USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 873 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 40 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 MET CE :methyl 174:sc= -0.343 (180deg=-0.345) USER MOD Set 2.1: A 38 CYS SG : rot 159:sc= -0.349 USER MOD Set 2.2: A 79 CYS SG : rot 158:sc= 1.42 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0123 K(o=-0.012,f=-2.4!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 10 ASN : amide:sc= 0.424 K(o=0.42,f=-5.9!) USER MOD Single : A 13 GLN : amide:sc=-0.00029 X(o=-0.00029,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= 0.547 F(o=0,f=0.55) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.69) USER MOD Single : A 37 THR OG1 : rot -174:sc= 1.14 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 141:sc= -5.59! (180deg=-11.9!) USER MOD Single : A 46 TYR OH : rot -136:sc= 0.0286 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00168 K(o=-0.0017,f=-0.79) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.595 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -163:sc= -0.13 (180deg=-0.373) USER MOD Single : A 87 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= -0.409 (180deg=-0.479!) USER MOD Single : A 89 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.37 K(o=-1.4,f=-10!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.92) USER MOD Single : A 112 MET CE :methyl -125:sc= -5.19! (180deg=-16.4!) USER MOD Single : A 118 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -7.561 8.760 -10.611 1.00 0.00 N ATOM 36 CA MET A 4 -7.987 7.397 -10.313 1.00 0.00 C ATOM 37 C MET A 4 -7.476 6.953 -8.947 1.00 0.00 C ATOM 38 O MET A 4 -8.250 6.814 -8.000 1.00 0.00 O ATOM 39 CB MET A 4 -7.488 6.437 -11.395 1.00 0.00 C ATOM 40 CG MET A 4 -8.475 6.238 -12.534 1.00 0.00 C ATOM 41 SD MET A 4 -8.475 4.549 -13.165 1.00 0.00 S ATOM 42 CE MET A 4 -7.675 4.779 -14.750 1.00 0.00 C ATOM 0 HA MET A 4 -9.077 7.379 -10.295 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.550 6.816 -11.800 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.272 5.471 -10.940 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.477 6.493 -12.190 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.232 6.925 -13.345 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.601 3.820 -15.263 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.260 5.470 -15.356 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.676 5.187 -14.597 1.00 0.00 H new ATOM 52 N LEU A 5 -6.168 6.732 -8.854 1.00 0.00 N ATOM 53 CA LEU A 5 -5.547 6.300 -7.608 1.00 0.00 C ATOM 54 C LEU A 5 -5.976 7.188 -6.439 1.00 0.00 C ATOM 55 O LEU A 5 -5.528 8.330 -6.323 1.00 0.00 O ATOM 56 CB LEU A 5 -4.022 6.319 -7.744 1.00 0.00 C ATOM 57 CG LEU A 5 -3.390 4.979 -8.130 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.521 3.981 -6.990 1.00 0.00 C ATOM 59 CD2 LEU A 5 -4.032 4.433 -9.396 1.00 0.00 C ATOM 0 H LEU A 5 -5.516 6.846 -9.630 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.878 5.282 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.748 7.062 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.592 6.647 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.330 5.140 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.067 3.034 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.015 4.370 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.576 3.823 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.571 3.480 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.099 4.286 -9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.887 5.141 -10.212 1.00 0.00 H new ATOM 71 N PRO A 6 -6.850 6.678 -5.552 1.00 0.00 N ATOM 72 CA PRO A 6 -7.332 7.437 -4.394 1.00 0.00 C ATOM 73 C PRO A 6 -6.276 7.557 -3.299 1.00 0.00 C ATOM 74 O PRO A 6 -5.651 6.568 -2.916 1.00 0.00 O ATOM 75 CB PRO A 6 -8.519 6.610 -3.904 1.00 0.00 C ATOM 76 CG PRO A 6 -8.197 5.216 -4.311 1.00 0.00 C ATOM 77 CD PRO A 6 -7.439 5.325 -5.607 1.00 0.00 C ATOM 0 HA PRO A 6 -7.587 8.464 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.639 6.690 -2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.452 6.949 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.598 4.716 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.105 4.627 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.671 4.556 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.098 5.209 -6.468 1.00 0.00 H new ATOM 85 N HIS A 7 -6.085 8.772 -2.799 1.00 0.00 N ATOM 86 CA HIS A 7 -5.105 9.022 -1.746 1.00 0.00 C ATOM 87 C HIS A 7 -5.794 9.357 -0.428 1.00 0.00 C ATOM 88 O HIS A 7 -7.022 9.360 -0.341 1.00 0.00 O ATOM 89 CB HIS A 7 -4.168 10.162 -2.151 1.00 0.00 C ATOM 90 CG HIS A 7 -4.877 11.340 -2.746 1.00 0.00 C ATOM 91 ND1 HIS A 7 -6.163 11.700 -2.402 1.00 0.00 N ATOM 92 CD2 HIS A 7 -4.471 12.244 -3.670 1.00 0.00 C ATOM 93 CE1 HIS A 7 -6.517 12.773 -3.088 1.00 0.00 C ATOM 94 NE2 HIS A 7 -5.508 13.122 -3.864 1.00 0.00 N ATOM 0 H HIS A 7 -6.595 9.600 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.520 8.113 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.609 10.490 -1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.441 9.785 -2.870 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.510 12.269 -4.162 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.470 13.278 -3.024 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.500 13.916 -4.504 1.00 0.00 H new ATOM 103 N LEU A 8 -4.996 9.641 0.596 1.00 0.00 N ATOM 104 CA LEU A 8 -5.527 9.980 1.910 1.00 0.00 C ATOM 105 C LEU A 8 -5.508 11.491 2.129 1.00 0.00 C ATOM 106 O LEU A 8 -5.162 12.253 1.226 1.00 0.00 O ATOM 107 CB LEU A 8 -4.717 9.283 3.006 1.00 0.00 C ATOM 108 CG LEU A 8 -5.291 7.946 3.483 1.00 0.00 C ATOM 109 CD1 LEU A 8 -5.542 7.021 2.303 1.00 0.00 C ATOM 110 CD2 LEU A 8 -4.350 7.291 4.484 1.00 0.00 C ATOM 0 H LEU A 8 -3.978 9.643 0.540 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.560 9.636 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.705 9.116 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.639 9.954 3.862 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.243 8.137 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.950 6.076 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.252 7.487 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.604 6.836 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.773 6.342 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.383 7.114 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.219 7.948 5.344 1.00 0.00 H new ATOM 122 N HIS A 9 -5.882 11.915 3.331 1.00 0.00 N ATOM 123 CA HIS A 9 -5.907 13.335 3.664 1.00 0.00 C ATOM 124 C HIS A 9 -6.004 13.541 5.174 1.00 0.00 C ATOM 125 O HIS A 9 -5.075 14.051 5.800 1.00 0.00 O ATOM 126 CB HIS A 9 -7.083 14.023 2.969 1.00 0.00 C ATOM 127 CG HIS A 9 -6.772 15.410 2.500 1.00 0.00 C ATOM 128 ND1 HIS A 9 -6.489 15.714 1.184 1.00 0.00 N ATOM 129 CD2 HIS A 9 -6.703 16.581 3.178 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.257 17.010 1.074 1.00 0.00 C ATOM 131 NE2 HIS A 9 -6.380 17.558 2.269 1.00 0.00 N ATOM 0 H HIS A 9 -6.171 11.298 4.090 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.975 13.779 3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.393 13.420 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.929 