 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.464 14.156 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.872 13.847 0.821 1.00 0.00 H new ATOM 931 N ASP A 61 -18.410 10.881 0.909 1.00 0.00 N ATOM 932 CA ASP A 61 -17.055 10.341 0.748 1.00 0.00 C ATOM 933 C ASP A 61 -17.024 9.136 -0.201 1.00 0.00 C ATOM 934 O ASP A 61 -16.253 9.136 -1.180 1.00 0.00 O ATOM 935 CB ASP A 61 -16.434 10.013 2.113 1.00 0.00 C ATOM 936 CG ASP A 61 -16.671 11.114 3.135 1.00 0.00 C ATOM 937 OD1 ASP A 61 -17.787 11.178 3.691 1.00 0.00 O ATOM 938 OD2 ASP A 61 -15.743 11.915 3.368 1.00 0.00 O ATOM 0 H ASP A 61 -18.659 11.105 1.872 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.444 11.114 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.854 9.078 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.362 9.856 1.994 1.00 0.00 H new ATOM 943 N LYS A 62 -17.881 8.131 0.063 1.00 0.00 N ATOM 944 CA LYS A 62 -17.975 6.920 -0.802 1.00 0.00 C ATOM 945 C LYS A 62 -18.122 7.279 -2.297 1.00 0.00 C ATOM 946 O LYS A 62 -17.516 6.632 -3.162 1.00 0.00 O ATOM 947 CB LYS A 62 -19.147 6.019 -0.363 1.00 0.00 C ATOM 948 CG LYS A 62 -19.849 5.249 -1.493 1.00 0.00 C ATOM 949 CD LYS A 62 -21.344 5.573 -1.569 1.00 0.00 C ATOM 950 CE LYS A 62 -21.633 6.929 -2.213 1.00 0.00 C ATOM 951 NZ LYS A 62 -22.467 6.795 -3.440 1.00 0.00 N ATOM 0 H LYS A 62 -18.517 8.125 0.860 1.00 0.00 H new ATOM 0 HA LYS A 62 -17.038 6.376 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.776 5.300 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.887 6.637 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.377 5.493 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.718 4.178 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.850 4.793 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.764 5.558 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.144 7.570 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.693 7.419 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.640 7.736 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.969 6.204 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.375 6.351 -3.196 1.00 0.00 H new ATOM 965 N VAL A 63 -18.913 8.325 -2.584 1.00 0.00 N ATOM 966 CA VAL A 63 -19.166 8.754 -3.963 1.00 0.00 C ATOM 967 C VAL A 63 -17.897 9.338 -4.604 1.00 0.00 C ATOM 968 O VAL A 63 -17.602 9.062 -5.783 1.00 0.00 O ATOM 969 CB VAL A 63 -20.384 9.734 -4.042 1.00 0.00 C ATOM 970 CG1 VAL A 63 -20.032 11.180 -3.707 1.00 0.00 C ATOM 971 CG2 VAL A 63 -21.069 9.645 -5.401 1.00 0.00 C ATOM 0 H VAL A 63 -19.387 8.887 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.437 7.874 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.080 9.406 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.926 11.799 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.639 11.233 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.279 11.543 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.912 10.336 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.358 9.907 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.428 8.628 -5.562 1.00 0.00 H new ATOM 981 N ARG A 64 -17.125 10.112 -3.812 1.00 0.00 N ATOM 982 CA ARG A 64 -15.864 10.699 -4.349 1.00 0.00 C ATOM 983 C ARG A 64 -14.877 9.597 -4.719 1.00 0.00 C ATOM 984 O ARG A 64 -14.285 9.618 -5.809 1.00 0.00 O ATOM 985 CB ARG A 64 -15.140 11.707 -3.416 1.00 0.00 C ATOM 986 CG ARG A 64 -15.712 11.886 -2.022 1.00 0.00 C ATOM 987 CD ARG A 64 -17.000 12.680 -2.056 1.00 0.00 C ATOM 988 NE ARG A 64 -16.804 14.078 -2.471 1.00 0.00 N ATOM 989 CZ ARG A 64 -17.765 14.869 -2.971 1.00 0.00 C ATOM 990 NH1 ARG A 64 -19.010 14.423 -3.133 1.00 0.00 N ATOM 991 NH2 ARG A 64 -17.474 16.117 -3.311 1.00 0.00 N ATOM 0 H ARG A 64 -17.333 10.342 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.189 11.266 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.101 11.393 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.134 12.680 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.895 10.910 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.984 12.395 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.699 12.199 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -17.458 12.661 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.869 14.474 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.246 13.465 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.727 15.040 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.524 16.470 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.200 16.724 -3.692 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.727 8.615 -3.813 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.814 7.505 -4.057 1.00 0.00 C ATOM 1007 C GLY A 65 -14.228 6.611 -5.216 1.00 0.00 C ATOM 1008 O GLY A 65 -13.364 6.136 -5.957 1.00 0.00 O ATOM 0 H GLY A 65 -15.221 8.574 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.819 7.903 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.742 6.901 -3.153 1.00 0.00 H new ATOM 1012 N THR A 66 -15.546 6.385 -5.386 1.00 0.00 N ATOM 1013 CA THR A 66 -16.038 5.539 -6.486 1.00 0.00 C ATOM 1014 C THR A 66 -15.769 6.198 -7.858 1.00 0.00 C ATOM 1015 O THR A 66 -15.297 5.533 -8.798 1.00 0.00 O ATOM 1016 CB THR A 66 -17.542 5.156 -6.313 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.872 4.082 -7.201 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.496 6.318 -6.569 1.00 0.00 C ATOM 0 H THR A 66 -16.276 6.770 -4.786 1.00 0.00 H new ATOM 0 HA THR A 66 -15.476 4.606 -6.449 1.00 0.00 H new ATOM 0 HB THR A 66 -17.666 4.858 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.816 3.843 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.524 5.982 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.282 7.126 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.365 6.678 -7.590 1.00 0.00 H new ATOM 1026 N LEU A 67 -16.032 7.522 -7.945 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.797 8.287 -9.183 1.00 0.00 C ATOM 1028 C LEU A 67 -14.293 8.361 -9.499 1.00 0.00 C ATOM 1029 O LEU A 67 -13.889 8.292 -10.667 1.00 0.00 O ATOM 1030 CB LEU A 67 -16.387 9.701 -9.055 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.695 10.421 -10.377 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -18.079 10.046 -10.894 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -16.585 11.928 -10.198 1.00 0.00 C ATOM 0 H LEU A 67 -16.405 8.077 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.295 7.773 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.307 9.639 -8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.690 10.314 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.960 10.102 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -18.272 10.569 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.125 8.970 -11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.831 10.330 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.806 12.424 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.296 12.257 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.574 12.184 -9.882 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.475 8.480 -8.437 1.00 0.00 N ATOM 1046 CA ALA A 68 -12.012 8.528 -8.562 1.00 0.00 C ATOM 1047 C ALA A 68 -11.483 7.157 -8.982 1.00 0.00 C ATOM 1048 O ALA A 68 -10.569 7.043 -9.813 1.00 0.00 O ATOM 1049 CB ALA A 68 -11.377 8.959 -7.246 1.00 0.00 C ATOM 0 H ALA A 68 -13.810 8.545 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.748 9.260 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.293 8.989 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.741 9.950 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.642 8.247 -6.464 1.00 0.00 H new ATOM 1055 N LYS A 69 -12.114 6.114 -8.415 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.784 4.728 -8.695 1.00 0.00 C ATOM 1057 C LYS A 69 -11.926 4.433 -10.176 1.00 0.00 C ATOM 1058 O LYS A 69 -11.024 3.864 -10.761 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.662 3.815 -7.844 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.177 2.585 -8.570 