USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 34 GLN : amide:sc= 0 X(o=-0.64,f=-0.81) USER MOD Set 1.2: A 45 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.34) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -1.91 F(o=-4,f=-3) USER MOD Set 2.2: A 28 THR OG1 : rot 129:sc= -1.08! USER MOD Set 3.1: A 19 SER OG : rot -161:sc= 1.07 USER MOD Set 3.2: A 103 GLN : amide:sc= -4.79! C(o=-3.7!,f=-8!) USER MOD Set 4.1: A 5 ASN : amide:sc= -3.56 K(o=-3.6,f=-4.4!) USER MOD Set 4.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -150:sc= -0.851 (180deg=-1.34) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 162:sc= -0.0761 (180deg=-0.428) USER MOD Single : A 10 LYS NZ :NH3+ -131:sc= -7.02! (180deg=-13.2!) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 0.0318 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -102:sc= -2.47! (180deg=-7.05!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.11 USER MOD Single : A 27 CYS SG : rot -150:sc= -5.24! USER MOD Single : A 36 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 37 TYR OH : rot -95:sc= 0.076 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.24) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= -0.0819 (180deg=-1.77!) USER MOD Single : A 54 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 66 CYS SG : rot 102:sc= 1.2 USER MOD Single : A 67 TYR OH : rot -81:sc= 1.04 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.92! X(o=-1.9!,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -178:sc= -1.07 (180deg=-1.2) USER MOD Single : A 82 THR OG1 : rot -20:sc= -1.01 USER MOD Single : A 104 TYR OH : rot -108:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.824 -10.318 -14.220 1.00 0.00 N ATOM 2 CA LEU A 1 -1.154 -9.237 -13.254 1.00 0.00 C ATOM 3 C LEU A 1 -0.776 -7.867 -13.810 1.00 0.00 C ATOM 4 O LEU A 1 0.275 -7.706 -14.428 1.00 0.00 O ATOM 5 CB LEU A 1 -0.403 -9.499 -11.946 1.00 0.00 C ATOM 6 CG LEU A 1 -0.333 -10.967 -11.520 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.404 -11.103 -10.196 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.730 -11.561 -11.419 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.491 -11.107 -14.100 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.894 -9.950 -15.190 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.145 -10.655 -14.047 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.229 -9.236 -13.075 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.613 -9.117 -12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.881 -8.928 -11.150 1.00 0.00 H new ATOM 0 HG LEU A 1 0.220 -11.520 -12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.444 -12.154 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.418 -10.717 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.121 -10.536 -9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.660 -12.605 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.309 -11.006 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.223 -11.498 -12.389 1.00 0.00 H new ATOM 22 N GLU A 2 -1.642 -6.883 -13.587 1.00 0.00 N ATOM 23 CA GLU A 2 -1.397 -5.528 -14.067 1.00 0.00 C ATOM 24 C GLU A 2 -0.588 -4.729 -13.055 1.00 0.00 C ATOM 25 O GLU A 2 -0.578 -5.043 -11.865 1.00 0.00 O ATOM 26 CB GLU A 2 -2.722 -4.808 -14.340 1.00 0.00 C ATOM 27 CG GLU A 2 -2.707 -3.964 -15.605 1.00 0.00 C ATOM 28 CD GLU A 2 -3.516 -4.582 -16.728 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.754 -4.672 -16.590 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.910 -4.979 -17.748 1.00 0.00 O ATOM 0 H GLU A 2 -2.518 -6.999 -13.078 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.828 -5.602 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.519 -5.548 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.961 -4.169 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.102 -2.973 -15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.677 -3.830 -15.936 1.00 0.00 H new ATOM 37 N LYS A 3 0.075 -3.683 -13.532 1.00 0.00 N ATOM 38 CA LYS A 3 0.866 -2.827 -12.665 1.00 0.00 C ATOM 39 C LYS A 3 0.974 -1.424 -13.243 1.00 0.00 C ATOM 40 O LYS A 3 1.331 -1.242 -14.408 1.00 0.00 O ATOM 41 CB LYS A 3 2.269 -3.400 -12.452 1.00 0.00 C ATOM 42 CG LYS A 3 2.290 -4.893 -12.176 1.00 0.00 C ATOM 43 CD LYS A 3 3.714 -5.403 -12.027 1.00 0.00 C ATOM 44 CE LYS A 3 3.780 -6.604 -11.103 1.00 0.00 C ATOM 45 NZ LYS A 3 4.793 -7.597 -11.555 1.00 0.00 N ATOM 0 H LYS A 3 0.079 -3.409 -14.515 1.00 0.00 H new ATOM 0 HA LYS A 3 0.357 -2.779 -11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.872 -3.196 -13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.740 -2.880 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.728 -5.106 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.794 -5.423 -12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.109 -5.674 -13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.348 -4.607 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.022 -6.272 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.801 -7.080 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.807 -8.402 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.549 -7.933 -12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.732 -7.150 -11.576 1.00 0.00 H new ATOM 59 N PHE A 4 0.675 -0.437 -12.415 1.00 0.00 N ATOM 60 CA PHE A 4 0.748 0.955 -12.821 1.00 0.00 C ATOM 61 C PHE A 4 1.398 1.771 -11.716 1.00 0.00 C ATOM 62 O PHE A 4 1.625 1.265 -10.619 1.00 0.00 O ATOM 63 CB PHE A 4 -0.648 1.501 -13.143 1.00 0.00 C ATOM 64 CG PHE A 4 -1.518 1.693 -11.934 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.138 0.612 -11.330 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.713 2.956 -11.400 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.935 0.786 -10.217 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.509 3.134 -10.289 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.122 2.050 -9.696 1.00 0.00 C ATOM 0 H PHE A 4 0.377 -0.577 -11.450 1.00 0.00 H new ATOM 0 HA PHE A 4 1.353 1.030 -13.725 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.544 2.455 -13.660 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.145 0.818 -13.832 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.996 -0.379 -11.735 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.237 3.810 -11.859 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.412 -0.066 -9.754 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.653 4.124 -9.882 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.747 2.190 -8.826 1.00 0.00 H new ATOM 79 N ASN A 5 1.702 3.028 -11.999 1.00 0.00 N ATOM 80 CA ASN A 5 2.333 3.885 -11.007 1.00 0.00 C ATOM 81 C ASN A 5 1.363 4.944 -10.499 1.00 0.00 C ATOM 82 O ASN A 5 0.650 5.577 -11.276 1.00 0.00 O ATOM 83 CB ASN A 5 3.577 4.554 -11.599 1.00 0.00 C ATOM 84 CG ASN A 5 4.838 4.225 -10.822 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.897 3.993 -11.406 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.731 4.205 -9.498 1.00 0.00 N ATOM 0 H ASN A 5 1.524 3.475 -12.899 1.00 0.00 H new ATOM 0 HA ASN A 5 2.629 3.262 -10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.699 4.236 -12.635 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.433 5.634 -11.612 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.546 3.991 -8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.834 4.403 -9.056 1.00 0.00 H new ATOM 93 N VAL A 6 1.355 5.132 -9.186 1.00 0.00 N ATOM 94 CA VAL A 6 0.492 6.120 -8.559 1.00 0.00 C ATOM 95 C VAL A 6 1.331 7.215 -7.932 1.00 0.00 C ATOM 96 O VAL A 6 1.974 7.005 -6.905 1.00 0.00 O ATOM 97 CB VAL A 6 -0.391 5.493 -7.463 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.469 6.467 -7.016 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.998 4.194 -7.943 1.00 0.00 C ATOM 0 H VAL A 6 1.940 4.610 -8.533 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.152 6.528 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 6 0.239 5.272 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.080 6.003 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.003 7.368 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.098 6.729 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.618 3.768 -7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.612 4.383 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.203 3.493 -8.198 1.00 0.00 H new ATOM 109 N ASP A 7 1.327 8.386 -8.550 1.00 0.00 N ATOM 110 CA ASP A 7 2.097 9.499 -8.031 1.00 0.00 C ATOM 111 C ASP A 7 1.184 10.633 -7.604 1.00 0.00 C ATOM 112 O ASP A 7 0.345 11.093 -8.377 1.00 0.00 O ATOM 113 CB ASP A 7 3.094 9.995 -9.082 1.00 0.00 C ATOM 114 CG ASP A 7 2.427 10.317 -10.404 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.856 11.420 -10.527 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.475 9.465 -11.317 1.00 0.00 O ATOM 0 H ASP A 7 0.804 8.587 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 7 2.649 9.152 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.600 10.885 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.860 9.235 -9.240 1.00 0.00 H new ATOM 121 N LEU A 8 1.358 11.090 -6.371 1.00 0.00 N ATOM 122 CA LEU A 8 0.551 12.183 -5.856 1.00 0.00 C ATOM 123 C LEU A 8 1.300 12.936 -4.770 1.00 0.00 C ATOM 124 O LEU A 8 2.264 12.428 -4.202 1.00 0.00 O ATOM 125 CB LEU A 8 -0.809 11.683 -5.337 1.00 0.00 C ATOM 126 CG LEU A 8 -0.779 10.588 -4.258 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.027 9.381 -4.713 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.242 11.137 -2.943 1.00 0.00 C ATOM 0 H LEU A 8 2.046 10.722 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 8 0.356 12.870 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.356 12.538 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.380 11.307 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.804 10.256 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.028 8.626 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.420 8.964 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.052 9.686 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.230 10.344 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.771 11.511 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.882 11.950 -2.600 1.00 0.00 H new ATOM 140 N MET A 9 0.865 14.155 -4.497 1.00 0.00 N ATOM 141 CA MET A 9 1.513 14.974 -3.487 1.00 0.00 C ATOM 142 C MET A 9 1.370 14.347 -2.112 1.00 0.00 C ATOM 143 O MET A 9 0.270 13.999 -1.683 1.00 0.00 O ATOM 144 CB MET A 9 0.923 16.385 -3.491 1.00 0.00 C ATOM 145 CG MET A 9 1.755 17.380 -4.286 1.00 0.00 C ATOM 146 SD MET A 9 2.558 18.613 -3.244 1.00 0.00 S ATOM 147 CE MET A 9 4.241 18.001 -3.234 1.00 0.00 C ATOM 0 H