14.061 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.871 16.720 4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.009 17.532 0.162 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.255 18.548 2.482 1.00 0.00 H new ATOM 140 N ASN A 10 -7.132 13.141 5.750 1.00 0.00 N ATOM 141 CA ASN A 10 -7.349 13.283 7.185 1.00 0.00 C ATOM 142 C ASN A 10 -7.485 11.919 7.853 1.00 0.00 C ATOM 143 O ASN A 10 -7.682 10.905 7.183 1.00 0.00 O ATOM 144 CB ASN A 10 -8.602 14.119 7.452 1.00 0.00 C ATOM 145 CG ASN A 10 -8.450 15.017 8.665 1.00 0.00 C ATOM 146 OD1 ASN A 10 -7.801 14.651 9.644 1.00 0.00 O ATOM 147 ND2 ASN A 10 -9.048 16.201 8.604 1.00 0.00 N ATOM 0 H ASN A 10 -7.910 12.716 5.246 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.483 13.791 7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.821 14.730 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.454 13.455 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.979 16.848 9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.576 16.463 7.772 1.00 0.00 H new ATOM 154 N GLY A 11 -7.376 11.900 9.177 1.00 0.00 N ATOM 155 CA GLY A 11 -7.489 10.655 9.915 1.00 0.00 C ATOM 156 C GLY A 11 -8.820 9.965 9.690 1.00 0.00 C ATOM 157 O GLY A 11 -8.918 8.743 9.797 1.00 0.00 O ATOM 0 H GLY A 11 -7.211 12.725 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.682 9.986 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.362 10.854 10.979 1.00 0.00 H new ATOM 161 N TRP A 12 -9.847 10.748 9.376 1.00 0.00 N ATOM 162 CA TRP A 12 -11.179 10.204 9.135 1.00 0.00 C ATOM 163 C TRP A 12 -11.156 9.197 7.989 1.00 0.00 C ATOM 164 O TRP A 12 -11.732 8.114 8.090 1.00 0.00 O ATOM 165 CB TRP A 12 -12.164 11.331 8.820 1.00 0.00 C ATOM 166 CG TRP A 12 -13.527 11.108 9.400 1.00 0.00 C ATOM 167 CD1 TRP A 12 -13.829 10.840 10.704 1.00 0.00 C ATOM 168 CD2 TRP A 12 -14.774 11.134 8.696 1.00 0.00 C ATOM 169 NE1 TRP A 12 -15.187 10.697 10.854 1.00 0.00 N ATOM 170 CE2 TRP A 12 -15.789 10.873 9.637 1.00 0.00 C ATOM 171 CE3 TRP A 12 -15.131 11.353 7.363 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -17.136 10.825 9.284 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -16.468 11.305 7.015 1.00 0.00 C ATOM 174 CH2 TRP A 12 -17.456 11.044 7.972 1.00 0.00 C ATOM 0 H TRP A 12 -9.783 11.762 9.282 1.00 0.00 H new ATOM 0 HA TRP A 12 -11.504 9.690 10.040 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.764 12.270 9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.250 11.437 7.739 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.106 10.753 11.501 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -15.669 10.493 11.730 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -14.376 11.556 6.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -17.900 10.622 10.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -16.755 11.472 5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -18.492 11.015 7.668 1.00 0.00 H new ATOM 185 N GLN A 13 -10.486 9.562 6.901 1.00 0.00 N ATOM 186 CA GLN A 13 -10.386 8.691 5.737 1.00 0.00 C ATOM 187 C GLN A 13 -9.294 7.644 5.932 1.00 0.00 C ATOM 188 O GLN A 13 -9.392 6.528 5.422 1.00 0.00 O ATOM 189 CB GLN A 13 -10.100 9.515 4.479 1.00 0.00 C ATOM 190 CG GLN A 13 -11.331 10.200 3.908 1.00 0.00 C ATOM 191 CD GLN A 13 -11.049 10.904 2.595 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.136 11.725 2.502 1.00 0.00 O ATOM 193 NE2 GLN A 13 -11.833 10.587 1.573 1.00 0.00 N ATOM 0 H GLN A 13 -10.004 10.456 6.802 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.340 8.177 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.349 10.270 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.671 8.864 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.117 9.460 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.708 10.924 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.578 9.901 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.691 11.029 0.665 1.00 0.00 H new ATOM 202 N VAL A 14 -8.255 8.013 6.675 1.00 0.00 N ATOM 203 CA VAL A 14 -7.145 7.106 6.939 1.00 0.00 C ATOM 204 C VAL A 14 -7.592 5.926 7.795 1.00 0.00 C ATOM 205 O VAL A 14 -7.470 4.770 7.388 1.00 0.00 O ATOM 206 CB VAL A 14 -5.984 7.830 7.649 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.775 6.915 7.771 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.621 9.111 6.912 1.00 0.00 C ATOM 0 H VAL A 14 -8.159 8.933 7.104 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.798 6.740 5.972 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.310 8.097 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.967 7.445 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.045 6.031 8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.446 6.612 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.800 9.608 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.317 8.871 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.486 9.773 6.886 1.00 0.00 H new ATOM 218 N ASP A 15 -8.111 6.224 8.981 1.00 0.00 N ATOM 219 CA ASP A 15 -8.577 5.188 9.895 1.00 0.00 C ATOM 220 C ASP A 15 -9.699 4.369 9.263 1.00 0.00 C ATOM 221 O ASP A 15 -9.745 3.147 9.406 1.00 0.00 O ATOM 222 CB ASP A 15 -9.063 5.813 11.204 1.00 0.00 C ATOM 223 CG ASP A 15 -9.379 4.771 12.260 1.00 0.00 C ATOM 224 OD1 ASP A 15 -8.701 3.723 12.281 1.00 0.00 O ATOM 225 OD2 ASP A 15 -10.305 5.004 13.064 1.00 0.00 O ATOM 0 H ASP A 15 -8.220 7.175 9.332 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.740 4.523 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.300 6.492 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.953 6.411 11.009 1.00 0.00 H new ATOM 230 N GLN A 16 -10.600 5.050 8.563 1.00 0.00 N ATOM 231 CA GLN A 16 -11.721 4.386 7.910 1.00 0.00 C ATOM 232 C GLN A 16 -11.243 3.549 6.728 1.00 0.00 C ATOM 233 O GLN A 16 -11.798 2.488 6.442 1.00 0.00 O ATOM 234 CB GLN A 16 -12.747 5.418 7.436 1.00 0.00 C ATOM 235 CG GLN A 16 -13.603 5.983 8.557 1.00 0.00 C ATOM 236 CD GLN A 16 -14.762 6.814 8.042 1.00 0.00 C ATOM 237 OE1 GLN A 16 -15.970 6.270 8.140 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -14.575 7.932 7.564 1.00 0.00 N flip ATOM 0 H GLN A 16 -10.575 6.061 8.434 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.191 3.723 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.225 6.237 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.396 4.957 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.989 5.163 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.982 6.597 9.210 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.630 8.311 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.365 8.480 7.224 1.00 0.00 H new ATOM 247 N ALA A 17 -10.210 4.032 6.045 1.00 0.00 N ATOM 248 CA ALA A 17 -9.658 3.328 4.895 1.00 0.00 C ATOM 249 C ALA A 17 -9.163 1.940 5.286 1.00 0.00 C ATOM 250 O ALA A 17 -9.315 0.980 4.530 1.00 0.00 O ATOM 251 CB ALA A 17 -8.528 4.136 4.274 1.00 0.00 C ATOM 0 H ALA A 17 -9.739 4.908 6.269 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.453 3.208 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.125 3.598 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.909 5.104 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.739 4.285 5.012 1.00 0.00 H new ATOM 257 N ILE A 18 -8.572 1.840 6.472 1.00 0.00 N ATOM 258 CA ILE A 18 -8.057 0.568 