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.571 1.298 -8.026 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.511 0.576 -7.068 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.212 -0.880 -6.987 1.00 0.00 N ATOM 0 H LYS A 69 -12.874 6.223 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.743 4.540 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.093 3.495 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.513 4.388 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.262 2.540 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.949 2.671 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.323 0.636 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.638 1.527 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.428 1.019 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.541 0.717 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.010 -1.374 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.065 -1.258 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.352 -1.027 -6.421 1.00 0.00 H new ATOM 1077 N LEU A 70 -13.066 4.822 -10.762 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.304 4.632 -12.196 1.00 0.00 C ATOM 1079 C LEU A 70 -12.304 5.490 -12.999 1.00 0.00 C ATOM 1080 O LEU A 70 -11.644 4.995 -13.949 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.782 4.967 -12.502 1.00 0.00 C ATOM 1082 CG LEU A 70 -15.100 5.617 -13.860 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.433 5.113 -14.393 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -15.122 7.133 -13.727 1.00 0.00 C ATOM 0 H LEU A 70 -13.836 5.269 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.137 3.597 -12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.358 4.044 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.145 5.632 -11.718 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.319 5.340 -14.568 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.642 5.583 -15.354 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.388 4.031 -14.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.225 5.363 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.348 7.580 -14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.886 7.424 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.148 7.482 -13.385 1.00 0.00 H new ATOM 1096 N GLU A 71 -12.148 6.758 -12.537 1.00 0.00 N ATOM 1097 CA GLU A 71 -11.239 7.745 -13.153 1.00 0.00 C ATOM 1098 C GLU A 71 -9.868 7.121 -13.438 1.00 0.00 C ATOM 1099 O GLU A 71 -9.264 7.370 -14.486 1.00 0.00 O ATOM 1100 CB GLU A 71 -11.146 8.993 -12.231 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.774 9.293 -11.603 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.879 10.116 -12.511 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -8.065 9.518 -13.244 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.993 11.360 -12.487 1.00 0.00 O ATOM 0 H GLU A 71 -12.651 7.119 -11.727 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.635 8.064 -14.117 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.453 9.865 -12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.870 8.874 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.918 9.826 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.276 8.354 -11.364 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.404 6.314 -12.482 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.139 5.609 -12.610 1.00 0.00 C ATOM 1113 C ALA A 72 -8.338 4.237 -13.245 1.00 0.00 C ATOM 1114 O ALA A 72 -7.637 3.884 -14.180 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.489 5.463 -11.253 1.00 0.00 C ATOM 0 H ALA A 72 -9.894 6.135 -11.606 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.487 6.193 -13.260 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.542 4.934 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.308 6.450 -10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.148 4.899 -10.593 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.350 3.502 -12.769 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.681 2.134 -13.235 1.00 0.00 C ATOM 1123 C PHE A 73 -9.864 2.033 -14.758 1.00 0.00 C ATOM 1124 O PHE A 73 -10.086 0.939 -15.290 1.00 0.00 O ATOM 1125 CB PHE A 73 -10.964 1.667 -12.523 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.817 0.487 -11.585 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -11.769 -0.521 -11.587 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -9.758 0.396 -10.685 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -11.670 -1.591 -10.721 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -9.654 -0.677 -9.820 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.611 -1.671 -9.838 1.00 0.00 C ATOM 0 H PHE A 73 -9.976 3.839 -12.038 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.836 1.492 -12.987 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.366 2.507 -11.956 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.703 1.411 -13.282 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.599 -0.468 -12.276 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.009 1.174 -10.663 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.421 -2.367 -10.734 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.825 -0.737 -9.131 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.532 -2.510 -9.163 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.771 3.185 -15.439 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.890 3.277 -16.901 1.00 0.00 C ATOM 1143 C ALA A 74 -9.179 2.160 -17.705 1.00 0.00 C ATOM 1144 O ALA A 74 -9.872 1.367 -18.351 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.414 4.649 -17.367 1.00 0.00 C ATOM 0 H ALA A 74 -9.610 4.085 -14.987 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.950 3.133 -17.113 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.503 4.716 -18.451 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.026 5.423 -16.904 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.372 4.790 -17.079 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.830 2.073 -17.686 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.147 1.030 -18.481 1.00 0.00 C ATOM 1153 C ASP A 75 -6.000 0.307 -17.773 1.00 0.00 C ATOM 1154 O ASP A 75 -6.101 -0.891 -17.494 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.662 1.607 -19.824 1.00 0.00 C ATOM 1156 CG ASP A 75 -7.805 1.933 -20.767 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -8.306 3.076 -20.720 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -8.199 1.045 -21.552 1.00 0.00 O ATOM 0 H ASP A 75 -7.214 2.686 -17.152 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.906 0.265 -18.643 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.081 2.510 -19.638 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.994 0.891 -20.303 1.00 0.00 H new ATOM 1163 N THR A 76 -4.926 1.034 -17.488 1.00 0.00 N ATOM 1164 CA THR A 76 -3.723 0.449 -16.875 1.00 0.00 C ATOM 1165 C THR A 76 -3.709 0.737 -15.380 1.00 0.00 C ATOM 1166 O THR A 76 -2.658 0.912 -14.751 1.00 0.00 O ATOM 1167 CB THR A 76 -2.443 0.994 -17.564 1.00 0.00 C ATOM 1168 OG1 THR A 76 -2.652 1.093 -18.979 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.232 0.099 -17.305 1.00 0.00 C ATOM 0 H THR A 76 -4.857 2.035 -17.670 1.00 0.00 H new ATOM 0 HA THR A 76 -3.742 -0.632 -17.015 1.00 0.00 H new ATOM 0 HB THR A 76 -2.242 1.978 -17.140 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.841 1.439 -19.406 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.358 0.516 -17.805 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.044 0.042 -16.233 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.429 -0.901 -17.693 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.916 0.756 -14.833 1.00 0.00 N ATOM 1178 CA VAL A 77 -5.161 1.046 -13.428 1.00 0.00 C ATOM 1179 C VAL A 77 -6.519 0.450 -13.020 1.00 0.00 C ATOM 1180 O VAL A 77 -7.186 0.928 -12.097 1.00 0.00 O ATOM 1181 CB VAL A 77 -5.112 2.576 -13.175 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.742 2.952 -12.633 