MET A 9 0.070 14.597 -4.958 1.00 0.00 H new ATOM 0 HA MET A 9 2.575 15.036 -3.726 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.084 16.350 -3.906 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.832 16.737 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.514 16.841 -4.853 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.115 17.884 -5.010 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.915 18.796 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.318 17.161 -2.544 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.515 17.674 -4.237 1.00 0.00 H new ATOM 157 N LYS A 10 2.495 14.196 -1.428 1.00 0.00 N ATOM 158 CA LYS A 10 2.504 13.601 -0.105 1.00 0.00 C ATOM 159 C LYS A 10 2.937 14.606 0.950 1.00 0.00 C ATOM 160 O LYS A 10 3.984 15.242 0.830 1.00 0.00 O ATOM 161 CB LYS A 10 3.431 12.389 -0.076 1.00 0.00 C ATOM 162 CG LYS A 10 2.718 11.098 0.281 1.00 0.00 C ATOM 163 CD LYS A 10 2.658 10.907 1.785 1.00 0.00 C ATOM 164 CE LYS A 10 1.291 11.271 2.342 1.00 0.00 C ATOM 165 NZ LYS A 10 1.388 12.198 3.500 1.00 0.00 N ATOM 0 H LYS A 10 3.413 14.479 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 10 1.487 13.283 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.903 12.278 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.229 12.567 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.708 11.111 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.236 10.254 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.887 9.870 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.421 11.523 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.692 11.733 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.771 10.363 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.803 11.839 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.378 12.263 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.050 13.141 3.219 1.00 0.00 H new ATOM 179 N LYS A 11 2.129 14.734 1.990 1.00 0.00 N ATOM 180 CA LYS A 11 2.436 15.651 3.084 1.00 0.00 C ATOM 181 C LYS A 11 2.518 14.906 4.419 1.00 0.00 C ATOM 182 O LYS A 11 1.677 15.081 5.300 1.00 0.00 O ATOM 183 CB LYS A 11 1.396 16.772 3.168 1.00 0.00 C ATOM 184 CG LYS A 11 0.810 17.172 1.823 1.00 0.00 C ATOM 185 CD LYS A 11 1.809 17.963 0.994 1.00 0.00 C ATOM 186 CE LYS A 11 1.110 18.814 -0.055 1.00 0.00 C ATOM 187 NZ LYS A 11 1.762 20.144 -0.214 1.00 0.00 N ATOM 0 H LYS A 11 1.257 14.217 2.103 1.00 0.00 H new ATOM 0 HA LYS A 11 3.409 16.096 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.587 16.455 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.856 17.647 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.508 16.279 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.088 17.769 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.401 18.603 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.502 17.278 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.116 18.290 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.066 18.952 0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.060 20.895 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.529 20.240 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.153 20.226 -1.174 1.00 0.00 H new ATOM 201 N ALA A 12 3.558 14.088 4.553 1.00 0.00 N ATOM 202 CA ALA A 12 3.810 13.312 5.769 1.00 0.00 C ATOM 203 C ALA A 12 2.554 12.649 6.348 1.00 0.00 C ATOM 204 O ALA A 12 1.873 13.225 7.197 1.00 0.00 O ATOM 205 CB ALA A 12 4.461 14.197 6.820 1.00 0.00 C ATOM 0 H ALA A 12 4.253 13.942 3.821 1.00 0.00 H new ATOM 0 HA ALA A 12 4.481 12.501 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.646 13.614 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.406 14.582 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.798 15.030 7.055 1.00 0.00 H new ATOM 211 N GLY A 13 2.280 11.419 5.902 1.00 0.00 N ATOM 212 CA GLY A 13 1.139 10.658 6.394 1.00 0.00 C ATOM 213 C GLY A 13 -0.109 11.487 6.622 1.00 0.00 C ATOM 214 O GLY A 13 -0.269 12.101 7.676 1.00 0.00 O ATOM 0 H GLY A 13 2.837 10.933 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.910 9.866 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.416 10.174 7.330 1.00 0.00 H new ATOM 218 N LYS A 14 -1.001 11.493 5.640 1.00 0.00 N ATOM 219 CA LYS A 14 -2.245 12.245 5.758 1.00 0.00 C ATOM 220 C LYS A 14 -3.360 11.660 4.877 1.00 0.00 C ATOM 221 O LYS A 14 -3.937 10.621 5.199 1.00 0.00 O ATOM 222 CB LYS A 14 -2.013 13.716 5.424 1.00 0.00 C ATOM 223 CG LYS A 14 -1.133 13.929 4.210 1.00 0.00 C ATOM 224 CD LYS A 14 -1.511 15.196 3.449 1.00 0.00 C ATOM 225 CE LYS A 14 -1.814 16.369 4.380 1.00 0.00 C ATOM 226 NZ LYS A 14 -0.914 16.404 5.570 1.00 0.00 N ATOM 0 H LYS A 14 -0.889 10.990 4.760 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.576 12.165 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.976 14.198 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.558 14.208 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.091 13.991 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.216 13.068 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.697 15.470 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.383 14.996 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.715 17.303 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.850 16.305 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.421 16.034 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.074 15.819 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.619 17.384 5.754 1.00 0.00 H new ATOM 240 N GLU A 15 -3.673 12.350 3.778 1.00 0.00 N ATOM 241 CA GLU A 15 -4.725 11.935 2.861 1.00 0.00 C ATOM 242 C GLU A 15 -4.372 10.665 2.084 1.00 0.00 C ATOM 243 O GLU A 15 -5.207 10.144 1.348 1.00 0.00 O ATOM 244 CB GLU A 15 -5.055 13.076 1.899 1.00 0.00 C ATOM 245 CG GLU A 15 -5.899 14.172 2.532 1.00 0.00 C ATOM 246 CD GLU A 15 -5.150 15.484 2.660 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.883 16.118 1.617 1.00 0.00 O ATOM 248 OE2 GLU A 15 -4.830 15.877 3.801 1.00 0.00 O ATOM 0 H GLU A 15 -3.201 13.212 3.503 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.601 11.696 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.126 13.510 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.584 12.672 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.796 14.327 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.228 13.848 3.519 1.00 0.00 H new ATOM 255 N LEU A 16 -3.145 10.161 2.232 1.00 0.00 N ATOM 256 CA LEU A 16 -2.747 8.946 1.514 1.00 0.00 C ATOM 257 C LEU A 16 -3.852 7.896 1.636 1.00 0.00 C ATOM 258 O LEU A 16 -4.113 7.133 0.707 1.00 0.00 O ATOM 259 CB LEU A 16 -1.430 8.398 2.071 1.00 0.00 C ATOM 260 CG LEU A 16 -0.201 8.630 1.184 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.044 8.048 1.836 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.406 8.024 -0.196 1.00 0.00 C ATOM 0 H LEU A 16 -2.423 10.564 2.829 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.596 9.189 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.248 8.854 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.542 7.327 2.237 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.065 9.705 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.907 8.222 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.208 8.528 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.911 6.976 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.479 8.202 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.572 6.951 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.272 8.485 -0.671 1.00 0.00 H new ATOM 274 N GLY A 17 -4.523 7.916 2.788 1.00 0.00 N ATOM 275 CA GLY A 17 -5.639 7.023 3.062 1.00 0.00 C ATOM 276 C GLY A 17 -5.636 5.726 2.274 1.00 0.00 C ATOM 277 O GLY A 17 -6.559 5.462 1.501 1.00 0.00 O ATOM 0 H GLY A 17 -4.305 8.553 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.640 6.784 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.568 7.554 2.854 1.00 0.00 H new ATOM 281 N LEU A 18 -4.620 4.905 2.488 1.00 0.00 N ATOM 282 CA LEU A 18 -4.532 3.618 1.811 1.00 0.00 C ATOM 283 C LEU A 18 -3.994 2.559 2.764 1.00 0.00 C ATOM 284 O LEU A 18 -2.783 2.373 2.885 1.00 0.00 O ATOM 285 CB LEU A 18 -3.652 3.716 0.566 1.00 0.00 C ATOM 286 CG LEU A 18 -2.249 4.281 0.809 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.184 3.236 0.508 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.023 5.528 -0.030 1.00 0.00 C ATOM 0 H LEU A 18 -3.847 5.105 3.122 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.533 3.327 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.557 2.723 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.157 4.342 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.171 4.553 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.196 3.661 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.330 2.371 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.262 2.927 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.021 5.915 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.126 5.279 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.760 6.285 0.238 1.00 0.00 H new ATOM 300 N SER A 19 -4.905 1.873 3.446 1.00 0.00 N ATOM 301 CA SER A 19 -4.530 0.836 4.398 1.00 0.00 C ATOM 302 C SER A 19 -3.752 -0.276 3.707 1.00 0.00 C ATOM 303 O SER A 19 -4.292 -1.000 2.870 1.00 0.00 O ATOM 304 CB SER A 19 -5.775 0.268 5.082 1.00 0.00 C ATOM 305 OG SER A 19 -5.552 -1.054 5.544 1.00 0.00 O ATOM 0 H SER A 19 -5.911 2.018 3.356 1.00 0.00 H new ATOM 0 HA SER A 19 -3.887 1.283 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.055 0.906 5.920 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.611 0.275 4.383 1.00 0.00 H new ATOM 0 HG SER A 19 -6.413 -1.495 5.701 1.00 0.00 H new ATOM 311 N LEU A 20 -2.477 -0.396 4.061 1.00 0.00 N ATOM 312 CA LEU A 20 -1.607 -1.410 3.476 1.00 0.00 C ATOM 313 C LEU A 20 -1.562 -2.670 4.333 1.00 0.00 C ATOM 314 O LEU A 20 -1.895 -2.645 5.517 1.00 0.00 O ATOM 315 CB LEU A 20 -0.195 -0.852 3.304 1.00 0.00 C ATOM 316 CG LEU A 20 -0.123 0.527 2.654 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.270 1.117 2.805 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.512 0.438 1.188 1.00 0.00 C ATOM 0 H LEU A 20 -2.022 0.199 4.753 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.016 -1.678 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.282 -0.801 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.386 -1.552 2.703 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.828 1.187 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.302 2.100 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.512 1.213 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.997 0.462 