6.964 1.00 0.00 C ATOM 259 C ILE A 18 -9.168 -0.470 7.071 1.00 0.00 C ATOM 260 O ILE A 18 -9.004 -1.616 6.652 1.00 0.00 O ATOM 261 CB ILE A 18 -7.384 0.730 8.342 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.314 1.822 8.287 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.777 -0.590 8.796 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.214 2.634 9.560 1.00 0.00 C ATOM 0 H ILE A 18 -8.438 2.625 7.110 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.314 0.227 6.243 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.143 1.026 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.347 1.362 8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.532 2.491 7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.306 -0.458 9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.560 -1.344 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.029 -0.914 8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.436 3.389 9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.169 3.123 9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.966 1.976 10.393 1.00 0.00 H new ATOM 276 N LEU A 19 -10.299 -0.063 7.637 1.00 0.00 N ATOM 277 CA LEU A 19 -11.438 -0.960 7.800 1.00 0.00 C ATOM 278 C LEU A 19 -12.338 -0.951 6.565 1.00 0.00 C ATOM 279 O LEU A 19 -13.416 -1.545 6.571 1.00 0.00 O ATOM 280 CB LEU A 19 -12.248 -0.564 9.035 1.00 0.00 C ATOM 281 CG LEU A 19 -11.610 -0.932 10.375 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.489 -2.442 10.511 1.00 0.00 C ATOM 283 CD2 LEU A 19 -10.247 -0.271 10.514 1.00 0.00 C ATOM 0 H LEU A 19 -10.452 0.882 7.990 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.050 -1.970 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.412 0.513 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.228 -1.037 8.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.253 -0.566 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.033 -2.686 11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.480 -2.893 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.867 -2.831 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.807 -0.543 11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.596 -0.607 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.361 0.812 10.461 1.00 0.00 H new ATOM 295 N SER A 20 -11.894 -0.276 5.507 1.00 0.00 N ATOM 296 CA SER A 20 -12.668 -0.197 4.272 1.00 0.00 C ATOM 297 C SER A 20 -12.316 -1.339 3.318 1.00 0.00 C ATOM 298 O SER A 20 -12.608 -1.270 2.124 1.00 0.00 O ATOM 299 CB SER A 20 -12.428 1.147 3.581 1.00 0.00 C ATOM 300 OG SER A 20 -13.621 1.641 2.999 1.00 0.00 O ATOM 0 H SER A 20 -11.005 0.223 5.481 1.00 0.00 H new ATOM 0 HA SER A 20 -13.722 -0.286 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.047 1.868 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.664 1.033 2.812 1.00 0.00 H new ATOM 0 HG SER A 20 -13.442 2.501 2.565 1.00 0.00 H new ATOM 306 N GLU A 21 -11.688 -2.387 3.846 1.00 0.00 N ATOM 307 CA GLU A 21 -11.304 -3.534 3.032 1.00 0.00 C ATOM 308 C GLU A 21 -12.516 -4.403 2.710 1.00 0.00 C ATOM 309 O GLU A 21 -12.707 -5.464 3.303 1.00 0.00 O ATOM 310 CB GLU A 21 -10.242 -4.366 3.754 1.00 0.00 C ATOM 311 CG GLU A 21 -10.667 -4.826 5.139 1.00 0.00 C ATOM 312 CD GLU A 21 -10.238 -6.248 5.438 1.00 0.00 C ATOM 313 OE1 GLU A 21 -10.805 -7.180 4.829 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.335 -6.431 6.281 1.00 0.00 O ATOM 0 H GLU A 21 -11.435 -2.464 4.831 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.888 -3.161 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.003 -5.240 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.328 -3.778 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.241 -4.157 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.751 -4.752 5.226 1.00 0.00 H new ATOM 321 N GLU A 22 -13.332 -3.944 1.767 1.00 0.00 N ATOM 322 CA GLU A 22 -14.526 -4.678 1.367 1.00 0.00 C ATOM 323 C GLU A 22 -14.300 -5.407 0.046 1.00 0.00 C ATOM 324 O GLU A 22 -15.230 -5.593 -0.739 1.00 0.00 O ATOM 325 CB GLU A 22 -15.717 -3.726 1.239 1.00 0.00 C ATOM 326 CG GLU A 22 -15.843 -2.751 2.397 1.00 0.00 C ATOM 327 CD GLU A 22 -16.282 -3.426 3.683 1.00 0.00 C ATOM 328 OE1 GLU A 22 -17.461 -3.825 3.771 1.00 0.00 O ATOM 329 OE2 GLU A 22 -15.444 -3.557 4.601 1.00 0.00 O ATOM 0 H GLU A 22 -13.188 -3.067 1.266 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.742 -5.418 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.624 -3.164 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.633 -4.312 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.884 -2.259 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.561 -1.973 2.136 1.00 0.00 H new ATOM 336 N ASP A 23 -13.059 -5.819 -0.192 1.00 0.00 N ATOM 337 CA ASP A 23 -12.712 -6.529 -1.418 1.00 0.00 C ATOM 338 C ASP A 23 -11.832 -7.734 -1.118 1.00 0.00 C ATOM 339 O ASP A 23 -12.132 -8.856 -1.526 1.00 0.00 O ATOM 340 CB ASP A 23 -11.998 -5.590 -2.392 1.00 0.00 C ATOM 341 CG ASP A 23 -12.918 -4.517 -2.941 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.122 -4.798 -3.112 1.00 0.00 O ATOM 343 OD2 ASP A 23 -12.433 -3.395 -3.198 1.00 0.00 O ATOM 0 H ASP A 23 -12.278 -5.674 0.447 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.635 -6.882 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.156 -5.118 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.589 -6.171 -3.218 1.00 0.00 H new ATOM 348 N ARG A 24 -10.746 -7.491 -0.401 1.00 0.00 N ATOM 349 CA ARG A 24 -9.810 -8.549 -0.036 1.00 0.00 C ATOM 350 C ARG A 24 -8.649 -7.993 0.780 1.00 0.00 C ATOM 351 O ARG A 24 -8.583 -8.178 1.995 1.00 0.00 O ATOM 352 CB ARG A 24 -9.285 -9.254 -1.291 1.00 0.00 C ATOM 353 CG ARG A 24 -9.514 -10.756 -1.285 1.00 0.00 C ATOM 354 CD ARG A 24 -9.838 -11.276 -2.677 1.00 0.00 C ATOM 355 NE ARG A 24 -11.238 -11.057 -3.032 1.00 0.00 N ATOM 356 CZ ARG A 24 -12.249 -11.756 -2.524 1.00 0.00 C ATOM 357 NH1 ARG A 24 -12.022 -12.720 -1.640 1.00 0.00 N ATOM 358 NH2 ARG A 24 -13.494 -11.492 -2.901 1.00 0.00 N ATOM 0 H ARG A 24 -10.488 -6.566 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.343 -9.274 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.769 -8.825 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.217 -9.058 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.625 -11.259 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.331 -10.998 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.197 -10.781 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.614 -12.342 -2.727 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.453 -10.325 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.068 -12.928 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.802 -13.252 -1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.675 -10.753 -3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.269 -12.028 -2.511 1.00 0.00 H new ATOM 372 N VAL A 25 -7.738 -7.315 0.099 1.00 0.00 N ATOM 373 CA VAL A 25 -6.571 -6.728 0.750 1.00 0.00 C ATOM 374 C VAL A 25 -6.560 -5.210 0.590 1.00 0.00 C ATOM 375 O VAL A 25 -7.504 -4.625 0.059 1.00 0.00 O ATOM 376 CB VAL A 25 -5.250 -7.305 0.192 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.651 -8.307 1.168 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.462 -7.947 -1.173 1.00 0.00 C ATOM 0 H VAL A 