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.407 3.373 -14.455 1.00 0.00 C ATOM 0 H VAL A 77 -5.767 0.567 -15.363 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.382 0.591 -12.816 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.883 2.827 -12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.704 4.027 -12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.563 2.422 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.976 2.678 -13.358 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.363 4.440 -14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.666 3.127 -15.216 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.401 3.118 -14.822 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.882 -0.636 -13.727 1.00 0.00 N ATOM 1194 CA ALA A 78 -8.144 -1.358 -13.540 1.00 0.00 C ATOM 1195 C ALA A 78 -7.966 -2.558 -12.569 1.00 0.00 C ATOM 1196 O ALA A 78 -6.950 -2.594 -11.877 1.00 0.00 O ATOM 1197 CB ALA A 78 -8.639 -1.784 -14.924 1.00 0.00 C ATOM 0 H ALA A 78 -6.293 -1.039 -14.456 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.892 -0.718 -13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.579 -2.326 -14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.794 -0.900 -15.543 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.897 -2.430 -15.393 1.00 0.00 H new ATOM 1203 N PRO A 79 -8.948 -3.543 -12.449 1.00 0.00 N ATOM 1204 CA PRO A 79 -8.806 -4.712 -11.535 1.00 0.00 C ATOM 1205 C PRO A 79 -7.506 -5.515 -11.733 1.00 0.00 C ATOM 1206 O PRO A 79 -7.491 -6.576 -12.372 1.00 0.00 O ATOM 1207 CB PRO A 79 -10.028 -5.579 -11.866 1.00 0.00 C ATOM 1208 CG PRO A 79 -11.042 -4.631 -12.382 1.00 0.00 C ATOM 1209 CD PRO A 79 -10.273 -3.581 -13.133 1.00 0.00 C ATOM 0 HA PRO A 79 -8.754 -4.384 -10.497 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -9.784 -6.338 -12.609 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.391 -6.103 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.754 -5.136 -13.035 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.615 -4.189 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -10.170 -3.839 -14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.772 -2.613 -13.089 1.00 0.00 H new ATOM 1217 N GLN A 80 -6.416 -4.973 -11.191 1.00 0.00 N ATOM 1218 CA GLN A 80 -5.100 -5.605 -11.257 1.00 0.00 C ATOM 1219 C GLN A 80 -4.486 -5.631 -9.848 1.00 0.00 C ATOM 1220 O GLN A 80 -3.620 -4.820 -9.512 1.00 0.00 O ATOM 1221 CB GLN A 80 -4.203 -4.870 -12.291 1.00 0.00 C ATOM 1222 CG GLN A 80 -4.072 -3.355 -12.109 1.00 0.00 C ATOM 1223 CD GLN A 80 -3.140 -2.726 -13.127 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -1.936 -2.613 -12.897 1.00 0.00 O ATOM 1225 NE2 GLN A 80 -3.695 -2.311 -14.260 1.00 0.00 N ATOM 0 H GLN A 80 -6.421 -4.083 -10.693 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.188 -6.636 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.206 -5.308 -12.253 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.599 -5.063 -13.288 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.057 -2.896 -12.191 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.704 -3.143 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.698 -2.425 -14.408 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.119 -1.879 -14.982 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.945 -6.594 -9.029 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.502 -6.714 -7.626 1.00 0.00 C ATOM 1236 C LEU A 81 -4.818 -8.093 -7.026 1.00 0.00 C ATOM 1237 O LEU A 81 -5.472 -8.927 -7.658 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.172 -5.603 -6.765 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.682 -5.748 -6.441 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.173 -4.512 -5.714 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.535 -5.985 -7.686 1.00 0.00 C ATOM 0 H LEU A 81 -5.623 -7.301 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.419 -6.595 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.632 -5.540 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.030 -4.651 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.788 -6.628 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.234 -4.620 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.616 -4.391 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.023 -3.635 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.582 -6.079 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.421 -5.144 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.211 -6.901 -8.180 1.00 0.00 H new ATOM 1253 N SER A 82 -4.333 -8.303 -5.791 1.00 0.00 N ATOM 1254 CA SER A 82 -4.558 -9.539 -5.043 1.00 0.00 C ATOM 1255 C SER A 82 -5.845 -9.418 -4.181 1.00 0.00 C ATOM 1256 O SER A 82 -6.397 -8.318 -4.078 1.00 0.00 O ATOM 1257 CB SER A 82 -3.330 -9.834 -4.170 1.00 0.00 C ATOM 1258 OG SER A 82 -2.879 -11.166 -4.352 1.00 0.00 O ATOM 0 H SER A 82 -3.773 -7.615 -5.287 1.00 0.00 H new ATOM 0 HA SER A 82 -4.700 -10.368 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.528 -9.139 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.579 -9.672 -3.121 1.00 0.00 H new ATOM 0 HG SER A 82 -2.095 -11.326 -3.786 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.356 -10.536 -3.549 1.00 0.00 N ATOM 1265 CA PRO A 83 -7.601 -10.524 -2.728 1.00 0.00 C ATOM 1266 C PRO A 83 -7.757 -9.375 -1.725 1.00 0.00 C ATOM 1267 O PRO A 83 -8.875 -8.881 -1.547 1.00 0.00 O ATOM 1268 CB PRO A 83 -7.545 -11.861 -1.994 1.00 0.00 C ATOM 1269 CG PRO A 83 -6.828 -12.767 -2.925 1.00 0.00 C ATOM 1270 CD PRO A 83 -5.791 -11.916 -3.608 1.00 0.00 C ATOM 0 HA PRO A 83 -8.461 -10.374 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.018 -11.770 -1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.545 -12.233 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.363 -13.593 -2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.514 -13.205 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.829 -11.975 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.627 -12.236 -4.637 1.00 0.00 H new ATOM 1278 N GLY A 84 -6.672 -8.947 -1.075 1.00 0.00 N ATOM 1279 CA GLY A 84 -6.803 -7.863 -0.114 1.00 0.00 C ATOM 1280 C GLY A 84 -5.542 -7.555 0.674 1.00 0.00 C ATOM 1281 O GLY A 84 -4.548 -8.277 0.581 1.00 0.00 O ATOM 0 H GLY A 84 -5.730 -9.320 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.113 -6.962 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.601 -8.111 0.586 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.618 -6.467 1.481 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.512 -5.963 2.348 1.00 0.00 C ATOM 1287 C ASP A 85 -3.140 -5.864 1.636 1.00 0.00 C ATOM 1288 O ASP A 85 -2.150 -6.439 2.098 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.393 -6.776 3.669 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.245 -8.281 3.484 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.095 -8.755 3.379 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.280 -8.979 3.444 1.00 0.00 O ATOM 0 H ASP A 85 -6.464 -5.902 1.552 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.797 -4.940 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.534 -6.407 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.277 -6.584 4.277 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.103 -5.173 0.483 1.00 0.00 N ATOM 1298 CA ILE A 86 -1.852 -4.985 -0.280 1.00 0.00 C ATOM 1299 C ILE A 86 -1.807 -3.665 -1.081 1.00 0.00 C ATOM 1300 O ILE A 86 -2.847 -3.149 -1.512 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.507 -6.194 -1.219 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -2.680 -7.176 -1.401 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.300 -6.939 -0.672 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.631 -6.816 -2.522 1.00 0.00 C ATOM 0 H ILE A 86 -3.921 -4.736 0.059 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.084 -4.930 0.491 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.288 -5.776 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.278 -8.172 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.241 -7.229 