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.457 1.428 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.171 -0.236 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.530 0.057 1.104 1.00 0.00 H new ATOM 330 N SER A 21 -1.138 -3.770 3.719 1.00 0.00 N ATOM 331 CA SER A 21 -1.033 -5.049 4.410 1.00 0.00 C ATOM 332 C SER A 21 0.290 -5.732 4.062 1.00 0.00 C ATOM 333 O SER A 21 0.984 -5.313 3.138 1.00 0.00 O ATOM 334 CB SER A 21 -2.214 -5.950 4.040 1.00 0.00 C ATOM 335 OG SER A 21 -2.871 -6.431 5.200 1.00 0.00 O ATOM 0 H SER A 21 -0.860 -3.800 2.738 1.00 0.00 H new ATOM 0 HA SER A 21 -1.058 -4.869 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.920 -5.395 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.861 -6.791 3.443 1.00 0.00 H new ATOM 0 HG SER A 21 -3.622 -7.002 4.937 1.00 0.00 H new ATOM 341 N PRO A 22 0.662 -6.790 4.802 1.00 0.00 N ATOM 342 CA PRO A 22 1.914 -7.515 4.564 1.00 0.00 C ATOM 343 C PRO A 22 1.829 -8.468 3.373 1.00 0.00 C ATOM 344 O PRO A 22 1.006 -9.383 3.359 1.00 0.00 O ATOM 345 CB PRO A 22 2.109 -8.296 5.862 1.00 0.00 C ATOM 346 CG PRO A 22 0.726 -8.544 6.360 1.00 0.00 C ATOM 347 CD PRO A 22 -0.097 -7.356 5.935 1.00 0.00 C ATOM 0 HA PRO A 22 2.736 -6.842 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.641 -9.231 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.695 -7.726 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.322 -9.466 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.717 -8.655 7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.102 -7.652 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.206 -6.634 6.744 1.00 0.00 H new ATOM 355 N ASN A 23 2.689 -8.249 2.381 1.00 0.00 N ATOM 356 CA ASN A 23 2.717 -9.090 1.190 1.00 0.00 C ATOM 357 C ASN A 23 4.141 -9.521 0.852 1.00 0.00 C ATOM 358 O ASN A 23 5.110 -8.931 1.330 1.00 0.00 O ATOM 359 CB ASN A 23 2.097 -8.359 -0.004 1.00 0.00 C ATOM 360 CG ASN A 23 0.984 -9.159 -0.645 1.00 0.00 C ATOM 361 OD1 ASN A 23 -0.022 -9.506 0.147 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 1.025 -9.464 -1.837 1.00 0.00 N flip ATOM 0 H ASN A 23 3.376 -7.495 2.380 1.00 0.00 H new ATOM 0 HA ASN A 23 2.128 -9.982 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.708 -7.395 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.870 -8.155 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.818 -9.176 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.266 -10.004 -2.252 1.00 0.00 H new ATOM 369 N GLU A 24 4.255 -10.556 0.026 1.00 0.00 N ATOM 370 CA GLU A 24 5.556 -11.076 -0.382 1.00 0.00 C ATOM 371 C GLU A 24 6.190 -10.192 -1.449 1.00 0.00 C ATOM 372 O GLU A 24 7.413 -10.058 -1.515 1.00 0.00 O ATOM 373 CB GLU A 24 5.404 -12.499 -0.920 1.00 0.00 C ATOM 374 CG GLU A 24 4.570 -12.581 -2.189 1.00 0.00 C ATOM 375 CD GLU A 24 4.019 -13.973 -2.435 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.256 -14.469 -1.581 1.00 0.00 O ATOM 377 OE2 GLU A 24 4.354 -14.565 -3.483 1.00 0.00 O ATOM 0 H GLU A 24 3.460 -11.053 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 24 6.207 -11.082 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.393 -12.912 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.946 -13.122 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.744 -11.873 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.180 -12.280 -3.041 1.00 0.00 H new ATOM 384 N ILE A 25 5.352 -9.603 -2.292 1.00 0.00 N ATOM 385 CA ILE A 25 5.829 -8.743 -3.371 1.00 0.00 C ATOM 386 C ILE A 25 5.702 -7.265 -3.019 1.00 0.00 C ATOM 387 O ILE A 25 6.141 -6.400 -3.777 1.00 0.00 O ATOM 388 CB ILE A 25 5.060 -9.015 -4.677 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.556 -8.793 -4.465 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.341 -10.430 -5.159 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.683 -9.411 -5.538 1.00 0.00 C ATOM 0 H ILE A 25 4.338 -9.704 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 25 6.884 -8.979 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 25 5.398 -8.318 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.271 -9.206 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.360 -7.722 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.794 -10.615 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.409 -10.547 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.022 -11.143 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.635 -9.210 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.937 -8.981 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.847 -10.488 -5.565 1.00 0.00 H new ATOM 403 N GLY A 26 5.104 -6.976 -1.870 1.00 0.00 N ATOM 404 CA GLY A 26 4.939 -5.599 -1.449 1.00 0.00 C ATOM 405 C GLY A 26 3.957 -5.468 -0.305 1.00 0.00 C ATOM 406 O GLY A 26 4.097 -6.136 0.720 1.00 0.00 O ATOM 0 H GLY A 26 4.731 -7.670 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.905 -5.195 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.594 -5.001 -2.293 1.00 0.00 H new ATOM 410 N CYS A 27 2.958 -4.612 -0.478 1.00 0.00 N ATOM 411 CA CYS A 27 1.952 -4.411 0.555 1.00 0.00 C ATOM 412 C CYS A 27 0.561 -4.259 -0.053 1.00 0.00 C ATOM 413 O CYS A 27 0.233 -3.224 -0.631 1.00 0.00 O ATOM 414 CB CYS A 27 2.293 -3.181 1.400 1.00 0.00 C ATOM 415 SG CYS A 27 2.426 -1.648 0.454 1.00 0.00 S ATOM 0 H CYS A 27 2.824 -4.050 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 27 1.950 -5.293 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.528 -3.057 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.236 -3.359 1.917 1.00 0.00 H new ATOM 0 HG CYS A 27 3.277 -0.854 1.032 1.00 0.00 H new ATOM 421 N THR A 28 -0.254 -5.299 0.089 1.00 0.00 N ATOM 422 CA THR A 28 -1.611 -5.283 -0.439 1.00 0.00 C ATOM 423 C THR A 28 -2.478 -4.297 0.333 1.00 0.00 C ATOM 424 O THR A 28 -2.498 -4.305 1.563 1.00 0.00 O ATOM 425 CB THR A 28 -2.229 -6.683 -0.364 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.460 -7.619 -1.099 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.647 -6.741 -0.893 1.00 0.00 C ATOM 0 H THR A 28 0.003 -6.163 0.566 1.00 0.00 H new ATOM 0 HA THR A 28 -1.565 -4.968 -1.482 1.00 0.00 H new ATOM 0 HB THR A 28 -2.240 -6.932 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.269 -8.398 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.025 -7.760 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.280 -6.071 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.658 -6.433 -1.939 1.00 0.00 H new ATOM 435 N ILE A 29 -3.196 -3.450 -0.396 1.00 0.00 N ATOM 436 CA ILE A 29 -4.067 -2.466 0.230 1.00 0.00 C ATOM 437 C ILE A 29 -5.293 -3.141 0.832 1.00 0.00 C ATOM 438 O ILE A 29 -6.206 -3.546 0.111 1.00 0.00 O ATOM 439 CB ILE A 29 -4.524 -1.394 -0.777 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.315 -0.784 -1.491 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.332 -0.314 -0.072 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.619 -0.317 -2.897 1.00 0.00 C ATOM 0 H ILE A 29 -3.192 -3.426 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.491 -1.982 1.019 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.162 -1.867 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.946 0.060 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.513 -1.522 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.648 0.436 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.211 -0.762 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.717 0.158 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.718 0.104 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.960 -1.162 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.399 0.444 -2.867 1.00 0.00 H new ATOM 454 N ALA A 30 -5.308 -3.261 2.154 1.00 0.00 N ATOM 455 CA ALA A 30 -6.422 -3.891 2.846 1.00 0.00 C ATOM 456 C ALA A 30 -7.643 -2.979 2.875 1.00 0.00 C ATOM 457 O ALA A 30 -8.774 -3.449 2.995 1.00 0.00 O ATOM 458 CB ALA A 30 -6.017 -4.278 4.260 1.00 0.00 C ATOM 0 H ALA A 30 -4.562 -2.930 2.766 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.690 -4.793 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.861 -4.748 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.182 -4.978 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.717 -3.386 4.810 1.00 0.00 H new ATOM 464 N ASP A 31 -7.415 -1.672 2.761 1.00 0.00 N ATOM 465 CA ASP A 31 -8.509 -0.709 2.774 1.00 0.00 C ATOM 466 C ASP A 31 -8.107 0.592 2.098 1.00 0.00 C ATOM 467 O ASP A 31 -6.926 0.845 1.861 1.00 0.00 O ATOM 468 CB ASP A 31 -8.957 -0.423 4.208 1.00 0.00 C ATOM 469 CG ASP A 31 -10.251 -1.126 4.561 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.236 -2.368 4.692 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.281 -0.435 4.706 1.00 0.00 O ATOM 0 H ASP A 31 -6.488 -1.259 2.659 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.338 -1.148 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.175 -0.738 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.084 0.652 4.338 1.00 0.00 H new ATOM 476 N LEU A 32 -9.101 1.415 1.794 1.00 0.00 N ATOM 477 CA LEU A 32 -8.865 2.687 1.154 1.00 0.00 C ATOM 478 C LEU A 32 -9.970 3.683 1.479 1.00 0.00 C ATOM 479 O LEU A 32 -11.152 3.407 1.271 1.00 0.00 O ATOM 480 CB LEU A 32 -8.746 2.499 -0.356 1.00 0.00 C ATOM 481 CG LEU A 32 -7.505 3.135 -0.959 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.652 2.095 -1.674 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.882 4.268 -1.901 1.00 0.00 C ATOM 0 H LEU A 32 -10.083 1.216 1.985 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.928 3.091 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.741 1.432 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.629 2.922 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.912 3.554 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.770 2.576 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.342 1.328 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.233 1.635 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.978 4.708 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.504 3.879 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.435 5.030 -1.351 1.00 0.00 H new ATOM 495 N ILE A 33 -9.573 4.842 1.987 1.00 0.00 N ATOM 496 CA ILE A 33 -10.522 5.887 2.336 1.00 0.00 C ATOM 497 C ILE A 33 -10.630 6.911 1.214 1.00 0.00 C ATOM 498 O ILE A 33 -9.775 7.783 1.067 1.00 0.00 O ATOM 499 CB ILE A 33 -10.129 6.602 3.645 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.667 7.048 3.607 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.386 5.709 4.839 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.156 7.564 4.935 1.00 0.00 C ATOM 0 H ILE A 33 -8.598 5.081 2.166 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.488 