25 -7.782 -7.156 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.643 -6.982 1.808 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.549 -6.480 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.722 -8.703 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.448 -7.813 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.354 -9.124 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.515 -8.344 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.185 -8.758 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.837 -7.200 -1.872 1.00 0.00 H new ATOM 388 N VAL A 26 -5.483 -4.579 1.052 1.00 0.00 N ATOM 389 CA VAL A 26 -5.338 -3.145 0.964 1.00 0.00 C ATOM 390 C VAL A 26 -3.868 -2.740 0.951 1.00 0.00 C ATOM 391 O VAL A 26 -3.030 -3.390 1.576 1.00 0.00 O ATOM 392 CB VAL A 26 -6.047 -2.418 2.126 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.296 -0.960 1.775 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.349 -3.114 2.490 1.00 0.00 C ATOM 0 H VAL A 26 -4.695 -5.053 1.494 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.808 -2.847 0.027 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.392 -2.453 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.797 -0.466 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.345 -0.466 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.925 -0.902 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.829 -2.582 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.012 -3.120 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.140 -4.140 2.795 1.00 0.00 H new ATOM 404 N VAL A 27 -3.560 -1.661 0.237 1.00 0.00 N ATOM 405 CA VAL A 27 -2.191 -1.172 0.146 1.00 0.00 C ATOM 406 C VAL A 27 -2.114 0.308 0.515 1.00 0.00 C ATOM 407 O VAL A 27 -3.061 1.063 0.295 1.00 0.00 O ATOM 408 CB VAL A 27 -1.618 -1.373 -1.271 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.196 -0.840 -1.361 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.669 -2.843 -1.660 1.00 0.00 C ATOM 0 H VAL A 27 -4.241 -1.110 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.596 -1.750 0.853 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.233 -0.809 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.187 -0.993 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.191 0.225 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.437 -1.369 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.261 -2.968 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.080 -3.427 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.703 -3.188 -1.643 1.00 0.00 H new ATOM 420 N ILE A 28 -0.981 0.714 1.079 1.00 0.00 N ATOM 421 CA ILE A 28 -0.781 2.102 1.479 1.00 0.00 C ATOM 422 C ILE A 28 0.658 2.542 1.231 1.00 0.00 C ATOM 423 O ILE A 28 1.602 1.818 1.543 1.00 0.00 O ATOM 424 CB ILE A 28 -1.120 2.313 2.967 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.494 1.720 3.289 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.079 3.793 3.317 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.637 2.428 2.596 1.00 0.00 C ATOM 0 H ILE A 28 -0.188 0.102 1.269 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.454 2.707 0.872 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.373 1.798 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.502 0.668 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.654 1.759 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.321 3.924 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.081 4.185 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.806 4.331 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.579 1.954 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.655 3.474 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.502 2.367 1.516 1.00 0.00 H new ATOM 439 N ARG A 29 0.817 3.735 0.664 1.00 0.00 N ATOM 440 CA ARG A 29 2.142 4.271 0.374 1.00 0.00 C ATOM 441 C ARG A 29 2.448 5.475 1.258 1.00 0.00 C ATOM 442 O ARG A 29 1.585 6.322 1.491 1.00 0.00 O ATOM 443 CB ARG A 29 2.242 4.667 -1.100 1.00 0.00 C ATOM 444 CG ARG A 29 3.606 5.211 -1.493 1.00 0.00 C ATOM 445 CD ARG A 29 3.585 5.811 -2.889 1.00 0.00 C ATOM 446 NE ARG A 29 3.379 7.257 -2.860 1.00 0.00 N ATOM 447 CZ ARG A 29 2.964 7.968 -3.906 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.711 7.372 -5.064 1.00 0.00 N ATOM 449 NH2 ARG A 29 2.801 9.280 -3.793 1.00 0.00 N ATOM 0 H ARG A 29 0.046 4.347 0.397 1.00 0.00 H new ATOM 0 HA ARG A 29 2.876 3.493 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.015 3.798 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.484 5.419 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.917 5.969 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.344 4.410 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.525 5.589 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.792 5.343 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 29 3.564 7.751 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.834 6.364 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.393 7.922 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.994 9.743 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.483 9.825 -4.594 1.00 0.00 H new ATOM 463 N PHE A 30 3.681 5.546 1.748 1.00 0.00 N ATOM 464 CA PHE A 30 4.101 6.648 2.605 1.00 0.00 C ATOM 465 C PHE A 30 5.095 7.552 1.884 1.00 0.00 C ATOM 466 O PHE A 30 6.220 7.145 1.592 1.00 0.00 O ATOM 467 CB PHE A 30 4.727 6.110 3.894 1.00 0.00 C ATOM 468 CG PHE A 30 3.715 5.684 4.919 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.979 6.627 5.619 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.501 4.340 5.184 1.00 0.00 C ATOM 471 CE1 PHE A 30 2.048 6.238 6.563 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.572 3.945 6.127 1.00 0.00 C ATOM 473 CZ PHE A 30 1.844 4.895 6.817 1.00 0.00 C ATOM 0 H PHE A 30 4.407 4.853 1.566 1.00 0.00 H new ATOM 0 HA PHE A 30 3.218 7.236 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.366 5.261 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.368 6.879 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.135 7.678 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.067 3.593 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.481 6.982 7.102 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.415 2.895 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.116 4.589 7.554 1.00 0.00 H new ATOM 483 N GLY A 31 4.673 8.778 1.597 1.00 0.00 N ATOM 484 CA GLY A 31 5.538 9.720 0.911 1.00 0.00 C ATOM 485 C GLY A 31 4.761 10.760 0.130 1.00 0.00 C ATOM 486 O GLY A 31 3.533 10.703 0.058 1.00 0.00 O ATOM 0 H GLY A 31 3.746 9.137 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.176 10.220 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.195 9.177 0.232 1.00 0.00 H new ATOM 490 N HIS A 32 5.477 11.714 -0.457 1.00 0.00 N ATOM 491 CA HIS A 32 4.847 12.772 -1.238 1.00 0.00 C ATOM 492 C HIS A 32 4.880 12.443 -2.727 1.00 0.00 C ATOM 493 O HIS A 32 5.840 11.853 -3.220 1.00 0.00 O ATOM 494 CB HIS A 32 5.546 14.109 -0.983 1.00 0.00 C ATOM 495 CG HIS A 32 4.804 15.287 -1.532 1.00 0.00 C ATOM 496 ND1 HIS A 32 5.428 16.449 -1.934 1.00 0.00 N ATOM 497 CD2 HIS A 32 3.481 15.479 -1.749 1.00 0.00 C ATOM 498 CE1 HIS A 32 4.522 17.306 -2.370 1.00 0.00 C ATOM 499 NE2 HIS A 32 3.333 16.741 -2.270 1.00 0.00 N ATOM 0 H HIS A 32 6.494 11.776 