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.063 -7.778 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.554 -6.263 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.524 -7.311 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.425 -7.560 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.066 -5.835 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.088 -6.793 -3.467 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.576 -3.114 -1.210 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.259 -1.906 -2.025 1.00 0.00 C ATOM 1318 C VAL A 87 1.166 -2.091 -2.623 1.00 0.00 C ATOM 1319 O VAL A 87 2.064 -2.508 -1.886 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.366 -0.586 -1.187 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.502 -0.614 0.074 1.00 0.00 C ATOM 1322 CG2 VAL A 87 -0.046 0.651 -2.029 1.00 0.00 C ATOM 0 H VAL A 87 0.244 -3.501 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.990 -1.806 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.405 -0.522 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.388 0.325 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.190 -1.440 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.547 -0.747 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.132 1.544 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.970 0.574 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.748 0.717 -2.860 1.00 0.00 H new ATOM 1332 N VAL A 88 1.394 -1.790 -3.935 1.00 0.00 N ATOM 1333 CA VAL A 88 2.727 -2.009 -4.527 1.00 0.00 C ATOM 1334 C VAL A 88 3.657 -0.799 -4.335 1.00 0.00 C ATOM 1335 O VAL A 88 3.326 0.313 -4.738 1.00 0.00 O ATOM 1336 CB VAL A 88 2.640 -2.345 -6.047 1.00 0.00 C ATOM 1337 CG1 VAL A 88 4.009 -2.670 -6.637 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.687 -3.492 -6.327 1.00 0.00 C ATOM 0 H VAL A 88 0.695 -1.410 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 88 3.148 -2.862 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 88 2.253 -1.447 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.903 -2.898 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.671 -1.813 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.432 -3.532 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.660 -3.689 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.028 -4.385 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.688 -3.227 -5.981 1.00 0.00 H new ATOM 1348 N ALA A 89 4.801 -1.054 -3.678 1.00 0.00 N ATOM 1349 CA ALA A 89 5.854 -0.068 -3.442 1.00 0.00 C ATOM 1350 C ALA A 89 7.191 -0.800 -3.425 1.00 0.00 C ATOM 1351 O ALA A 89 7.544 -1.432 -2.425 1.00 0.00 O ATOM 1352 CB ALA A 89 5.620 0.687 -2.131 1.00 0.00 C ATOM 0 H ALA A 89 5.018 -1.972 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 89 5.850 0.677 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.419 1.414 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.662 1.205 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.612 -0.019 -1.301 1.00 0.00 H new ATOM 1358 N LEU A 90 7.919 -0.746 -4.543 1.00 0.00 N ATOM 1359 CA LEU A 90 9.205 -1.440 -4.634 1.00 0.00 C ATOM 1360 C LEU A 90 10.314 -0.516 -5.076 1.00 0.00 C ATOM 1361 O LEU A 90 10.089 0.380 -5.876 1.00 0.00 O ATOM 1362 CB LEU A 90 9.130 -2.670 -5.577 1.00 0.00 C ATOM 1363 CG LEU A 90 8.846 -2.456 -7.097 1.00 0.00 C ATOM 1364 CD1 LEU A 90 8.553 -3.789 -7.759 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.682 -1.505 -7.360 1.00 0.00 C ATOM 0 H LEU A 90 7.646 -0.238 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 90 9.435 -1.792 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.077 -3.204 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.355 -3.332 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 90 9.742 -2.001 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.356 -3.633 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.412 -4.449 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.680 -4.244 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.535 -1.398 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.775 -1.906 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.903 -0.530 -6.925 1.00 0.00 H new ATOM 1377 N GLY A 91 11.505 -0.736 -4.520 1.00 0.00 N ATOM 1378 CA GLY A 91 12.667 0.046 -4.882 1.00 0.00 C ATOM 1379 C GLY A 91 12.759 1.416 -4.253 1.00 0.00 C ATOM 1380 O GLY A 91 12.687 1.553 -3.030 1.00 0.00 O ATOM 0 H GLY A 91 11.682 -1.453 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.560 -0.518 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.680 0.163 -5.966 1.00 0.00 H new ATOM 1384 N HIS A 92 12.949 2.426 -5.121 1.00 0.00 N ATOM 1385 CA HIS A 92 13.068 3.847 -4.709 1.00 0.00 C ATOM 1386 C HIS A 92 11.753 4.341 -4.108 1.00 0.00 C ATOM 1387 O HIS A 92 11.050 5.195 -4.662 1.00 0.00 O ATOM 1388 CB HIS A 92 13.475 4.712 -5.902 1.00 0.00 C ATOM 1389 CG HIS A 92 13.940 6.094 -5.540 1.00 0.00 C ATOM 1390 ND1 HIS A 92 13.141 7.212 -5.658 1.00 0.00 N ATOM 1391 CD2 HIS A 92 15.128 6.533 -5.062 1.00 0.00 C ATOM 1392 CE1 HIS A 92 13.818 8.278 -5.269 1.00 0.00 C ATOM 1393 NE2 HIS A 92 15.026 7.893 -4.902 1.00 0.00 N ATOM 0 H HIS A 92 13.025 2.286 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 92 13.842 3.925 -3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.272 4.205 -6.447 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.627 4.794 -6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 92 15.995 5.926 -4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.446 9.292 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.764 8.506 -4.556 1.00 0.00 H new ATOM 1402 N THR A 93 11.460 3.773 -2.961 1.00 0.00 N ATOM 1403 CA THR A 93 10.247 4.041 -2.217 1.00 0.00 C ATOM 1404 C THR A 93 10.637 4.452 -0.782 1.00 0.00 C ATOM 1405 O THR A 93 11.034 3.594 0.012 1.00 0.00 O ATOM 1406 CB THR A 93 9.333 2.776 -2.269 1.00 0.00 C ATOM 1407 OG1 THR A 93 9.912 1.705 -1.509 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.163 2.322 -3.725 1.00 0.00 C ATOM 0 H THR A 93 12.072 3.095 -2.507 1.00 0.00 H new ATOM 0 HA THR A 93 9.677 4.863 -2.649 1.00 0.00 H new ATOM 0 HB THR A 93 8.363 3.032 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.442 2.076 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.525 1.439 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.705 3.123 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.139 2.081 -4.147 1.00 0.00 H new ATOM 1416 N PRO A 94 10.550 5.782 -0.425 1.00 0.00 N ATOM 1417 CA PRO A 94 10.974 6.294 0.905 1.00 0.00 C ATOM 1418 C PRO A 94 10.276 5.632 2.102 1.00 0.00 C ATOM 1419 O PRO A 94 9.241 6.106 2.583 1.00 0.00 O ATOM 1420 CB PRO A 94 10.664 7.801 0.840 1.00 0.00 C ATOM 1421 CG PRO A 94 9.695 7.964 -0.279 1.00 0.00 C ATOM 1422 CD PRO A 94 10.019 6.885 -1.270 1.00 0.00 C ATOM 0 HA PRO A 94 12.026 6.067 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.240 8.155 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.570 8.380 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.669 7.871 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.786 8.951 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.135 6.574 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.755 7.220 -2.001 1.00 0.00 H new ATOM 1430 N VAL A 95 10.878 4.524 2.566 1.00 0.00 N ATOM 1431 CA VAL A 95 10.384 3.742 3.715 1.00 0.00 C ATOM 1432 C VAL A 95 11.449 2.752 4.203 1.00 0.00 C ATOM 1433 O VAL A 95 11.619 2.559 5.410 1.00 0.00 O ATOM 1434 CB VAL A 95 9.068 2.953 3.422 1.00 0.00 C ATOM 1435 CG1 VAL A 95 7.852 3.832 3.676 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.030 2.388 1.999 1.00 0.00 C ATOM 0 H VAL A 95 11.728 4.142 2.152 1.00 0.00 H new ATOM 0 HA VAL A 95 10.162 4.480 4.486 1.00 0.00 H new ATOM 0 HB VAL A 95 9.046 2.104 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.944 3.266 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.847 4.154 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.893 4.706 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.095 1.849 