5.405 2.484 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.750 7.492 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.048 6.209 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.554 7.829 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.102 6.232 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.445 5.454 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.796 4.797 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.113 7.862 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.750 8.424 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.237 6.778 5.686 1.00 0.00 H new ATOM 514 N GLN A 34 -11.683 6.788 0.419 1.00 0.00 N ATOM 515 CA GLN A 34 -11.905 7.695 -0.699 1.00 0.00 C ATOM 516 C GLN A 34 -12.237 9.097 -0.206 1.00 0.00 C ATOM 517 O GLN A 34 -12.729 9.274 0.910 1.00 0.00 O ATOM 518 CB GLN A 34 -13.022 7.161 -1.597 1.00 0.00 C ATOM 519 CG GLN A 34 -12.704 5.802 -2.201 1.00 0.00 C ATOM 520 CD GLN A 34 -13.784 5.317 -3.149 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.960 5.643 -2.986 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.389 4.534 -4.146 1.00 0.00 N ATOM 0 H GLN A 34 -12.398 6.069 0.527 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.986 7.754 -1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.942 7.088 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.207 7.875 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.756 5.859 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.575 5.074 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.403 4.289 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.071 4.177 -4.815 1.00 0.00 H new ATOM 531 N GLY A 35 -11.949 10.094 -1.035 1.00 0.00 N ATOM 532 CA GLY A 35 -12.206 11.471 -0.659 1.00 0.00 C ATOM 533 C GLY A 35 -10.972 12.136 -0.075 1.00 0.00 C ATOM 534 O GLY A 35 -10.865 13.363 -0.061 1.00 0.00 O ATOM 0 H GLY A 35 -11.541 9.973 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.541 12.030 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.016 11.504 0.070 1.00 0.00 H new ATOM 538 N GLN A 36 -10.037 11.317 0.400 1.00 0.00 N ATOM 539 CA GLN A 36 -8.799 11.811 0.986 1.00 0.00 C ATOM 540 C GLN A 36 -7.880 12.382 -0.087 1.00 0.00 C ATOM 541 O GLN A 36 -7.381 13.500 0.043 1.00 0.00 O ATOM 542 CB GLN A 36 -8.102 10.682 1.750 1.00 0.00 C ATOM 543 CG GLN A 36 -8.516 10.586 3.209 1.00 0.00 C ATOM 544 CD GLN A 36 -10.019 10.478 3.383 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.716 9.922 2.534 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.524 11.012 4.488 1.00 0.00 N ATOM 0 H GLN A 36 -10.117 10.300 0.389 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.037 12.615 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.318 9.734 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.024 10.831 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.038 9.717 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.154 11.464 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.908 11.463 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.528 10.971 4.661 1.00 0.00 H new ATOM 555 N TYR A 37 -7.666 11.621 -1.150 1.00 0.00 N ATOM 556 CA TYR A 37 -6.811 12.069 -2.239 1.00 0.00 C ATOM 557 C TYR A 37 -7.440 11.739 -3.591 1.00 0.00 C ATOM 558 O TYR A 37 -8.019 10.667 -3.774 1.00 0.00 O ATOM 559 CB TYR A 37 -5.430 11.425 -2.127 1.00 0.00 C ATOM 560 CG TYR A 37 -4.403 12.265 -1.392 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.359 13.648 -1.538 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.458 11.666 -0.572 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.402 14.404 -0.887 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.501 12.414 0.086 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.474 13.782 -0.078 1.00 0.00 C ATOM 566 OH TYR A 37 -1.519 14.534 0.570 1.00 0.00 O ATOM 0 H TYR A 37 -8.071 10.694 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.702 13.151 -2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.530 10.467 -1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.058 11.215 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.084 14.139 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.471 10.594 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.381 15.477 -1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.778 11.929 0.725 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.697 14.549 0.037 1.00 0.00 H new ATOM 576 N PRO A 38 -7.338 12.666 -4.562 1.00 0.00 N ATOM 577 CA PRO A 38 -7.904 12.475 -5.900 1.00 0.00 C ATOM 578 C PRO A 38 -7.159 11.417 -6.710 1.00 0.00 C ATOM 579 O PRO A 38 -7.772 10.532 -7.304 1.00 0.00 O ATOM 580 CB PRO A 38 -7.752 13.851 -6.550 1.00 0.00 C ATOM 581 CG PRO A 38 -6.613 14.487 -5.836 1.00 0.00 C ATOM 582 CD PRO A 38 -6.669 13.974 -4.426 1.00 0.00 C ATOM 0 HA PRO A 38 -8.933 12.119 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.550 13.764 -7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.663 14.440 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.665 14.229 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.696 15.574 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.673 13.872 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.230 14.646 -3.776 1.00 0.00 H new ATOM 590 N GLU A 39 -5.833 11.515 -6.732 1.00 0.00 N ATOM 591 CA GLU A 39 -5.012 10.563 -7.475 1.00 0.00 C ATOM 592 C GLU A 39 -5.227 9.148 -6.957 1.00 0.00 C ATOM 593 O GLU A 39 -5.480 8.225 -7.731 1.00 0.00 O ATOM 594 CB GLU A 39 -3.533 10.938 -7.369 1.00 0.00 C ATOM 595 CG GLU A 39 -3.100 11.992 -8.373 1.00 0.00 C ATOM 596 CD GLU A 39 -3.021 11.453 -9.788 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.647 10.406 -10.060 1.00 0.00 O ATOM 598 OE2 GLU A 39 -2.334 12.075 -10.624 1.00 0.00 O ATOM 0 H GLU A 39 -5.305 12.240 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.312 10.600 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.330 11.302 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.928 10.042 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.802 12.825 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.126 12.386 -8.083 1.00 0.00 H new ATOM 605 N ILE A 40 -5.125 8.982 -5.643 1.00 0.00 N ATOM 606 CA ILE A 40 -5.311 7.678 -5.021 1.00 0.00 C ATOM 607 C ILE A 40 -6.677 7.099 -5.370 1.00 0.00 C ATOM 608 O ILE A 40 -6.789 5.936 -5.758 1.00 0.00 O ATOM 609 CB ILE A 40 -5.173 7.758 -3.490 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.922 8.560 -3.111 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.126 6.360 -2.891 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.548 8.454 -1.650 1.00 0.00 C ATOM 0 H ILE A 40 -4.914 9.735 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.530 7.025 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.043 8.273 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.084 8.216 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.085 9.609 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.028 6.431 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.044 5.827 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.272 5.819 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.654 9.048 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.368 8.826 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.352 7.412 -1.399 1.00 0.00 H new ATOM 624 N ASP A 41 -7.714 7.922 -5.238 1.00 0.00 N ATOM 625 CA ASP A 41 -9.072 7.494 -5.548 1.00 0.00 C ATOM 626 C ASP A 41 -9.197 7.139 -7.025 1.00 0.00 C ATOM 627 O ASP A 41 -9.990 6.277 -7.403 1.00 0.00 O ATOM 628 CB ASP A 41 -10.069 8.597 -5.188 1.00 0.00 C ATOM 629 CG ASP A 41 -10.404 8.613 -3.711 1.00 0.00 C ATOM 630 OD1 ASP A 41 -9.540 8.212 -2.902 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.528 9.028 -3.361 1.00 0.00 O ATOM 0 H ASP A 41 -7.638 8.888 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.297 6.606 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.656 9.564 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.984 8.458 -5.764 1.00 0.00 H new ATOM 636 N SER A 42 -8.403 7.808 -7.856 1.00 0.00 N ATOM 637 CA SER A 42 -8.414 7.569 -9.294 1.00 0.00 C ATOM 638 C SER A 42 -7.296 6.610 -9.700 1.00 0.00 C ATOM 639 O SER A 42 -7.114 6.327 -10.884 1.00 0.00 O ATOM 640 CB SER A 42 -8.252 8.887 -10.049 1.00 0.00 C ATOM 641 OG SER A 42 -9.499 9.539 -10.214 1.00 0.00 O ATOM 0 H SER A 42 -7.741 8.523 -7.555 1.00 0.00 H new ATOM 0 HA SER A 42 -9.372 7.117 -9.551 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.567 9.538 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.806 8.698 -11.025 1.00 0.00 H new ATOM 0 HG SER A 42 -9.367 10.380 -10.699 1.00 0.00 H new ATOM 647 N LYS A 43 -6.540 6.129 -8.718 1.00 0.00 N ATOM 648 CA LYS A 43 -5.435 5.222 -8.987 1.00 0.00 C ATOM 649 C LYS A 43 -5.521 3.968 -8.126 1.00 0.00 C ATOM 650 O LYS A 43 -5.842 2.885 -8.616 1.00 0.00 O ATOM 651 CB LYS A 43 -4.107 5.935 -8.731 1.00 0.00 C ATOM 652 CG LYS A 43 -3.768 6.975 -9.785 1.00 0.00 C ATOM 653 CD LYS A 43 -2.428 6.700 -10.447 1.00 0.00 C ATOM 654 CE LYS A 43 -2.600 6.294 -11.902 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.340 6.458 -12.678 1.00 0.00 N ATOM 0 H LYS A 43 -6.674 6.353 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.495 4.918 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.144 6.417 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.308 5.195 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.551 6.991 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.749 7.963 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.802 7.590 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.909 5.909 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.925 5.255 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.387 6.896 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.513 6.219 -13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.016 7.444 -12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.610 5.826 -12.292 1.00 0.00 H new ATOM 669 N LEU A 44 -5.219 4.119 -6.842 1.00 0.00 N ATOM 670 CA LEU A 44 -5.244 2.995 -5.912 1.00 0.00 C ATOM 671 C LEU A 44 -6.672 2.604 -5.545 1.00 0.00 C ATOM 672 O LEU A 44 -7.586 3.428 -5.583 1.00 0.00 O ATOM 673 CB LEU A 44 -4.451 3.337 -4.649 1.00 0.00 C ATOM 674 CG LEU A 44 -2.960 3.600 -4.875 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.225 3.678 -3.547 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.355 2.517 -5.756 1.00 0.00 C ATOM 0 H LEU A 44 -4.954 5.009 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.781 2.142 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.895 4.219 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.557 2.517 