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 32 3.806 12.849 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.678 14.242 0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.542 14.079 -1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.690 14.771 -1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.720 18.299 -2.744 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.448 17.172 -2.537 1.00 0.00 H new ATOM 508 N ASP A 33 3.825 12.830 -3.436 1.00 0.00 N ATOM 509 CA ASP A 33 3.732 12.577 -4.870 1.00 0.00 C ATOM 510 C ASP A 33 4.902 13.211 -5.614 1.00 0.00 C ATOM 511 O ASP A 33 5.338 12.709 -6.650 1.00 0.00 O ATOM 512 CB ASP A 33 2.410 13.116 -5.420 1.00 0.00 C ATOM 513 CG ASP A 33 2.201 14.580 -5.085 1.00 0.00 C ATOM 514 OD1 ASP A 33 2.834 15.435 -5.739 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.402 14.872 -4.171 1.00 0.00 O ATOM 0 H ASP A 33 3.022 13.320 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 33 3.770 11.499 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.390 12.987 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.585 12.531 -5.014 1.00 0.00 H new ATOM 520 N TRP A 34 5.409 14.317 -5.077 1.00 0.00 N ATOM 521 CA TRP A 34 6.531 15.020 -5.690 1.00 0.00 C ATOM 522 C TRP A 34 7.751 14.111 -5.802 1.00 0.00 C ATOM 523 O TRP A 34 8.578 14.274 -6.699 1.00 0.00 O ATOM 524 CB TRP A 34 6.881 16.268 -4.878 1.00 0.00 C ATOM 525 CG TRP A 34 7.639 17.295 -5.664 1.00 0.00 C ATOM 526 CD1 TRP A 34 8.973 17.285 -5.953 1.00 0.00 C ATOM 527 CD2 TRP A 34 7.106 18.483 -6.260 1.00 0.00 C ATOM 528 NE1 TRP A 34 9.303 18.395 -6.693 1.00 0.00 N ATOM 529 CE2 TRP A 34 8.174 19.146 -6.895 1.00 0.00 C ATOM 530 CE3 TRP A 34 5.830 19.051 -6.320 1.00 0.00 C ATOM 531 CZ2 TRP A 34 8.004 20.347 -7.579 1.00 0.00 C ATOM 532 CZ3 TRP A 34 5.663 20.243 -6.999 1.00 0.00 C ATOM 533 CH2 TRP A 34 6.744 20.879 -7.622 1.00 0.00 C ATOM 0 H TRP A 34 5.061 14.745 -4.219 1.00 0.00 H new ATOM 0 HA TRP A 34 6.234 15.320 -6.695 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.962 16.716 -4.500 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.473 15.974 -4.011 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.667 16.517 -5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.236 18.623 -7.036 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.990 18.567 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.836 20.841 -8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.682 20.692 -7.050 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.580 21.808 -8.147 1.00 0.00 H new ATOM 544 N ASP A 35 7.859 13.156 -4.883 1.00 0.00 N ATOM 545 CA ASP A 35 8.978 12.222 -4.877 1.00 0.00 C ATOM 546 C ASP A 35 9.051 11.448 -6.193 1.00 0.00 C ATOM 547 O ASP A 35 8.029 11.198 -6.832 1.00 0.00 O ATOM 548 CB ASP A 35 8.852 11.248 -3.705 1.00 0.00 C ATOM 549 CG ASP A 35 9.223 11.886 -2.381 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.424 12.160 -2.170 1.00 0.00 O ATOM 551 OD2 ASP A 35 8.315 12.112 -1.555 1.00 0.00 O ATOM 0 H ASP A 35 7.184 13.009 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 35 9.897 12.798 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.828 10.878 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.494 10.385 -3.882 1.00 0.00 H new ATOM 556 N PRO A 36 10.265 11.056 -6.613 1.00 0.00 N ATOM 557 CA PRO A 36 10.467 10.306 -7.857 1.00 0.00 C ATOM 558 C PRO A 36 9.881 8.900 -7.786 1.00 0.00 C ATOM 559 O PRO A 36 9.184 8.460 -8.700 1.00 0.00 O ATOM 560 CB PRO A 36 11.991 10.244 -7.998 1.00 0.00 C ATOM 561 CG PRO A 36 12.508 10.404 -6.610 1.00 0.00 C ATOM 562 CD PRO A 36 11.536 11.311 -5.909 1.00 0.00 C ATOM 0 HA PRO A 36 9.969 10.781 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.310 9.296 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.360 11.034 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.576 9.440 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.510 10.834 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.462 11.077 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.835 12.356 -5.985 1.00 0.00 H new ATOM 570 N THR A 37 10.170 8.198 -6.693 1.00 0.00 N ATOM 571 CA THR A 37 9.676 6.846 -6.499 1.00 0.00 C ATOM 572 C THR A 37 8.158 6.800 -6.621 1.00 0.00 C ATOM 573 O THR A 37 7.589 5.806 -7.070 1.00 0.00 O ATOM 574 CB THR A 37 10.106 6.315 -5.130 1.00 0.00 C ATOM 575 OG1 THR A 37 11.517 6.353 -4.999 1.00 0.00 O ATOM 576 CG2 THR A 37 9.660 4.892 -4.872 1.00 0.00 C ATOM 0 H THR A 37 10.746 8.549 -5.928 1.00 0.00 H new ATOM 0 HA THR A 37 10.104 6.214 -7.277 1.00 0.00 H new ATOM 0 HB THR A 37 9.623 6.967 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.779 5.926 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.998 4.578 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.572 4.838 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.088 4.234 -5.628 1.00 0.00 H new ATOM 584 N CYS A 38 7.511 7.886 -6.217 1.00 0.00 N ATOM 585 CA CYS A 38 6.057 7.978 -6.278 1.00 0.00 C ATOM 586 C CYS A 38 5.587 8.171 -7.716 1.00 0.00 C ATOM 587 O CYS A 38 4.517 7.696 -8.100 1.00 0.00 O ATOM 588 CB CYS A 38 5.560 9.133 -5.407 1.00 0.00 C ATOM 589 SG CYS A 38 5.974 8.964 -3.655 1.00 0.00 S ATOM 0 H CYS A 38 7.970 8.716 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 38 5.642 7.044 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.983 10.065 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.478 9.211 -5.508 1.00 0.00 H new ATOM 0 HG CYS A 38 5.925 10.130 -3.083 1.00 0.00 H new ATOM 595 N MET A 39 6.393 8.871 -8.508 1.00 0.00 N ATOM 596 CA MET A 39 6.061 9.125 -9.904 1.00 0.00 C ATOM 597 C MET A 39 6.137 7.841 -10.723 1.00 0.00 C ATOM 598 O MET A 39 5.353 7.637 -11.651 1.00 0.00 O ATOM 599 CB MET A 39 7.005 10.176 -10.492 1.00 0.00 C ATOM 600 CG MET A 39 6.824 11.561 -9.891 1.00 0.00 C ATOM 601 SD MET A 39 7.847 12.806 -10.699 1.00 0.00 S ATOM 602 CE MET A 39 6.684 13.487 -11.880 1.00 0.00 C ATOM 0 H MET A 39 7.281 9.272 -8.206 1.00 0.00 H new ATOM 0 HA MET A 39 5.039 9.501 -9.946 1.00 0.00 H new ATOM 0 HB2 MET A 39 8.035 9.854 -10.338 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.846 10.233 -11.569 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.776 11.852 -9.967 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.069 11.527 -8.830 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.170 14.273 -12.458 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.345 12.699 -12.552 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.828 13.904 -11.349 1.00 0.00 H new ATOM 612 N LYS A 40 7.086 6.979 -10.375 1.00 0.00 N ATOM 613 CA LYS A 40 7.265 5.714 -11.078 1.00 0.00 C ATOM 614 C LYS A 40 6.353 4.635 -10.501 1.00 0.00 C ATOM 615 O LYS A 40 5.695 3.903 -11.240 1.00 0.00 O ATOM 616 CB LYS A 40 8.724 5.262 -10.995 1.00 0.00 C ATOM 617 CG LYS A 40 9.233 4.610 -12.270 1.00 0.00 C ATOM 618 CD LYS A 40 10.749 4.674 -12.362 1.00 0.00 C ATOM 619 CE LYS A 40 11.264 3.942 -13.590 1.00 0.00 C ATOM 620 NZ LYS A 40 12.567 4.490 -14.058 1.00 0.00 N ATOM 0 H LYS A 40 7.743 7.133 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 40 6.998 5.868 -12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.350 6.124 -10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.831 4.558 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.909 