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.099 3.205 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.869 1.707 1.855 1.00 0.00 H new ATOM 1446 N GLY A 96 12.158 2.134 3.246 1.00 0.00 N ATOM 1447 CA GLY A 96 13.199 1.164 3.563 1.00 0.00 C ATOM 1448 C GLY A 96 14.581 1.770 3.631 1.00 0.00 C ATOM 1449 O GLY A 96 15.044 2.390 2.669 1.00 0.00 O ATOM 0 H GLY A 96 12.024 2.294 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.969 0.694 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.192 0.376 2.810 1.00 0.00 H new ATOM 1453 N GLY A 97 15.234 1.582 4.785 1.00 0.00 N ATOM 1454 CA GLY A 97 16.593 2.075 4.988 1.00 0.00 C ATOM 1455 C GLY A 97 17.629 1.079 4.486 1.00 0.00 C ATOM 1456 O GLY A 97 18.821 1.192 4.785 1.00 0.00 O ATOM 0 H GLY A 97 14.840 1.092 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.718 3.025 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.756 2.268 6.048 1.00 0.00 H new ATOM 1460 N ILE A 98 17.136 0.104 3.716 1.00 0.00 N ATOM 1461 CA ILE A 98 17.937 -0.956 3.122 1.00 0.00 C ATOM 1462 C ILE A 98 18.362 -0.539 1.691 1.00 0.00 C ATOM 1463 O ILE A 98 17.922 0.506 1.206 1.00 0.00 O ATOM 1464 CB ILE A 98 17.125 -2.313 3.171 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.684 -3.410 2.246 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.636 -2.091 2.881 1.00 0.00 C ATOM 1467 CD1 ILE A 98 18.834 -4.195 2.848 1.00 0.00 C ATOM 0 H ILE A 98 16.145 0.034 3.487 1.00 0.00 H new ATOM 0 HA ILE A 98 18.856 -1.119 3.685 1.00 0.00 H new ATOM 0 HB ILE A 98 17.243 -2.674 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 98 16.880 -4.100 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 98 18.018 -2.951 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.111 -3.045 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.218 -1.413 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.520 -1.657 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 98 19.172 -4.948 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.656 -3.517 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.501 -4.684 3.763 1.00 0.00 H new ATOM 1479 N PHE A 99 19.242 -1.326 1.046 1.00 0.00 N ATOM 1480 CA PHE A 99 19.704 -1.019 -0.316 1.00 0.00 C ATOM 1481 C PHE A 99 19.636 -2.251 -1.236 1.00 0.00 C ATOM 1482 O PHE A 99 20.578 -3.049 -1.312 1.00 0.00 O ATOM 1483 CB PHE A 99 21.130 -0.450 -0.267 1.00 0.00 C ATOM 1484 CG PHE A 99 21.519 0.349 -1.484 1.00 0.00 C ATOM 1485 CD1 PHE A 99 22.114 -0.268 -2.573 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.288 1.714 -1.536 1.00 0.00 C ATOM 1487 CE1 PHE A 99 22.472 0.462 -3.691 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.644 2.450 -2.651 1.00 0.00 C ATOM 1489 CZ PHE A 99 22.237 1.823 -3.729 1.00 0.00 C ATOM 0 H PHE A 99 19.644 -2.174 1.445 1.00 0.00 H new ATOM 0 HA PHE A 99 19.035 -0.269 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.226 0.183 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.834 -1.274 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 99 22.300 -1.332 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 99 20.824 2.209 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 99 22.935 -0.031 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.459 3.514 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 99 22.517 2.396 -4.601 1.00 0.00 H new ATOM 1499 N ASP A 100 18.489 -2.384 -1.925 1.00 0.00 N ATOM 1500 CA ASP A 100 18.224 -3.467 -2.883 1.00 0.00 C ATOM 1501 C ASP A 100 17.087 -3.077 -3.835 1.00 0.00 C ATOM 1502 O ASP A 100 15.982 -2.800 -3.391 1.00 0.00 O ATOM 1503 CB ASP A 100 17.812 -4.767 -2.155 1.00 0.00 C ATOM 1504 CG ASP A 100 18.971 -5.470 -1.475 1.00 0.00 C ATOM 1505 OD1 ASP A 100 19.615 -6.319 -2.125 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.234 -5.170 -0.291 1.00 0.00 O ATOM 0 H ASP A 100 17.710 -1.732 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 100 19.145 -3.634 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.052 -4.532 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.355 -5.448 -2.873 1.00 0.00 H new ATOM 1511 N LEU A 101 17.338 -3.091 -5.147 1.00 0.00 N ATOM 1512 CA LEU A 101 16.275 -2.797 -6.117 1.00 0.00 C ATOM 1513 C LEU A 101 15.977 -4.044 -6.939 1.00 0.00 C ATOM 1514 O LEU A 101 16.889 -4.667 -7.484 1.00 0.00 O ATOM 1515 CB LEU A 101 16.603 -1.622 -7.065 1.00 0.00 C ATOM 1516 CG LEU A 101 15.430 -0.651 -7.371 1.00 0.00 C ATOM 1517 CD1 LEU A 101 14.079 -1.359 -7.364 1.00 0.00 C ATOM 1518 CD2 LEU A 101 15.473 0.524 -6.405 1.00 0.00 C ATOM 0 H LEU A 101 18.248 -3.298 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 101 15.404 -2.493 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.421 -1.047 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.966 -2.031 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 101 15.554 -0.267 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.290 -0.639 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.075 -2.143 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.905 -1.801 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.649 1.204 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.382 0.158 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.419 1.053 -6.518 1.00 0.00 H new ATOM 1530 N LYS A 102 14.709 -4.465 -6.939 1.00 0.00 N ATOM 1531 CA LYS A 102 14.301 -5.626 -7.716 1.00 0.00 C ATOM 1532 C LYS A 102 13.787 -5.231 -9.108 1.00 0.00 C ATOM 1533 O LYS A 102 12.700 -4.664 -9.257 1.00 0.00 O ATOM 1534 CB LYS A 102 13.286 -6.480 -6.916 1.00 0.00 C ATOM 1535 CG LYS A 102 11.904 -5.851 -6.694 1.00 0.00 C ATOM 1536 CD LYS A 102 10.854 -6.407 -7.655 1.00 0.00 C ATOM 1537 CE LYS A 102 9.671 -7.011 -6.905 1.00 0.00 C ATOM 1538 NZ LYS A 102 9.984 -8.366 -6.372 1.00 0.00 N ATOM 0 H LYS A 102 13.957 -4.020 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 102 15.178 -6.248 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.152 -7.429 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.720 -6.707 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.586 -6.031 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.974 -4.771 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.502 -5.611 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.308 -7.166 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.389 -6.354 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.812 -7.073 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.155 -8.741 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.229 -9.001 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.788 -8.303 -5.715 1.00 0.00 H new ATOM 1552 N VAL A 103 14.620 -5.503 -10.119 1.00 0.00 N ATOM 1553 CA VAL A 103 14.282 -5.205 -11.514 1.00 0.00 C ATOM 1554 C VAL A 103 14.746 -6.369 -12.415 1.00 0.00 C ATOM 1555 O VAL A 103 15.896 -6.396 -12.876 1.00 0.00 O ATOM 1556 CB VAL A 103 14.912 -3.857 -12.019 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.320 -3.436 -13.364 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.735 -2.725 -11.008 1.00 0.00 C ATOM 0 H VAL A 103 15.537 -5.931 -9.995 1.00 0.00 H new ATOM 0 HA VAL A 103 13.199 -5.089 -11.568 1.00 0.00 H new ATOM 0 HB VAL A 103 15.979 -4.044 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.777 -2.500 -13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.517 -4.210 -14.106 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.244 -3.298 -13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.186 -1.813 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.672 -2.558 -10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.220 -2.996 -10.070 1.00 0.00 H new ATOM 1568 N GLY A 104 13.850 -7.350 -12.616 1.00 0.00 N ATOM 1569 CA GLY A 104 14.131 -8.518 -13.467 1.00 0.00 C ATOM 1570 C GLY A 104 15.407 -9.269 -13.121 1.00 0.00 C ATOM 1571 O GLY A 104 15.456 -9.990 -12.122 1.00 0.00 O ATOM 0 H GLY A 104 12.920 -7.356 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.290 -9.209 -13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.191 -8.188 -14.504 1.00 0.00 H new ATOM 1575 N SER A 105 16.439 -9.097 -13.966 