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.853 4.558 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.167 3.865 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.640 4.489 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.340 2.736 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.295 2.720 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.474 1.547 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.863 2.507 -6.721 1.00 0.00 H new ATOM 688 N GLN A 45 -6.849 1.336 -5.190 1.00 0.00 N ATOM 689 CA GLN A 45 -8.157 0.816 -4.813 1.00 0.00 C ATOM 690 C GLN A 45 -8.010 -0.354 -3.843 1.00 0.00 C ATOM 691 O GLN A 45 -6.902 -0.686 -3.422 1.00 0.00 O ATOM 692 CB GLN A 45 -8.932 0.375 -6.059 1.00 0.00 C ATOM 693 CG GLN A 45 -10.252 1.105 -6.241 1.00 0.00 C ATOM 694 CD GLN A 45 -10.068 2.530 -6.722 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.497 3.480 -6.065 1.00 0.00 O ATOM 696 NE2 GLN A 45 -9.429 2.689 -7.876 1.00 0.00 N ATOM 0 H GLN A 45 -6.098 0.647 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.713 1.610 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.311 0.538 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.124 -0.696 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.868 0.561 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.793 1.112 -5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.090 1.874 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.277 3.626 -8.250 1.00 0.00 H new ATOM 705 N ARG A 46 -9.130 -0.972 -3.490 1.00 0.00 N ATOM 706 CA ARG A 46 -9.119 -2.102 -2.568 1.00 0.00 C ATOM 707 C ARG A 46 -8.889 -3.414 -3.313 1.00 0.00 C ATOM 708 O ARG A 46 -9.837 -4.093 -3.702 1.00 0.00 O ATOM 709 CB ARG A 46 -10.436 -2.165 -1.793 1.00 0.00 C ATOM 710 CG ARG A 46 -10.473 -1.242 -0.586 1.00 0.00 C ATOM 711 CD ARG A 46 -11.845 -0.608 -0.411 1.00 0.00 C ATOM 712 NE ARG A 46 -12.752 -1.464 0.348 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.071 -1.292 0.393 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.640 -0.298 -0.276 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.823 -2.116 1.109 1.00 0.00 N ATOM 0 H ARG A 46 -10.057 -0.711 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.298 -1.958 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.256 -1.907 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.605 -3.190 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.214 -1.804 0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.722 -0.461 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.739 0.350 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.276 -0.402 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.351 -2.240 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.066 0.339 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.651 -0.171 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.391 -2.882 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.834 -1.984 1.143 1.00 0.00 H new ATOM 729 N GLY A 47 -7.621 -3.765 -3.504 1.00 0.00 N ATOM 730 CA GLY A 47 -7.288 -4.995 -4.198 1.00 0.00 C ATOM 731 C GLY A 47 -6.035 -4.869 -5.044 1.00 0.00 C ATOM 732 O GLY A 47 -5.994 -5.348 -6.177 1.00 0.00 O ATOM 0 H GLY A 47 -6.818 -3.219 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.150 -5.793 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.124 -5.286 -4.835 1.00 0.00 H new ATOM 736 N ASP A 48 -5.011 -4.227 -4.492 1.00 0.00 N ATOM 737 CA ASP A 48 -3.752 -4.042 -5.205 1.00 0.00 C ATOM 738 C ASP A 48 -2.570 -4.168 -4.251 1.00 0.00 C ATOM 739 O ASP A 48 -2.712 -3.976 -3.045 1.00 0.00 O ATOM 740 CB ASP A 48 -3.726 -2.677 -5.894 1.00 0.00 C ATOM 741 CG ASP A 48 -4.111 -2.764 -7.358 1.00 0.00 C ATOM 742 OD1 ASP A 48 -3.226 -3.058 -8.188 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.299 -2.537 -7.674 1.00 0.00 O ATOM 0 H ASP A 48 -5.028 -3.826 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.671 -4.821 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.409 -2.000 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.728 -2.248 -5.808 1.00 0.00 H new ATOM 748 N ILE A 49 -1.404 -4.495 -4.799 1.00 0.00 N ATOM 749 CA ILE A 49 -0.199 -4.653 -3.994 1.00 0.00 C ATOM 750 C ILE A 49 0.927 -3.759 -4.499 1.00 0.00 C ATOM 751 O ILE A 49 1.394 -3.915 -5.627 1.00 0.00 O ATOM 752 CB ILE A 49 0.298 -6.113 -3.994 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.884 -7.086 -3.944 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.247 -6.350 -2.827 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.075 -7.868 -5.223 1.00 0.00 C ATOM 0 H ILE A 49 -1.269 -4.656 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.469 -4.364 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 49 0.844 -6.294 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.736 -7.784 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.795 -6.528 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.589 -7.385 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.105 -5.683 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.727 -6.152 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.929 -8.537 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.255 -7.178 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.179 -8.454 -5.429 1.00 0.00 H new ATOM 767 N ILE A 50 1.369 -2.834 -3.657 1.00 0.00 N ATOM 768 CA ILE A 50 2.450 -1.933 -4.027 1.00 0.00 C ATOM 769 C ILE A 50 3.783 -2.663 -4.001 1.00 0.00 C ATOM 770 O ILE A 50 4.371 -2.874 -2.939 1.00 0.00 O ATOM 771 CB ILE A 50 2.526 -0.714 -3.093 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.154 -0.054 -2.973 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.554 0.284 -3.605 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.875 0.500 -1.599 1.00 0.00 C ATOM 0 H ILE A 50 0.997 -2.689 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 50 2.239 -1.581 -5.037 1.00 0.00 H new ATOM 0 HB ILE A 50 2.837 -1.051 -2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.081 0.752 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.385 -0.784 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.595 1.141 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.534 -0.192 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.270 0.619 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.116 0.954 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.916 -0.306 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.623 1.253 -1.352 1.00 0.00 H new ATOM 786 N THR A 51 4.252 -3.054 -5.176 1.00 0.00 N ATOM 787 CA THR A 51 5.517 -3.772 -5.292 1.00 0.00 C ATOM 788 C THR A 51 6.680 -2.813 -5.558 1.00 0.00 C ATOM 789 O THR A 51 7.838 -3.224 -5.593 1.00 0.00 O ATOM 790 CB THR A 51 5.431 -4.821 -6.403 1.00 0.00 C ATOM 791 OG1 THR A 51 5.570 -4.217 -7.677 1.00 0.00 O ATOM 792 CG2 THR A 51 4.129 -5.593 -6.399 1.00 0.00 C ATOM 0 H THR A 51 3.778 -2.888 -6.064 1.00 0.00 H new ATOM 0 HA THR A 51 5.706 -4.273 -4.343 1.00 0.00 H new ATOM 0 HB THR A 51 6.247 -5.516 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.514 -4.905 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.134 -6.320 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.017 -6.113 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.296 -4.903 -6.535 1.00 0.00 H new ATOM 800 N LYS A 52 6.362 -1.531 -5.731 1.00 0.00 N ATOM 801 CA LYS A 52 7.375 -0.513 -5.978 1.00 0.00 C ATOM 802 C LYS A 52 6.979 0.795 -5.302 1.00 0.00 C ATOM 803 O LYS A 52 5.796 1.127 -5.221 1.00 0.00 O ATOM 804 CB LYS A 52 7.566 -0.293 -7.480 1.00 0.00 C ATOM 805 CG LYS A 52 8.926 -0.740 -7.991 1.00 0.00 C ATOM 806 CD LYS A 52 9.692 0.409 -8.627 1.00 0.00 C ATOM 807 CE LYS A 52 11.159 0.060 -8.821 1.00 0.00 C ATOM 808 NZ LYS A 52 11.820 0.959 -9.808 1.00 0.00 N ATOM 0 H LYS A 52 5.407 -1.174 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 52 8.320 -0.858 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.788 -0.833 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.433 0.765 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.507 -1.153 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.796 -1.539 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.245 0.657 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.608 1.296 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.677 0.128 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.245 -0.973 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.127 0.404 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.149 1.692 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.647 1.410 -9.367 1.00 0.00 H new ATOM 822 N PHE A 53 7.969 1.526 -4.809 1.00 0.00 N ATOM 823 CA PHE A 53 7.709 2.788 -4.130 1.00 0.00 C ATOM 824 C PHE A 53 8.887 3.746 -4.278 1.00 0.00 C ATOM 825 O PHE A 53 9.948 3.539 -3.689 1.00 0.00 O ATOM 826 CB PHE A 53 7.418 2.525 -2.652 1.00 0.00 C ATOM 827 CG PHE A 53 7.159 3.766 -1.849 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.213 4.505 -1.337 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.865 4.189 -1.602 1.00 0.00 C ATOM 830 CE1 PHE A 53 7.979 5.645 -0.594 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.624 5.327 -0.859 1.00 0.00 C ATOM 832 CZ PHE A 53 6.682 6.057 -0.355 1.00 0.00 C ATOM 0 H PHE A 53 8.954 1.269 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 53 6.840 3.257 -4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.552 1.868 -2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.263 1.992 -2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.228 4.186 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.034 3.622 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.808 6.214 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.609 5.646 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.496 6.949 0.225 1.00 0.00 H new ATOM 842 N ASN A 54 8.691 4.793 -5.076 1.00 0.00 N ATOM 843 CA ASN A 54 9.734 5.787 -5.310 1.00 0.00 C ATOM 844 C ASN A 54 11.028 5.119 -5.772 1.00 0.00 C ATOM 845 O ASN A 54 12.094 5.333 -5.194 1.00 0.00 O ATOM 846 CB ASN A 54 9.979 6.607 -4.039 1.00 0.00 C ATOM 847 CG ASN A 54 9.457 8.025 -4.157 1.00 0.00 C ATOM 848 OD1 ASN A 54 10.082 8.879 -4.786 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.305 8.284 -3.549 1.00 0.00 N ATOM 0 H ASN A 54 7.818 4.975 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 54 9.398 6.458 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.498 6.115 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.048 6.633 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.905 9.221 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.821 7.546 -3.038 1.00 0.00 H new ATOM 856 N GLY A 55 10.924 4.301 -6.814 1.00 