3.570 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.794 5.107 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.069 5.715 -12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.188 4.236 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.377 2.883 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.530 4.017 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.037 3.793 -14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.403 5.366 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.172 4.695 -13.237 1.00 0.00 H new ATOM 634 N MET A 41 6.318 4.545 -9.175 1.00 0.00 N ATOM 635 CA MET A 41 5.486 3.556 -8.497 1.00 0.00 C ATOM 636 C MET A 41 4.018 3.731 -8.870 1.00 0.00 C ATOM 637 O MET A 41 3.423 2.865 -9.512 1.00 0.00 O ATOM 638 CB MET A 41 5.656 3.671 -6.981 1.00 0.00 C ATOM 639 CG MET A 41 5.114 2.475 -6.216 1.00 0.00 C ATOM 640 SD MET A 41 3.325 2.538 -6.005 1.00 0.00 S ATOM 641 CE MET A 41 2.841 0.996 -6.776 1.00 0.00 C ATOM 0 H MET A 41 6.856 5.144 -8.549 1.00 0.00 H new ATOM 0 HA MET A 41 5.808 2.565 -8.819 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.715 3.790 -6.750 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.151 4.573 -6.634 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.382 1.560 -6.744 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.590 2.429 -5.237 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.033 0.540 -6.203 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.500 1.189 -7.793 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.695 0.319 -6.802 1.00 0.00 H new ATOM 651 N ASP A 42 3.439 4.858 -8.464 1.00 0.00 N ATOM 652 CA ASP A 42 2.039 5.151 -8.756 1.00 0.00 C ATOM 653 C ASP A 42 1.733 4.956 -10.238 1.00 0.00 C ATOM 654 O ASP A 42 0.675 4.441 -10.602 1.00 0.00 O ATOM 655 CB ASP A 42 1.700 6.583 -8.338 1.00 0.00 C ATOM 656 CG ASP A 42 0.290 6.709 -7.795 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.117 5.845 -6.992 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.408 7.673 -8.175 1.00 0.00 O ATOM 0 H ASP A 42 3.918 5.584 -7.931 1.00 0.00 H new ATOM 0 HA ASP A 42 1.424 4.455 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.409 6.915 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.817 7.246 -9.195 1.00 0.00 H new ATOM 663 N GLU A 43 2.669 5.367 -11.090 1.00 0.00 N ATOM 664 CA GLU A 43 2.500 5.233 -12.533 1.00 0.00 C ATOM 665 C GLU A 43 2.230 3.781 -12.911 1.00 0.00 C ATOM 666 O GLU A 43 1.526 3.502 -13.882 1.00 0.00 O ATOM 667 CB GLU A 43 3.746 5.741 -13.262 1.00 0.00 C ATOM 668 CG GLU A 43 3.629 7.181 -13.735 1.00 0.00 C ATOM 669 CD GLU A 43 4.870 7.658 -14.464 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.170 7.112 -15.546 1.00 0.00 O ATOM 671 OE2 GLU A 43 5.542 8.579 -13.952 1.00 0.00 O ATOM 0 H GLU A 43 3.550 5.795 -10.806 1.00 0.00 H new ATOM 0 HA GLU A 43 1.643 5.835 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.606 5.654 -12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.941 5.100 -14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.766 7.274 -14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.445 7.828 -12.877 1.00 0.00 H new ATOM 678 N VAL A 44 2.789 2.860 -12.133 1.00 0.00 N ATOM 679 CA VAL A 44 2.606 1.436 -12.379 1.00 0.00 C ATOM 680 C VAL A 44 1.197 0.998 -11.993 1.00 0.00 C ATOM 681 O VAL A 44 0.536 0.270 -12.733 1.00 0.00 O ATOM 682 CB VAL A 44 3.628 0.591 -11.595 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.648 -0.840 -12.112 1.00 0.00 C ATOM 684 CG2 VAL A 44 5.014 1.216 -11.674 1.00 0.00 C ATOM 0 H VAL A 44 3.373 3.076 -11.325 1.00 0.00 H new ATOM 0 HA VAL A 44 2.760 1.273 -13.446 1.00 0.00 H new ATOM 0 HB VAL A 44 3.326 0.569 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.376 -1.421 -11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.659 -1.283 -11.994 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.923 -0.842 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.721 0.604 -11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.329 1.273 -12.716 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.986 2.219 -11.249 1.00 0.00 H new ATOM 694 N LEU A 45 0.742 1.455 -10.828 1.00 0.00 N ATOM 695 CA LEU A 45 -0.591 1.120 -10.337 1.00 0.00 C ATOM 696 C LEU A 45 -1.644 1.346 -11.417 1.00 0.00 C ATOM 697 O LEU A 45 -2.463 0.472 -11.693 1.00 0.00 O ATOM 698 CB LEU A 45 -0.926 1.959 -9.103 1.00 0.00 C ATOM 699 CG LEU A 45 -0.330 1.448 -7.790 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.206 2.582 -6.785 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.181 0.321 -7.223 1.00 0.00 C ATOM 0 H LEU A 45 1.279 2.059 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.595 0.064 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.577 2.978 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.010 2.006 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 45 0.668 1.058 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.220 2.201 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.443 3.358 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.192 3.002 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.743 -0.031 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.191 0.686 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.220 -0.501 -7.938 1.00 0.00 H new ATOM 713 N TYR A 46 -1.613 2.528 -12.028 1.00 0.00 N ATOM 714 CA TYR A 46 -2.565 2.869 -13.080 1.00 0.00 C ATOM 715 C TYR A 46 -2.560 1.817 -14.183 1.00 0.00 C ATOM 716 O TYR A 46 -3.610 1.442 -14.705 1.00 0.00 O ATOM 717 CB TYR A 46 -2.235 4.242 -13.668 1.00 0.00 C ATOM 718 CG TYR A 46 -2.739 5.399 -12.835 1.00 0.00 C ATOM 719 CD1 TYR A 46 -2.194 5.670 -11.586 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.761 6.219 -13.297 1.00 0.00 C ATOM 721 CE1 TYR A 46 -2.653 6.726 -10.822 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.225 7.278 -12.539 1.00 0.00 C ATOM 723 CZ TYR A 46 -3.667 7.526 -11.302 1.00 0.00 C ATOM 724 OH TYR A 46 -4.127 8.578 -10.544 1.00 0.00 O ATOM 0 H TYR A 46 -0.940 3.264 -11.813 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.561 2.899 -12.638 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.154 4.329 -13.778 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.664 4.312 -14.667 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.399 5.045 -11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.200 6.026 -14.265 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.219 6.923 -9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.019 7.907 -12.913 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.107 8.596 -10.569 1.00 0.00 H new ATOM 734 N SER A 47 -1.370 1.346 -14.530 1.00 0.00 N ATOM 735 CA SER A 47 -1.220 0.335 -15.571 1.00 0.00 C ATOM 736 C SER A 47 -1.277 -1.078 -14.989 1.00 0.00 C ATOM 737 O SER A 47 -1.005 -2.054 -15.689 1.00 0.00 O ATOM 738 CB SER A 47 0.102 0.536 -16.315 1.00 0.00 C ATOM 739 OG SER A 47 -0.037 1.492 -17.352 1.00 0.00 O ATOM 0 H SER A 47 -0.493 1.647 -14.106 1.00 0.00 H new ATOM 0 HA SER A 47 -2.050 0.449 -16.268 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.871 0.863 -15.615 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.435 -0.414 -16.734 1.00 0.00 H new ATOM 0 HG SER A 47 0.822 1.604 -17.811 1.00 0.00 H new ATOM 745 N ILE A 48 -1.631 -1.187 -13.711 1.00 0.00 N ATOM 746 CA ILE A 48 -1.717 -2.485 -13.054 1.00 0.00 C ATOM 747 C ILE A 48 -2.564 -2.408 -11.783 1.00 0.00 C ATOM 748 O ILE A 48 -2.169 -2.902 -10.727 1.00 0.00 O ATOM 749 CB ILE A 48 -0.314 -3.032 -12.709 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.397 -4.510 -12.319 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.326 -2.211 -11.597 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.736 -5.420 -13.479 1.00 0.00 C ATOM 0 H ILE A 48 -1.862 -0.394 -13.113 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.197 -3.167 -13.755 1.00 0.00 H new ATOM 0 HB ILE A 48 0.316 -2.948 -13.594 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.557 -4.819 -11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.150 -4.631 -11.540 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.313 -2.613 -11.