1.00 0.00 N ATOM 1576 CA SER A 105 17.750 -9.735 -13.756 1.00 0.00 C ATOM 1577 C SER A 105 18.552 -8.974 -12.684 1.00 0.00 C ATOM 1578 O SER A 105 19.764 -9.159 -12.521 1.00 0.00 O ATOM 1579 CB SER A 105 18.525 -9.788 -15.080 1.00 0.00 C ATOM 1580 OG SER A 105 18.630 -8.501 -15.666 1.00 0.00 O ATOM 0 H SER A 105 16.389 -8.518 -14.805 1.00 0.00 H new ATOM 0 HA SER A 105 17.595 -10.755 -13.403 1.00 0.00 H new ATOM 0 HB2 SER A 105 19.522 -10.193 -14.905 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.023 -10.465 -15.771 1.00 0.00 H new ATOM 0 HG SER A 105 19.130 -8.564 -16.507 1.00 0.00 H new ATOM 1586 N THR A 106 17.820 -8.137 -11.952 1.00 0.00 N ATOM 1587 CA THR A 106 18.342 -7.306 -10.878 1.00 0.00 C ATOM 1588 C THR A 106 17.323 -7.333 -9.742 1.00 0.00 C ATOM 1589 O THR A 106 17.210 -6.394 -8.956 1.00 0.00 O ATOM 1590 CB THR A 106 18.517 -5.848 -11.361 1.00 0.00 C ATOM 1591 OG1 THR A 106 18.827 -5.821 -12.755 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.608 -5.122 -10.580 1.00 0.00 C ATOM 0 H THR A 106 16.817 -8.017 -12.097 1.00 0.00 H new ATOM 0 HA THR A 106 19.312 -7.682 -10.553 1.00 0.00 H new ATOM 0 HB THR A 106 17.573 -5.331 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.011 -5.978 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.701 -4.100 -10.949 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.347 -5.104 -9.522 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.557 -5.643 -10.711 1.00 0.00 H new ATOM 1600 N LYS A 107 16.595 -8.446 -9.673 1.00 0.00 N ATOM 1601 CA LYS A 107 15.526 -8.640 -8.708 1.00 0.00 C ATOM 1602 C LYS A 107 16.030 -8.817 -7.253 1.00 0.00 C ATOM 1603 O LYS A 107 16.261 -9.936 -6.782 1.00 0.00 O ATOM 1604 CB LYS A 107 14.666 -9.818 -9.184 1.00 0.00 C ATOM 1605 CG LYS A 107 13.203 -9.735 -8.763 1.00 0.00 C ATOM 1606 CD LYS A 107 12.363 -10.820 -9.422 1.00 0.00 C ATOM 1607 CE LYS A 107 11.670 -10.313 -10.681 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.804 -11.356 -11.297 1.00 0.00 N ATOM 0 H LYS A 107 16.736 -9.243 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 107 14.921 -7.734 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.717 -9.874 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.092 -10.744 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.131 -9.827 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.804 -8.756 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.999 -11.669 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.615 -11.180 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.067 -9.439 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.420 -9.991 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.351 -10.971 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.383 -12.181 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.072 -11.645 -10.617 1.00 0.00 H new ATOM 1622 N HIS A 108 16.205 -7.668 -6.570 1.00 0.00 N ATOM 1623 CA HIS A 108 16.627 -7.608 -5.166 1.00 0.00 C ATOM 1624 C HIS A 108 15.853 -6.464 -4.527 1.00 0.00 C ATOM 1625 O HIS A 108 16.175 -5.318 -4.738 1.00 0.00 O ATOM 1626 CB HIS A 108 18.144 -7.378 -5.021 1.00 0.00 C ATOM 1627 CG HIS A 108 19.004 -8.394 -5.723 1.00 0.00 C ATOM 1628 ND1 HIS A 108 20.009 -8.044 -6.602 1.00 0.00 N ATOM 1629 CD2 HIS A 108 19.011 -9.751 -5.674 1.00 0.00 C ATOM 1630 CE1 HIS A 108 20.593 -9.137 -7.061 1.00 0.00 C ATOM 1631 NE2 HIS A 108 20.006 -10.184 -6.513 1.00 0.00 N ATOM 0 H HIS A 108 16.054 -6.749 -6.987 1.00 0.00 H new ATOM 0 HA HIS A 108 16.419 -8.559 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.386 -6.388 -5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.398 -7.377 -3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.355 -10.374 -5.084 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.412 -9.168 -7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.253 -11.159 -6.686 1.00 0.00 H new ATOM 1640 N THR A 109 14.849 -6.781 -3.731 1.00 0.00 N ATOM 1641 CA THR A 109 13.969 -5.752 -3.160 1.00 0.00 C ATOM 1642 C THR A 109 14.339 -5.259 -1.762 1.00 0.00 C ATOM 1643 O THR A 109 14.624 -6.042 -0.859 1.00 0.00 O ATOM 1644 CB THR A 109 12.505 -6.252 -3.112 1.00 0.00 C ATOM 1645 OG1 THR A 109 12.278 -7.258 -4.106 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.506 -5.109 -3.305 1.00 0.00 C ATOM 0 H THR A 109 14.615 -7.736 -3.460 1.00 0.00 H new ATOM 0 HA THR A 109 14.096 -4.905 -3.834 1.00 0.00 H new ATOM 0 HB THR A 109 12.348 -6.680 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.484 -7.781 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.490 -5.503 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.641 -4.371 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.674 -4.638 -4.274 1.00 0.00 H new ATOM 1654 N LEU A 110 14.334 -3.923 -1.636 1.00 0.00 N ATOM 1655 CA LEU A 110 14.549 -3.234 -0.364 1.00 0.00 C ATOM 1656 C LEU A 110 13.206 -2.598 0.080 1.00 0.00 C ATOM 1657 O LEU A 110 12.844 -1.514 -0.385 1.00 0.00 O ATOM 1658 CB LEU A 110 15.680 -2.159 -0.543 1.00 0.00 C ATOM 1659 CG LEU A 110 15.292 -0.742 -1.077 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.515 0.126 -1.268 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.545 -0.795 -2.395 1.00 0.00 C ATOM 0 H LEU A 110 14.179 -3.291 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 110 14.875 -3.927 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.166 -2.026 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.426 -2.574 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 110 14.637 -0.316 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.212 1.105 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 110 17.030 0.244 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.186 -0.344 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.302 0.218 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.170 -1.275 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.625 -1.366 -2.269 1.00 0.00 H new ATOM 1673 N GLN A 111 12.425 -3.258 0.948 1.00 0.00 N ATOM 1674 CA GLN A 111 11.149 -2.650 1.349 1.00 0.00 C ATOM 1675 C GLN A 111 10.737 -2.984 2.782 1.00 0.00 C ATOM 1676 O GLN A 111 10.128 -4.021 3.055 1.00 0.00 O ATOM 1677 CB GLN A 111 10.057 -3.053 0.342 1.00 0.00 C ATOM 1678 CG GLN A 111 8.981 -2.000 0.111 1.00 0.00 C ATOM 1679 CD GLN A 111 7.925 -1.996 1.192 1.00 0.00 C ATOM 1680 OE1 GLN A 111 8.021 -1.246 2.160 1.00 0.00 O ATOM 1681 NE2 GLN A 111 6.918 -2.847 1.031 1.00 0.00 N ATOM 0 H GLN A 111 12.637 -4.164 1.366 1.00 0.00 H new ATOM 0 HA GLN A 111 11.283 -1.568 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.530 -3.284 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.580 -3.969 0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.447 -1.016 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.506 -2.178 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.885 -3.449 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.177 -2.899 1.730 1.00 0.00 H new ATOM 1690 N ALA A 112 11.093 -2.072 3.683 1.00 0.00 N ATOM 1691 CA ALA A 112 10.757 -2.176 5.103 1.00 0.00 C ATOM 1692 C ALA A 112 9.770 -1.083 5.507 1.00 0.00 C ATOM 1693 O ALA A 112 10.140 0.096 5.582 1.00 0.00 O ATOM 1694 CB ALA A 112 12.019 -2.127 5.956 1.00 0.00 C ATOM 0 H ALA A 112 11.626 -1.235 3.448 1.00 0.00 H new ATOM 0 HA ALA A 112 10.274 -3.138 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.750 -2.206 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.673 -2.956 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.538 -1.184 5.784 1.00 0.00 H new ATOM 1700 N ILE A 113 8.512 -1.468 5.749 1.00 0.00 N ATOM 1701 CA ILE A 113 7.492 -0.496 6.153 1.00 0.00 C ATOM 1702 C ILE A 113 6.991 -0.747 7.578 1.00 0.00 C ATOM 1703 O ILE A 113 7.283 0.052 8.473 1.00 0.00 O ATOM 1704 CB ILE A 113 6.282 -0.403 5.170 1.00 0.00 C ATOM 1705 CG1 ILE A 113 6.104 -1.689 4.346 1.00 0.00 C ATOM 1706 CG2 ILE A 113 6.439 0.793 4.260 1.00 0.00 C ATOM 1707 CD1 ILE A 113 5.073 -1.614 3.225 1.00 0.00 C ATOM 0 H ILE A 113 8.180 -2.430 5.674 1.00 0.00 H new ATOM 0 HA ILE A 113 8.002 0.467 