0.00 N ATOM 857 CA GLY A 55 12.089 3.609 -7.329 1.00 0.00 C ATOM 858 C GLY A 55 12.682 2.649 -6.318 1.00 0.00 C ATOM 859 O GLY A 55 13.866 2.317 -6.385 1.00 0.00 O ATOM 0 H GLY A 55 10.054 4.106 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.814 3.060 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.844 4.340 -7.619 1.00 0.00 H new ATOM 863 N ASP A 56 11.856 2.198 -5.377 1.00 0.00 N ATOM 864 CA ASP A 56 12.302 1.270 -4.347 1.00 0.00 C ATOM 865 C ASP A 56 11.443 0.013 -4.348 1.00 0.00 C ATOM 866 O ASP A 56 10.351 -0.005 -3.780 1.00 0.00 O ATOM 867 CB ASP A 56 12.253 1.936 -2.972 1.00 0.00 C ATOM 868 CG ASP A 56 13.062 1.183 -1.934 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.850 -0.039 -1.789 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.908 1.815 -1.268 1.00 0.00 O ATOM 0 H ASP A 56 10.873 2.462 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 56 13.332 0.988 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.630 2.956 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.217 2.004 -2.641 1.00 0.00 H new ATOM 875 N ALA A 57 11.941 -1.038 -4.993 1.00 0.00 N ATOM 876 CA ALA A 57 11.218 -2.300 -5.071 1.00 0.00 C ATOM 877 C ALA A 57 10.801 -2.788 -3.688 1.00 0.00 C ATOM 878 O ALA A 57 11.644 -3.123 -2.857 1.00 0.00 O ATOM 879 CB ALA A 57 12.069 -3.351 -5.768 1.00 0.00 C ATOM 0 H ALA A 57 12.843 -1.039 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 57 10.312 -2.133 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.517 -4.290 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.309 -3.015 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.991 -3.503 -5.207 1.00 0.00 H new ATOM 885 N LEU A 58 9.494 -2.831 -3.453 1.00 0.00 N ATOM 886 CA LEU A 58 8.962 -3.285 -2.173 1.00 0.00 C ATOM 887 C LEU A 58 8.752 -4.801 -2.173 1.00 0.00 C ATOM 888 O LEU A 58 8.114 -5.346 -1.273 1.00 0.00 O ATOM 889 CB LEU A 58 7.642 -2.570 -1.863 1.00 0.00 C ATOM 890 CG LEU A 58 7.637 -1.063 -2.141 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.215 -0.515 -2.130 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.499 -0.330 -1.123 1.00 0.00 C ATOM 0 H LEU A 58 8.784 -2.557 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 58 9.689 -3.041 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.849 -3.034 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.398 -2.731 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 58 8.058 -0.898 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.236 0.556 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.626 -1.016 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.764 -0.693 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.484 0.739 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.108 -0.506 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.524 -0.697 -1.182 1.00 0.00 H new ATOM 904 N GLU A 59 9.295 -5.476 -3.186 1.00 0.00 N ATOM 905 CA GLU A 59 9.169 -6.924 -3.299 1.00 0.00 C ATOM 906 C GLU A 59 10.095 -7.634 -2.318 1.00 0.00 C ATOM 907 O GLU A 59 11.216 -7.189 -2.073 1.00 0.00 O ATOM 908 CB GLU A 59 9.485 -7.372 -4.728 1.00 0.00 C ATOM 909 CG GLU A 59 8.703 -8.598 -5.170 1.00 0.00 C ATOM 910 CD GLU A 59 9.181 -9.145 -6.500 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.379 -9.476 -6.611 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.355 -9.243 -7.433 1.00 0.00 O ATOM 0 H GLU A 59 9.826 -5.040 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 59 8.141 -7.192 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.273 -6.550 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.551 -7.584 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.790 -9.374 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.646 -8.343 -5.245 1.00 0.00 H new ATOM 919 N GLY A 60 9.618 -8.743 -1.762 1.00 0.00 N ATOM 920 CA GLY A 60 10.415 -9.502 -0.815 1.00 0.00 C ATOM 921 C GLY A 60 10.756 -8.711 0.431 1.00 0.00 C ATOM 922 O GLY A 60 11.745 -9.002 1.107 1.00 0.00 O ATOM 0 H GLY A 60 8.693 -9.130 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.872 -10.403 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.337 -9.824 -1.299 1.00 0.00 H new ATOM 926 N LEU A 61 9.939 -7.709 0.742 1.00 0.00 N ATOM 927 CA LEU A 61 10.167 -6.877 1.918 1.00 0.00 C ATOM 928 C LEU A 61 8.978 -6.957 2.878 1.00 0.00 C ATOM 929 O LEU A 61 7.826 -6.994 2.445 1.00 0.00 O ATOM 930 CB LEU A 61 10.406 -5.425 1.503 1.00 0.00 C ATOM 931 CG LEU A 61 11.785 -5.144 0.903 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.851 -3.726 0.356 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.873 -5.368 1.943 1.00 0.00 C ATOM 0 H LEU A 61 9.115 -7.454 0.197 1.00 0.00 H new ATOM 0 HA LEU A 61 11.053 -7.250 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.645 -5.140 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.269 -4.786 2.375 1.00 0.00 H new ATOM 0 HG LEU A 61 11.950 -5.837 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.839 -3.545 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.096 -3.600 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.665 -3.016 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.848 -5.164 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.711 -4.699 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.840 -6.402 2.287 1.00 0.00 H new ATOM 945 N PRO A 62 9.241 -6.982 4.197 1.00 0.00 N ATOM 946 CA PRO A 62 8.183 -7.056 5.211 1.00 0.00 C ATOM 947 C PRO A 62 7.191 -5.902 5.096 1.00 0.00 C ATOM 948 O PRO A 62 7.103 -5.249 4.057 1.00 0.00 O ATOM 949 CB PRO A 62 8.941 -6.972 6.540 1.00 0.00 C ATOM 950 CG PRO A 62 10.333 -7.390 6.217 1.00 0.00 C ATOM 951 CD PRO A 62 10.583 -6.943 4.805 1.00 0.00 C ATOM 0 HA PRO A 62 7.588 -7.963 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.917 -5.960 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.496 -7.626 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.047 -6.933 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.448 -8.470 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.012 -5.942 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.278 -7.606 4.290 1.00 0.00 H new ATOM 959 N PHE A 63 6.451 -5.654 6.171 1.00 0.00 N ATOM 960 CA PHE A 63 5.470 -4.575 6.188 1.00 0.00 C ATOM 961 C PHE A 63 5.979 -3.388 6.997 1.00 0.00 C ATOM 962 O PHE A 63 5.555 -2.254 6.783 1.00 0.00 O ATOM 963 CB PHE A 63 4.141 -5.062 6.763 1.00 0.00 C ATOM 964 CG PHE A 63 3.028 -4.065 6.606 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.415 -3.882 5.377 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.596 -3.311 7.685 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.392 -2.965 5.227 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.571 -2.393 7.540 1.00 0.00 C ATOM 969 CZ PHE A 63 0.969 -2.220 6.309 1.00 0.00 C ATOM 0 H PHE A 63 6.511 -6.184 7.040 1.00 0.00 H new ATOM 0 HA PHE A 63 5.313 -4.253 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.859 -5.993 6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.271 -5.288 7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.740 -4.463 4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.064 -3.441 8.649 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.924 -2.831 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.242 -1.812 8.389 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.169 -1.503 6.193 1.00 0.00 H new ATOM 979 N GLN A 64 6.893 -3.653 7.927 1.00 0.00 N ATOM 980 CA GLN A 64 7.456 -2.597 8.760 1.00 0.00 C ATOM 981 C GLN A 64 8.064 -1.501 7.890 1.00 0.00 C ATOM 982 O GLN A 64 7.791 -0.316 8.080 1.00 0.00 O ATOM 983 CB GLN A 64 8.518 -3.169 9.701 1.00 0.00 C ATOM 984 CG GLN A 64 8.021 -4.334 10.543 1.00 0.00 C ATOM 985 CD GLN A 64 7.438 -3.891 11.869 1.00 0.00 C ATOM 986 OE1 GLN A 64 8.138 -3.335 12.715 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.147 -4.137 12.058 1.00 0.00 N ATOM 0 H GLN A 64 7.257 -4.586 8.121 1.00 0.00 H new ATOM 0 HA GLN A 64 6.653 -2.166 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.375 -3.497 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.870 -2.377 10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.264 -4.884 9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.846 -5.023 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.604 -4.600 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.698 -3.862 12.932 1.00 0.00 H new ATOM 996 N VAL A 65 8.882 -1.913 6.928 1.00 0.00 N ATOM 997 CA VAL A 65 9.525 -0.973 6.018 1.00 0.00 C ATOM 998 C VAL A 65 8.493 -0.302 5.114 1.00 0.00 C ATOM 999 O VAL A 65 8.515 0.915 4.931 1.00 0.00 O ATOM 1000 CB VAL A 65 10.586 -1.667 5.143 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.754 -2.140 5.994 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.973 -2.826 4.372 1.00 0.00 C ATOM 0 H VAL A 65 9.115 -2.891 6.758 1.00 0.00 H new ATOM 0 HA VAL A 65 10.017 -0.220 6.633 1.00 0.00 H new ATOM 0 HB VAL A 65 10.963 -0.943 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.493 -2.628 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.211 -1.285 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.396 -2.847 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.739 -3.302 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.564 -3.554 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.175 -2.454 3.729 1.00 0.00 H new ATOM 1012 N CYS A 66 7.588 -1.103 4.557 1.00 0.00 N ATOM 1013 CA CYS A 66 6.546 -0.586 3.675 1.00 0.00 C ATOM 1014 C CYS A 66 5.741 0.507 4.370 1.00 0.00 C ATOM 1015 O CYS A 66 5.586 1.608 3.848 1.00 0.00 O ATOM 1016 CB CYS A 66 5.614 -1.716 3.232 1.00 0.00 C ATOM 1017 SG CYS A 66 6.400 -2.949 2.170 1.00 0.00 S ATOM 0 H CYS A 66 7.556 -2.112 4.701 1.00 0.00 H new ATOM 0 HA CYS A 66 7.028 -0.157 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.218 -2.214 4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.764 -1.285 2.702 1.00 0.00 H new ATOM 0 HG CYS A 66 6.687 -4.006 2.871 1.00 0.00 H new ATOM 1023 N TYR A 67 5.235 0.192 5.555 1.00 0.00 N ATOM 1024 CA TYR A 67 4.453 1.146 6.327 1.00 0.00 C ATOM 1025 C TYR A 67 5.296 2.367 6.692 1.00 0.00 C ATOM 1026 O TYR A 67 4.777 3.473 6.837 1.00 0.00 O ATOM 1027 CB TYR A 67 3.917 0.489 7.600 1.00 0.00 C ATOM 1028 CG TYR A 67 2.777 1.250 8.236 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.504 1.221 7.680 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.973 1.999 9.389 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.458 1.920 8.255 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.932 2.697 9.971 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.678 2.655 9.401 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.361 3.350 9.976 1.00 0.00 O ATOM 0 H TYR A 67 