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.422 -1.174 -11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.299 -2.257 -10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.778 -6.452 -13.131 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.704 -5.136 -13.893 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.029 -5.328 -14.249 1.00 0.00 H new ATOM 764 N ALA A 49 -3.729 -1.783 -11.895 1.00 0.00 N ATOM 765 CA ALA A 49 -4.634 -1.639 -10.759 1.00 0.00 C ATOM 766 C ALA A 49 -6.022 -2.180 -11.087 1.00 0.00 C ATOM 767 O ALA A 49 -6.643 -2.858 -10.269 1.00 0.00 O ATOM 768 CB ALA A 49 -4.723 -0.181 -10.337 1.00 0.00 C ATOM 0 H ALA A 49 -4.071 -1.367 -12.761 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.231 -2.223 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.401 -0.088 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.734 0.176 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.098 0.416 -11.168 1.00 0.00 H new ATOM 774 N GLU A 50 -6.505 -1.872 -12.288 1.00 0.00 N ATOM 775 CA GLU A 50 -7.822 -2.320 -12.729 1.00 0.00 C ATOM 776 C GLU A 50 -8.033 -3.804 -12.435 1.00 0.00 C ATOM 777 O GLU A 50 -9.150 -4.236 -12.149 1.00 0.00 O ATOM 778 CB GLU A 50 -7.995 -2.059 -14.226 1.00 0.00 C ATOM 779 CG GLU A 50 -9.435 -2.172 -14.701 1.00 0.00 C ATOM 780 CD GLU A 50 -9.538 -2.465 -16.185 1.00 0.00 C ATOM 781 OE1 GLU A 50 -8.556 -2.205 -16.911 1.00 0.00 O ATOM 782 OE2 GLU A 50 -10.602 -2.954 -16.621 1.00 0.00 O ATOM 0 H GLU A 50 -6.001 -1.312 -12.975 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.569 -1.753 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.622 -1.061 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.381 -2.767 -14.783 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.937 -2.962 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.960 -1.243 -14.481 1.00 0.00 H new ATOM 789 N LYS A 51 -6.956 -4.577 -12.507 1.00 0.00 N ATOM 790 CA LYS A 51 -7.026 -6.012 -12.249 1.00 0.00 C ATOM 791 C LYS A 51 -7.265 -6.288 -10.768 1.00 0.00 C ATOM 792 O LYS A 51 -8.219 -6.974 -10.401 1.00 0.00 O ATOM 793 CB LYS A 51 -5.737 -6.696 -12.706 1.00 0.00 C ATOM 794 CG LYS A 51 -5.585 -6.763 -14.216 1.00 0.00 C ATOM 795 CD LYS A 51 -4.125 -6.856 -14.627 1.00 0.00 C ATOM 796 CE LYS A 51 -3.976 -6.983 -16.134 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.785 -6.245 -16.639 1.00 0.00 N ATOM 0 H LYS A 51 -6.024 -4.235 -12.742 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.865 -6.417 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.884 -6.162 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.710 -7.708 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.127 -7.628 -14.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.035 -5.879 -14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.592 -5.970 -14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.664 -7.716 -14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.891 -8.036 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.873 -6.601 -16.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.719 -6.357 -17.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.877 -5.236 -16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.926 -6.626 -16.194 1.00 0.00 H new ATOM 811 N VAL A 52 -6.393 -5.750 -9.923 1.00 0.00 N ATOM 812 CA VAL A 52 -6.506 -5.938 -8.482 1.00 0.00 C ATOM 813 C VAL A 52 -7.701 -5.177 -7.911 1.00 0.00 C ATOM 814 O VAL A 52 -8.169 -5.474 -6.812 1.00 0.00 O ATOM 815 CB VAL A 52 -5.226 -5.483 -7.754 1.00 0.00 C ATOM 816 CG1 VAL A 52 -4.032 -6.304 -8.214 1.00 0.00 C ATOM 817 CG2 VAL A 52 -4.978 -3.999 -7.983 1.00 0.00 C ATOM 0 H VAL A 52 -5.599 -5.179 -10.212 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.651 -7.006 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.362 -5.645 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.137 -5.969 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.208 -7.357 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.894 -6.175 -9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.070 -3.697 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.863 -3.810 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.823 -3.426 -7.602 1.00 0.00 H new ATOM 827 N LYS A 53 -8.191 -4.193 -8.663 1.00 0.00 N ATOM 828 CA LYS A 53 -9.328 -3.387 -8.233 1.00 0.00 C ATOM 829 C LYS A 53 -10.468 -4.260 -7.713 1.00 0.00 C ATOM 830 O LYS A 53 -11.254 -3.832 -6.868 1.00 0.00 O ATOM 831 CB LYS A 53 -9.826 -2.516 -9.389 1.00 0.00 C ATOM 832 CG LYS A 53 -9.166 -1.147 -9.447 1.00 0.00 C ATOM 833 CD LYS A 53 -9.802 -0.268 -10.510 1.00 0.00 C ATOM 834 CE LYS A 53 -8.807 0.735 -11.071 1.00 0.00 C ATOM 835 NZ LYS A 53 -8.734 1.969 -10.240 1.00 0.00 N ATOM 0 H LYS A 53 -7.816 -3.936 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.992 -2.748 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.646 -3.037 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.904 -2.387 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.247 -0.661 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.103 -1.263 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.186 -0.892 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.654 0.262 -10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.820 0.275 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.093 0.999 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.045 2.627 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.670 2.422 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.437 1.721 -9.275 1.00 0.00 H new ATOM 849 N ASN A 54 -10.554 -5.485 -8.225 1.00 0.00 N ATOM 850 CA ASN A 54 -11.599 -6.415 -7.810 1.00 0.00 C ATOM 851 C ASN A 54 -11.098 -7.351 -6.713 1.00 0.00 C ATOM 852 O ASN A 54 -11.556 -8.488 -6.599 1.00 0.00 O ATOM 853 CB ASN A 54 -12.089 -7.230 -9.007 1.00 0.00 C ATOM 854 CG ASN A 54 -13.170 -6.512 -9.793 1.00 0.00 C ATOM 855 OD1 ASN A 54 -13.313 -5.293 -9.701 1.00 0.00 O ATOM 856 ND2 ASN A 54 -13.937 -7.267 -10.570 1.00 0.00 N ATOM 0 H ASN A 54 -9.913 -5.856 -8.927 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.429 -5.832 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.247 -7.445 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.474 -8.188 -8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.681 -6.840 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.782 -8.274 -10.615 1.00 0.00 H new ATOM 863 N PHE A 55 -10.157 -6.867 -5.910 1.00 0.00 N