6.121 1.00 0.00 H new ATOM 0 HB ILE A 113 5.381 -0.280 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.067 -1.958 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.822 -2.496 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.589 0.847 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.482 1.703 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.359 0.694 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.027 -2.573 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 113 4.095 -1.381 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.359 -0.834 2.519 1.00 0.00 H new ATOM 1719 N GLU A 114 6.247 -1.855 7.801 1.00 0.00 N ATOM 1720 CA GLU A 114 5.684 -2.172 9.144 1.00 0.00 C ATOM 1721 C GLU A 114 5.031 -3.568 9.113 1.00 0.00 C ATOM 1722 O GLU A 114 5.221 -4.303 8.153 1.00 0.00 O ATOM 1723 CB GLU A 114 4.681 -1.028 9.558 1.00 0.00 C ATOM 1724 CG GLU A 114 3.448 -1.426 10.380 1.00 0.00 C ATOM 1725 CD GLU A 114 3.687 -1.351 11.875 1.00 0.00 C ATOM 1726 OE1 GLU A 114 3.451 -0.274 12.461 1.00 0.00 O ATOM 1727 OE2 GLU A 114 4.109 -2.371 12.461 1.00 0.00 O ATOM 0 H GLU A 114 6.022 -2.541 7.080 1.00 0.00 H new ATOM 0 HA GLU A 114 6.468 -2.209 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.238 -0.283 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.334 -0.540 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.616 -0.773 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.153 -2.441 10.115 1.00 0.00 H new ATOM 1734 N THR A 115 4.366 -3.975 10.204 1.00 0.00 N ATOM 1735 CA THR A 115 3.638 -5.239 10.216 1.00 0.00 C ATOM 1736 C THR A 115 2.151 -4.941 10.477 1.00 0.00 C ATOM 1737 O THR A 115 1.652 -5.075 11.601 1.00 0.00 O ATOM 1738 CB THR A 115 4.197 -6.221 11.282 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.612 -6.039 11.432 1.00 0.00 O ATOM 1740 CG2 THR A 115 3.921 -7.671 10.897 1.00 0.00 C ATOM 0 H THR A 115 4.321 -3.450 11.077 1.00 0.00 H new ATOM 0 HA THR A 115 3.760 -5.727 9.249 1.00 0.00 H new ATOM 0 HB THR A 115 3.694 -6.005 12.224 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.952 -6.662 12.108 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.324 -8.334 11.663 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.845 -7.827 10.812 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.396 -7.890 9.941 1.00 0.00 H new ATOM 1748 N ARG A 116 1.465 -4.509 9.408 1.00 0.00 N ATOM 1749 CA ARG A 116 0.035 -4.182 9.447 1.00 0.00 C ATOM 1750 C ARG A 116 -0.672 -4.793 8.237 1.00 0.00 C ATOM 1751 O ARG A 116 -0.277 -4.530 7.102 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.165 -2.660 9.475 1.00 0.00 C ATOM 1753 CG ARG A 116 -1.408 -2.215 10.238 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.580 -0.702 10.209 1.00 0.00 C ATOM 1755 NE ARG A 116 -0.613 -0.015 11.076 1.00 0.00 N ATOM 1756 CZ ARG A 116 -0.562 1.312 11.262 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -1.418 2.128 10.649 1.00 0.00 N ATOM 1758 NH2 ARG A 116 0.356 1.825 12.070 1.00 0.00 N ATOM 0 H ARG A 116 1.890 -4.377 8.490 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.399 -4.601 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.712 -2.196 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.228 -2.293 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.289 -2.689 9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -1.340 -2.553 11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -1.465 -0.345 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.592 -0.447 10.524 1.00 0.00 H new ATOM 0 HE ARG A 116 0.069 -0.589 11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.129 1.746 10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.363 3.135 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.017 1.211 12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.401 2.833 12.216 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.684 -5.626 8.480 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.434 -6.270 7.396 1.00 0.00 C ATOM 1774 C VAL A 117 -3.962 -6.111 7.542 1.00 0.00 C ATOM 1775 O VAL A 117 -4.597 -6.931 8.219 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.075 -7.791 7.266 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -0.722 -7.974 6.592 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -2.079 -8.511 8.620 1.00 0.00 C ATOM 0 H VAL A 117 -2.005 -5.872 9.416 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.131 -5.751 6.486 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.852 -8.241 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.495 -9.037 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.750 -7.534 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.049 -7.482 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.824 -9.561 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.346 -8.048 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.070 -8.437 9.069 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.573 -5.063 6.948 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.026 -4.945 7.021 1.00 0.00 C ATOM 1790 C LEU A 118 -6.624 -5.293 5.660 1.00 0.00 C ATOM 1791 O LEU A 118 -6.360 -4.611 4.666 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.466 -3.544 7.491 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.360 -3.221 9.007 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.112 -4.236 9.868 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.903 -3.117 9.452 1.00 0.00 C ATOM 0 H LEU A 118 -4.098 -4.320 6.435 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.399 -5.647 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.872 -2.808 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.504 -3.401 7.190 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.835 -2.251 9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.009 -3.968 10.920 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.167 -4.234 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.697 -5.230 9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.863 -2.890 10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.396 -4.064 9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.408 -2.323 8.893 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.412 -6.385 5.624 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.045 -6.893 4.388 1.00 0.00 C ATOM 1809 C ALA A 119 -8.875 -5.832 3.663 1.00 0.00 C ATOM 1810 O ALA A 119 -9.940 -5.421 4.141 1.00 0.00 O ATOM 1811 CB ALA A 119 -8.894 -8.117 4.706 1.00 0.00 C ATOM 0 H ALA A 119 -7.629 -6.941 6.451 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.242 -7.172 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.357 -8.486 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.263 -8.896 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.670 -7.846 5.422 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.358 -5.382 2.507 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.035 -4.369 1.719 1.00 0.00 C ATOM 1819 C GLY A 120 -8.654 -2.965 2.155 1.00 0.00 C ATOM 1820 O GLY A 120 -9.056 -1.976 1.541 1.00 0.00 O ATOM 0 H GLY A 120 -7.478 -5.709 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.787 -4.502 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.113 -4.498 1.811 1.00 0.00 H new ATOM 1824 N SER A 121 -7.875 -2.907 3.232 1.00 0.00 N ATOM 1825 CA SER A 121 -7.387 -1.674 3.798 1.00 0.00 C ATOM 1826 C SER A 121 -5.856 -1.678 3.747 1.00 0.00 C ATOM 1827 O SER A 121 -5.257 -2.538 3.092 1.00 0.00 O ATOM 1828 CB SER A 121 -7.948 -1.445 5.211 1.00 0.00 C ATOM 1829 OG SER A 121 -7.722 -0.112 5.636 1.00 0.00 O ATOM 0 H SER A 121 -7.565 -3.737 3.738 1.00 0.00 H new ATOM 0 HA SER A 121 -7.741 -0.828 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.017 -1.658 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.479 -2.138 5.909 1.00 0.00 H new ATOM 0 HG SER A 121 -7.553 0.456 4.855 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.230 -0.727 4.432 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.782 -0.549 4.401 1.00 0.00 C ATOM 1837 C LYS A 122 -3.011 -1.724 4.991 1.00 