5.353 -0.717 6.002 1.00 0.00 H new ATOM 0 HA TYR A 67 3.613 1.471 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.583 -0.521 7.365 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.729 0.396 8.321 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.328 0.643 6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.955 2.037 9.838 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.525 1.890 7.809 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.100 3.273 10.869 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.491 4.197 9.500 1.00 0.00 H new ATOM 1044 N ALA A 68 6.598 2.147 6.861 1.00 0.00 N ATOM 1045 CA ALA A 68 7.521 3.216 7.238 1.00 0.00 C ATOM 1046 C ALA A 68 7.710 4.254 6.133 1.00 0.00 C ATOM 1047 O ALA A 68 7.586 5.453 6.378 1.00 0.00 O ATOM 1048 CB ALA A 68 8.865 2.623 7.618 1.00 0.00 C ATOM 0 H ALA A 68 7.039 1.235 6.742 1.00 0.00 H new ATOM 0 HA ALA A 68 7.080 3.732 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.550 3.423 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.738 1.943 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.275 2.076 6.769 1.00 0.00 H new ATOM 1054 N LEU A 69 8.024 3.802 4.921 1.00 0.00 N ATOM 1055 CA LEU A 69 8.234 4.725 3.810 1.00 0.00 C ATOM 1056 C LEU A 69 6.939 5.439 3.453 1.00 0.00 C ATOM 1057 O LEU A 69 6.926 6.653 3.247 1.00 0.00 O ATOM 1058 CB LEU A 69 8.794 3.999 2.583 1.00 0.00 C ATOM 1059 CG LEU A 69 8.134 2.657 2.264 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.402 2.718 0.934 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.172 1.543 2.249 1.00 0.00 C ATOM 0 H LEU A 69 8.137 2.816 4.686 1.00 0.00 H new ATOM 0 HA LEU A 69 8.967 5.466 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.691 4.652 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.861 3.835 2.733 1.00 0.00 H new ATOM 0 HG LEU A 69 7.405 2.442 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.940 1.752 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.631 3.487 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.109 2.959 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.685 0.595 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.924 1.757 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.651 1.479 3.226 1.00 0.00 H new ATOM 1073 N PHE A 70 5.846 4.685 3.399 1.00 0.00 N ATOM 1074 CA PHE A 70 4.547 5.263 3.089 1.00 0.00 C ATOM 1075 C PHE A 70 4.171 6.292 4.148 1.00 0.00 C ATOM 1076 O PHE A 70 3.519 7.294 3.858 1.00 0.00 O ATOM 1077 CB PHE A 70 3.478 4.170 3.001 1.00 0.00 C ATOM 1078 CG PHE A 70 3.316 3.606 1.618 1.00 0.00 C ATOM 1079 CD1 PHE A 70 4.126 2.571 1.178 1.00 0.00 C ATOM 1080 CD2 PHE A 70 2.358 4.115 0.756 1.00 0.00 C ATOM 1081 CE1 PHE A 70 3.985 2.056 -0.096 1.00 0.00 C ATOM 1082 CE2 PHE A 70 2.212 3.603 -0.519 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.026 2.572 -0.945 1.00 0.00 C ATOM 0 H PHE A 70 5.835 3.679 3.565 1.00 0.00 H new ATOM 0 HA PHE A 70 4.606 5.759 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.736 3.363 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.523 4.578 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.876 2.162 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.718 4.921 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.624 1.251 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.462 4.009 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.913 2.170 -1.941 1.00 0.00 H new ATOM 1093 N LYS A 71 4.612 6.043 5.381 1.00 0.00 N ATOM 1094 CA LYS A 71 4.348 6.952 6.488 1.00 0.00 C ATOM 1095 C LYS A 71 5.328 8.117 6.449 1.00 0.00 C ATOM 1096 O LYS A 71 4.988 9.247 6.799 1.00 0.00 O ATOM 1097 CB LYS A 71 4.473 6.219 7.825 1.00 0.00 C ATOM 1098 CG LYS A 71 3.167 5.619 8.318 1.00 0.00 C ATOM 1099 CD LYS A 71 3.097 5.625 9.836 1.00 0.00 C ATOM 1100 CE LYS A 71 3.104 7.041 10.388 1.00 0.00 C ATOM 1101 NZ LYS A 71 2.456 7.120 11.725 1.00 0.00 N ATOM 0 H LYS A 71 5.154 5.217 5.635 1.00 0.00 H new ATOM 0 HA LYS A 71 3.331 7.331 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.213 5.425 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.850 6.913 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.328 6.183 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.072 4.597 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.193 5.111 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.943 5.071 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.132 7.397 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.586 7.703 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.482 8.102 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.468 6.805 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.965 6.508 12.394 1.00 0.00 H new ATOM 1115 N GLY A 72 6.551 7.827 6.012 1.00 0.00 N ATOM 1116 CA GLY A 72 7.571 8.850 5.922 1.00 0.00 C ATOM 1117 C GLY A 72 7.544 9.579 4.592 1.00 0.00 C ATOM 1118 O GLY A 72 8.458 10.340 4.277 1.00 0.00 O ATOM 0 H GLY A 72 6.851 6.897 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.433 9.569 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.551 8.395 6.064 1.00 0.00 H new ATOM 1122 N ALA A 73 6.489 9.351 3.813 1.00 0.00 N ATOM 1123 CA ALA A 73 6.343 9.998 2.515 1.00 0.00 C ATOM 1124 C ALA A 73 5.985 11.469 2.688 1.00 0.00 C ATOM 1125 O ALA A 73 5.126 11.813 3.499 1.00 0.00 O ATOM 1126 CB ALA A 73 5.279 9.289 1.694 1.00 0.00 C ATOM 0 H ALA A 73 5.724 8.723 4.059 1.00 0.00 H new ATOM 0 HA ALA A 73 7.294 9.935 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.178 9.781 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.568 8.249 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.326 9.328 2.222 1.00 0.00 H new ATOM 1132 N ASN A 74 6.641 12.335 1.926 1.00 0.00 N ATOM 1133 CA ASN A 74 6.376 13.767 2.005 1.00 0.00 C ATOM 1134 C ASN A 74 7.127 14.522 0.917 1.00 0.00 C ATOM 1135 O ASN A 74 8.282 14.906 1.094 1.00 0.00 O ATOM 1136 CB ASN A 74 6.757 14.313 3.382 1.00 0.00 C ATOM 1137 CG ASN A 74 8.213 14.071 3.722 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.052 14.961 3.585 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.517 12.860 4.165 1.00 0.00 N ATOM 0 H ASN A 74 7.357 12.073 1.249 1.00 0.00 H new ATOM 0 HA ASN A 74 5.307 13.916 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.553 15.383 3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.128 13.847 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.481 12.633 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.787 12.154 4.262 1.00 0.00 H new ATOM 1146 N GLY A 75 6.458 14.730 -0.211 1.00 0.00 N ATOM 1147 CA GLY A 75 7.072 15.437 -1.321 1.00 0.00 C ATOM 1148 C GLY A 75 6.956 14.672 -2.623 1.00 0.00 C ATOM 1149 O GLY A 75 7.922 14.062 -3.081 1.00 0.00 O ATOM 0 H GLY A 75 5.500 14.422 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.601 16.413 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.124 15.614 -1.099 1.00 0.00 H new ATOM 1153 N LYS A 76 5.766 14.695 -3.215 1.00 0.00 N ATOM 1154 CA LYS A 76 5.516 13.990 -4.467 1.00 0.00 C ATOM 1155 C LYS A 76 5.905 12.520 -4.345 1.00 0.00 C ATOM 1156 O LYS A 76 7.078 12.163 -4.454 1.00 0.00 O ATOM 1157 CB LYS A 76 6.282 14.644 -5.617 1.00 0.00 C ATOM 1158 CG LYS A 76 5.611 14.458 -6.969 1.00 0.00 C ATOM 1159 CD LYS A 76 5.012 15.758 -7.482 1.00 0.00 C ATOM 1160 CE LYS A 76 3.616 15.545 -8.047 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.623 15.478 -9.535 1.00 0.00 N ATOM 0 H LYS A 76 4.958 15.196 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 76 4.449 14.050 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.387 15.710 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.288 14.227 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.339 14.084 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.828 13.704 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.970 16.485 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.658 16.178 -8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.198 14.622 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.966 16.358 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.653 15.332 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.998 16.368 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.223 14.687 -9.844 1.00 0.00 H new ATOM 1175 N VAL A 77 4.909 11.677 -4.111 1.00 0.00 N ATOM 1176 CA VAL A 77 5.129 10.241 -3.961 1.00 0.00 C ATOM 1177 C VAL A 77 4.749 9.485 -5.224 1.00 0.00 C ATOM 1178 O VAL A 77 3.892 9.922 -5.986 1.00 0.00 O ATOM 1179 CB VAL A 77 4.324 9.658 -2.787 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.128 9.749 -1.504 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.984 10.353 -2.639 1.00 0.00 C ATOM 0 H VAL A 77 3.934 11.963 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 77 6.194 10.118 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 77 4.125 8.607 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.547 9.333 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.055 9.186 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.360 10.793 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.439 9.918 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.144 11.416 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.405 10.225 -3.554 1.00 0.00 H new ATOM 1191 N SER A 78 5.391 8.341 -5.425 1.00 0.00 N ATOM 1192 CA SER A 78 5.126 7.490 -6.579 1.00 0.00 C ATOM 1193 C SER A 78 5.153 6.027 -6.150 1.00 0.00 C ATOM 1194 O SER A 78 6.163 5.543 -5.641 1.00 0.00 O ATOM 1195 CB SER A 78 6.160 7.740 -7.679 1.00 0.00 C ATOM 1196 OG SER A 78 6.237 6.641 -8.571 1.00 0.00 O ATOM 0 H SER A 78 6.107 7.978 -4.796 1.00 0.00 H new ATOM 0 HA SER A 78 4.140 7.729 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.896 8.642 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.137 7.916 -7.230 1.00 0.00 H new ATOM 0 HG SER A 78 6.904 6.828 -9.264 1.00 0.00 H new ATOM 1202 N MET A 79 4.036 5.327 -6.330 1.00 0.00 N ATOM 1203 CA MET A 79 3.954 3.927 -5.925 1.00 0.00 C ATOM 1204 C MET A 79 3.431 3.032 -7.046 1.00 0.00 C ATOM 1205 O MET A 79 2.325 3.235 -7.549 1.00 0.00 O ATOM 1206 CB MET A 79 3.049 3.781 -4.698 1.00 0.00 C ATOM 1207 CG MET A 79 2.984 5.023 -3.824 1.00 0.00 C ATOM 1208 SD MET A 79 1.535 6.039 -4.170 1.00 0.00 S ATOM 1209 CE MET A 79 0.591 5.804 -2.667 1.00 0.00 C ATOM 0 H MET A 79 3.184 5.701 -6.749 1.00 0.00 H new ATOM 0 HA MET A 79 4.967 3.606 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.042 3.531 -5.031 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.403 2.944 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.972 4.725 -2.776 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.885 5.618 -3.976 