0.00 C ATOM 1838 O LYS A 122 -3.482 -2.429 5.899 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.410 0.760 5.096 1.00 0.00 C ATOM 1840 CG LYS A 122 -3.940 1.988 4.350 1.00 0.00 C ATOM 1841 CD LYS A 122 -2.860 2.699 3.530 1.00 0.00 C ATOM 1842 CE LYS A 122 -2.748 2.138 2.116 1.00 0.00 C ATOM 1843 NZ LYS A 122 -1.731 2.866 1.308 1.00 0.00 N ATOM 0 H LYS A 122 -5.714 -0.055 5.027 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.487 -0.505 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.808 0.755 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.325 0.829 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.750 1.683 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.363 2.689 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.087 3.764 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.899 2.601 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.484 1.081 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.718 2.202 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.686 2.454 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.995 3.870 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.800 2.783 1.765 1.00 0.00 H new ATOM 1857 N MET A 123 -1.830 -1.931 4.408 1.00 0.00 N ATOM 1858 CA MET A 123 -0.918 -2.995 4.802 1.00 0.00 C ATOM 1859 C MET A 123 0.522 -2.562 4.589 1.00 0.00 C ATOM 1860 O MET A 123 0.894 -2.094 3.509 1.00 0.00 O ATOM 1861 CB MET A 123 -1.221 -4.287 4.009 1.00 0.00 C ATOM 1862 CG MET A 123 -0.212 -5.427 4.194 1.00 0.00 C ATOM 1863 SD MET A 123 0.558 -5.959 2.646 1.00 0.00 S ATOM 1864 CE MET A 123 1.895 -4.780 2.477 1.00 0.00 C ATOM 0 H MET A 123 -1.480 -1.356 3.641 1.00 0.00 H new ATOM 0 HA MET A 123 -1.062 -3.202 5.862 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.208 -4.648 4.299 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.272 -4.038 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.566 -5.106 4.887 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.716 -6.278 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 123 2.711 -5.233 1.914 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.536 -3.896 1.949 1.00 0.00 H new ATOM 0 HE3 MET A 123 2.253 -4.492 3.465 1.00 0.00 H new ATOM 1874 N THR A 124 1.307 -2.717 5.643 1.00 0.00 N ATOM 1875 CA THR A 124 2.719 -2.406 5.621 1.00 0.00 C ATOM 1876 C THR A 124 3.495 -3.650 6.028 1.00 0.00 C ATOM 1877 O THR A 124 3.122 -4.311 7.000 1.00 0.00 O ATOM 1878 CB THR A 124 3.034 -1.246 6.574 1.00 0.00 C ATOM 1879 OG1 THR A 124 2.231 -1.365 7.752 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.764 0.104 5.922 1.00 0.00 C ATOM 0 H THR A 124 0.975 -3.065 6.543 1.00 0.00 H new ATOM 0 HA THR A 124 3.009 -2.099 4.616 1.00 0.00 H new ATOM 0 HB THR A 124 4.093 -1.299 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 124 2.167 -2.308 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.998 0.902 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 124 3.387 0.210 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.713 0.168 5.638 1.00 0.00 H new ATOM 1888 N VAL A 125 4.532 -4.000 5.253 1.00 0.00 N ATOM 1889 CA VAL A 125 5.335 -5.201 5.533 1.00 0.00 C ATOM 1890 C VAL A 125 6.858 -4.953 5.475 1.00 0.00 C ATOM 1891 O VAL A 125 7.328 -4.041 4.796 1.00 0.00 O ATOM 1892 CB VAL A 125 4.899 -6.355 4.589 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.380 -6.161 3.148 1.00 0.00 C ATOM 1894 CG2 VAL A 125 5.320 -7.721 5.130 1.00 0.00 C ATOM 0 H VAL A 125 4.833 -3.473 4.433 1.00 0.00 H new ATOM 0 HA VAL A 125 5.137 -5.490 6.565 1.00 0.00 H new ATOM 0 HB VAL A 125 3.810 -6.325 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.045 -6.999 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.969 -5.233 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.469 -6.113 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.996 -8.501 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.405 -7.754 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 125 4.860 -7.884 6.104 1.00 0.00 H new ATOM 1904 N ALA A 126 7.616 -5.791 6.189 1.00 0.00 N ATOM 1905 CA ALA A 126 9.072 -5.698 6.180 1.00 0.00 C ATOM 1906 C ALA A 126 9.645 -6.846 5.353 1.00 0.00 C ATOM 1907 O ALA A 126 9.628 -8.006 5.784 1.00 0.00 O ATOM 1908 CB ALA A 126 9.623 -5.710 7.602 1.00 0.00 C ATOM 0 H ALA A 126 7.244 -6.537 6.777 1.00 0.00 H new ATOM 0 HA ALA A 126 9.372 -4.754 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.710 -5.640 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.220 -4.862 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.333 -6.637 8.097 1.00 0.00 H new ATOM 1914 N ARG A 127 10.139 -6.517 4.146 1.00 0.00 N ATOM 1915 CA ARG A 127 10.691 -7.527 3.237 1.00 0.00 C ATOM 1916 C ARG A 127 11.853 -7.002 2.386 1.00 0.00 C ATOM 1917 O ARG A 127 11.730 -5.983 1.687 1.00 0.00 O ATOM 1918 CB ARG A 127 9.586 -8.069 2.313 1.00 0.00 C ATOM 1919 CG ARG A 127 9.736 -9.548 1.972 1.00 0.00 C ATOM 1920 CD ARG A 127 8.623 -10.032 1.052 1.00 0.00 C ATOM 1921 NE ARG A 127 8.797 -9.562 -0.329 1.00 0.00 N ATOM 1922 CZ ARG A 127 8.065 -9.975 -1.374 1.00 0.00 C ATOM 1923 NH1 ARG A 127 7.093 -10.873 -1.223 1.00 0.00 N ATOM 1924 NH2 ARG A 127 8.310 -9.482 -2.580 1.00 0.00 N ATOM 0 H ARG A 127 10.166 -5.564 3.783 1.00 0.00 H new ATOM 0 HA ARG A 127 11.086 -8.324 3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.618 -7.912 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.583 -7.491 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.701 -9.715 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.730 -10.135 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.595 -11.122 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.663 -9.685 1.433 1.00 0.00 H new ATOM 0 HE ARG A 127 9.527 -8.872 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.894 -11.259 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 127 6.547 -11.174 -2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.051 -8.793 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.757 -9.792 -3.379 1.00 0.00 H new ATOM 1938 N VAL A 128 12.990 -7.693 2.492 1.00 0.00 N ATOM 1939 CA VAL A 128 14.175 -7.390 1.690 1.00 0.00 C ATOM 1940 C VAL A 128 14.591 -8.649 0.915 1.00 0.00 C ATOM 1941 O VAL A 128 15.173 -9.575 1.490 1.00 0.00 O ATOM 1942 CB VAL A 128 15.365 -6.794 2.525 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.608 -7.559 3.824 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.655 -6.721 1.706 1.00 0.00 C ATOM 0 H VAL A 128 13.114 -8.476 3.134 1.00 0.00 H new ATOM 0 HA VAL A 128 13.909 -6.600 0.988 1.00 0.00 H new ATOM 0 HB VAL A 128 15.066 -5.779 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.441 -7.106 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.711 -7.520 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.846 -8.598 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.453 -6.303 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.935 -7.722 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.497 -6.085 0.835 1.00 0.00 H new ATOM 1954 N VAL A 129 14.279 -8.673 -0.387 1.00 0.00 N ATOM 1955 CA VAL A 129 14.620 -9.811 -1.249 1.00 0.00 C ATOM 1956 C VAL A 129 16.051 -9.644 -1.768 1.00 0.00 C ATOM 1957 O VAL A 129 16.312 -8.813 -2.641 1.00 0.00 O ATOM 1958 CB VAL A 129 13.618 -9.987 -2.439 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.809 -11.335 -3.134 1.00 0.00 C ATOM 1960 CG2 VAL A 129 12.171 -9.850 -1.973 1.00 0.00 C ATOM 0 H VAL A 129 13.791 -7.917 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 129 14.547 -10.717 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 129 13.832 -9.192 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 129 13.098 -11.425 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.824 -11.402 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 129 13.641 -12.140 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.501 -9.977 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.956 -10.613 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 129 12.021 -8.862 -1.538 1.00 0.00 H new