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.353 6.343 -2.743 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.392 4.742 -2.524 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.159 6.184 -1.818 1.00 0.00 H new ATOM 1219 N GLU A 80 4.217 2.020 -7.416 1.00 0.00 N ATOM 1220 CA GLU A 80 3.805 1.082 -8.456 1.00 0.00 C ATOM 1221 C GLU A 80 2.977 -0.041 -7.842 1.00 0.00 C ATOM 1222 O GLU A 80 3.506 -0.907 -7.143 1.00 0.00 O ATOM 1223 CB GLU A 80 5.015 0.498 -9.193 1.00 0.00 C ATOM 1224 CG GLU A 80 4.948 0.675 -10.701 1.00 0.00 C ATOM 1225 CD GLU A 80 6.215 1.270 -11.282 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.254 1.254 -10.587 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.171 1.753 -12.433 1.00 0.00 O ATOM 0 H GLU A 80 5.135 1.831 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 80 3.200 1.626 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.922 0.973 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.093 -0.565 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.760 -0.292 -11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.104 1.318 -10.949 1.00 0.00 H new ATOM 1234 N VAL A 81 1.676 -0.008 -8.093 1.00 0.00 N ATOM 1235 CA VAL A 81 0.763 -1.010 -7.552 1.00 0.00 C ATOM 1236 C VAL A 81 0.478 -2.114 -8.559 1.00 0.00 C ATOM 1237 O VAL A 81 0.368 -1.864 -9.758 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.568 -0.389 -7.093 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.470 0.054 -5.646 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.955 0.775 -7.987 1.00 0.00 C ATOM 0 H VAL A 81 1.226 0.703 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 81 1.266 -1.440 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.348 -1.147 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.418 0.491 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.243 -0.807 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.322 0.796 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.899 1.199 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.178 1.539 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.066 0.424 -9.013 1.00 0.00 H new ATOM 1250 N THR A 82 0.358 -3.338 -8.055 1.00 0.00 N ATOM 1251 CA THR A 82 0.085 -4.496 -8.896 1.00 0.00 C ATOM 1252 C THR A 82 -1.341 -4.991 -8.678 1.00 0.00 C ATOM 1253 O THR A 82 -1.715 -5.370 -7.569 1.00 0.00 O ATOM 1254 CB THR A 82 1.078 -5.618 -8.579 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.415 -5.159 -8.698 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.922 -6.830 -9.470 1.00 0.00 C ATOM 0 H THR A 82 0.446 -3.553 -7.062 1.00 0.00 H new ATOM 0 HA THR A 82 0.197 -4.201 -9.939 1.00 0.00 H new ATOM 0 HB THR A 82 0.856 -5.915 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.435 -4.351 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.657 -7.585 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.081 -7.240 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.078 -6.540 -10.509 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.135 -4.978 -9.744 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.523 -5.421 -9.670 1.00 0.00 C ATOM 1266 C ARG A 83 -3.691 -6.808 -10.285 1.00 0.00 C ATOM 1267 O ARG A 83 -3.963 -6.938 -11.479 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.435 -4.422 -10.383 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.868 -4.434 -9.875 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.654 -3.243 -10.402 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.081 -3.354 -10.106 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.023 -2.659 -10.735 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.697 -1.801 -11.695 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.299 -2.819 -10.404 1.00 0.00 N ATOM 0 H ARG A 83 -1.841 -4.666 -10.669 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.803 -5.476 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.025 -3.419 -10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.435 -4.641 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.357 -5.359 -10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.869 -4.419 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.263 -2.326 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.512 -3.164 -11.480 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.371 -4.003 -9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.719 -1.672 -11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.425 -1.271 -12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.556 -3.475 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.022 -2.285 -10.887 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.530 -7.867 -9.474 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.668 -9.248 -9.943 1.00 0.00 C ATOM 1290 C PRO A 84 -5.110 -9.601 -10.287 1.00 0.00 C ATOM 1291 O PRO A 84 -5.997 -8.748 -10.244 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.185 -10.078 -8.752 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.418 -9.210 -7.565 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.204 -7.800 -8.036 1.00 0.00 C ATOM 0 HA PRO A 84 -3.105 -9.425 -10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.737 -11.014 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.131 -10.337 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.428 -9.343 -7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.730 -9.460 -6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.851 -7.098 -7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.177 -7.473 -7.871 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.847 1.531 9.865 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.766 0.699 9.344 1.00 0.00 C ATOM 1574 C GLN A 103 -6.395 1.284 9.644 1.00 0.00 C ATOM 1575 O GLN A 103 -6.276 2.368 10.214 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.931 0.540 7.831 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.142 -0.280 7.447 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.791 -1.708 7.077 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.668 -2.000 6.667 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.754 -2.611 7.224 1.00 0.00 N ATOM 0 HA GLN A 103 -7.827 -0.270 9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.009 1.527 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.037 0.069 7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.848 -0.288 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.645 0.196 6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.672 -2.327 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.576 -3.589 6.994 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.358 0.558 9.234 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.985 1.002 9.431 1.00 0.00 C ATOM 1591 C TYR A 104 -3.598 1.933 8.293 1.00 0.00 C ATOM 1592 O TYR A 104 -3.220 1.486 7.212 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.040 -0.203 9.471 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.736 0.053 10.195 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.698 0.812 11.358 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.540 -0.473 9.718 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.509 1.040 12.025 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.653 -0.249 10.379 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.662 0.507 11.531 1.00 0.00 C ATOM 1600 OH TYR A 104 1.849 0.731 12.192 1.00 0.00 O ATOM 0 H TYR A 104 -5.445 -0.342 8.762 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.906 1.532 10.380 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.552 -1.036 9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.820 -0.512 8.449 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.614 1.231 11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.544 -1.067 8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.498 1.632 12.928 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.573 -0.664 9.995 1.00 0.00 H new ATOM 0 HH TYR A 104 2.400 1.354 11.673 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.718 3.230 8.535 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.405 4.223 7.520 1.00 0.00 C ATOM 1612 C TRP A 105 -2.051 4.874 7.774 1.00 0.00 C ATOM 1613 O TRP A 105 -1.714 5.214 8.909 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.504 5.288 7.482 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.890 4.713 7.459 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.684 4.425 8.537 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.647 4.342 6.303 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.886 3.924 8.114 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.884 3.858 6.752 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.403 4.375 4.930 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.866 3.414 5.882 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.385 3.926 4.068 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.605 3.453 4.557 1.00 0.00 C ATOM 0 H TRP A 105 -4.030 3.619 9.425 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.354 3.718 6.556 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.402 5.936 8.352 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.363 5.913 6.600 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.403 4.572 9.570 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.658 3.645 8.720 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.463 4.745 4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.812 3.048 6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.207 3.941 3.003 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.356 3.111 3.861 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.280 5.047 6.706 1.00 0.00 N ATOM 1635 CA VAL A 106 0.039 5.660 6.802 1.00 0.00 C ATOM 1636 C VAL A 106 -0.069 7.174 6.956 1.00 0.00 C ATOM 1637 O VAL A 106 -0.920 7.778 6.271 1.00 0.00 O ATOM 1638 CB VAL A 106 0.902 5.343 5.566 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.383 3.901 5.607 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.125 5.617 4.287 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.697 7.743 7.762 1.00 0.00 O ATOM 0 H VAL A 106 -1.547 4.770 5.761 1.00 0.00 H new ATOM 0 HA VAL A 106 0.518 5.238 7.686 1.00 0.00 H new ATOM 0 HB VAL A 106 1.776 5.994 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.991 3.695 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.980 3.742 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.523 3.231 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.751 5.387 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.768 4.993 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.165 6.667 4.255 1.00 0.00 H new