ATOM 864 CA PHE A 55 -9.595 -7.659 -4.823 1.00 0.00 C ATOM 865 C PHE A 55 -8.995 -6.759 -3.751 1.00 0.00 C ATOM 866 O PHE A 55 -9.494 -6.689 -2.628 1.00 0.00 O ATOM 867 CB PHE A 55 -8.527 -8.615 -5.358 1.00 0.00 C ATOM 868 CG PHE A 55 -9.016 -9.504 -6.465 1.00 0.00 C ATOM 869 CD1 PHE A 55 -9.836 -10.587 -6.191 1.00 0.00 C ATOM 870 CD2 PHE A 55 -8.657 -9.256 -7.780 1.00 0.00 C ATOM 871 CE1 PHE A 55 -10.287 -11.407 -7.208 1.00 0.00 C ATOM 872 CE2 PHE A 55 -9.105 -10.072 -8.801 1.00 0.00 C ATOM 873 CZ PHE A 55 -9.921 -11.150 -8.515 1.00 0.00 C ATOM 0 H PHE A 55 -9.767 -5.928 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.401 -8.241 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.678 -8.033 -5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.163 -9.235 -4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.126 -10.793 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.020 -8.415 -8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.925 -12.248 -6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.818 -9.868 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.272 -11.790 -9.311 1.00 0.00 H new ATOM 883 N ALA A 56 -7.925 -6.072 -4.113 1.00 0.00 N ATOM 884 CA ALA A 56 -7.245 -5.167 -3.193 1.00 0.00 C ATOM 885 C ALA A 56 -7.607 -3.717 -3.487 1.00 0.00 C ATOM 886 O ALA A 56 -8.220 -3.413 -4.511 1.00 0.00 O ATOM 887 CB ALA A 56 -5.740 -5.365 -3.276 1.00 0.00 C ATOM 0 H ALA A 56 -7.505 -6.122 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.575 -5.399 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.245 -4.683 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.493 -6.393 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.402 -5.160 -4.292 1.00 0.00 H new ATOM 893 N VAL A 57 -7.227 -2.825 -2.581 1.00 0.00 N ATOM 894 CA VAL A 57 -7.511 -1.405 -2.741 1.00 0.00 C ATOM 895 C VAL A 57 -6.409 -0.558 -2.113 1.00 0.00 C ATOM 896 O VAL A 57 -6.375 -0.362 -0.897 1.00 0.00 O ATOM 897 CB VAL A 57 -8.870 -1.037 -2.113 1.00 0.00 C ATOM 898 CG1 VAL A 57 -8.891 -1.391 -0.635 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.184 0.438 -2.324 1.00 0.00 C ATOM 0 H VAL A 57 -6.721 -3.060 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.552 -1.197 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.645 -1.619 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.859 -1.123 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.726 -2.462 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.104 -0.842 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.148 0.673 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.407 1.045 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.222 0.653 -3.392 1.00 0.00 H new ATOM 909 N ILE A 58 -5.504 -0.066 -2.952 1.00 0.00 N ATOM 910 CA ILE A 58 -4.391 0.754 -2.489 1.00 0.00 C ATOM 911 C ILE A 58 -4.847 2.175 -2.160 1.00 0.00 C ATOM 912 O ILE A 58 -5.941 2.590 -2.541 1.00 0.00 O ATOM 913 CB ILE A 58 -3.266 0.804 -3.545 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.002 1.427 -2.952 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.718 1.577 -4.777 1.00 0.00 C ATOM 916 CD1 ILE A 58 -0.732 1.003 -3.656 1.00 0.00 C ATOM 0 H ILE A 58 -5.520 -0.222 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.006 0.292 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.036 -0.217 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.087 2.513 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.932 1.155 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.910 1.600 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.589 1.089 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.978 2.596 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.124 1.483 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.623 -0.080 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.780 1.299 -4.704 1.00 0.00 H new ATOM 928 N TYR A 59 -3.994 2.919 -1.460 1.00 0.00 N ATOM 929 CA TYR A 59 -4.292 4.284 -1.090 1.00 0.00 C ATOM 930 C TYR A 59 -3.015 5.039 -0.735 1.00 0.00 C ATOM 931 O TYR A 59 -2.313 4.683 0.211 1.00 0.00 O ATOM 932 CB TYR A 59 -5.270 4.331 0.086 1.00 0.00 C ATOM 933 CG TYR A 59 -6.684 3.939 -0.275 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.476 4.764 -1.063 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.231 2.744 0.177 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.771 4.410 -1.391 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.525 2.383 -0.146 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.290 3.220 -0.930 1.00 0.00 C ATOM 939 OH TYR A 59 -10.580 2.865 -1.254 1.00 0.00 O ATOM 0 H TYR A 59 -3.084 2.588 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.758 4.767 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.909 3.668 0.872 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.278 5.340 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.073 5.698 -1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.634 2.086 0.791 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.373 5.063 -2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.935 1.451 0.214 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.815 3.246 -2.126 1.00 0.00 H new ATOM 949 N LEU A 60 -2.718 6.083 -1.503 1.00 0.00 N ATOM 950 CA LEU A 60 -1.524 6.887 -1.271 1.00 0.00 C ATOM 951 C LEU A 60 -1.682 7.744 -0.018 1.00 0.00 C ATOM 952 O LEU A 60 -2.797 8.091 0.372 1.00 0.00 O ATOM 953 CB LEU A 60 -1.242 7.780 -2.482 1.00 0.00 C ATOM 954 CG LEU A 60 -0.784 7.039 -3.739 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.421 6.164 -3.435 1.00 0.00 C ATOM 956 CD2 LEU A 60 -1.921 6.205 -4.310 1.00 0.00 C ATOM 0 H LEU A 60 -3.288 6.391 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.682 6.210 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.146 8.342 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.477 8.507 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.491 7.777 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.732 5.645 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.240 6.786 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.156 5.433 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.577 5.685 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.246 5.476 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.756 6.856 -4.568 1.00 0.00 H new ATOM 968 N VAL A 61 -0.559 8.082 0.606 1.00 0.00 N ATOM 969 CA VAL A 61 -0.573 8.898 1.814 1.00 0.00 C ATOM 970 C VAL A 61 0.538 9.941 1.785 1.00 0.00 C ATOM 971 O VAL A 61 1.662 9.655 1.375 1.00 0.00 O ATOM 972 CB VAL A 61 -0.416 8.033 3.079 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.635 8.869 4.330 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.375 6.853 3.041 1.00 0.00 C ATOM 0 H VAL A 61 0.372 7.804 0.295 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.540 9.401 1.844 1.00 0.00 H new ATOM 0 HB VAL A 61 0.602 7.643 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.520 8.240 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.097 9.676 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.640 9.291 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.250 6.253 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.400 7.219 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.163 6.240 2.165 1.00 0.00 H new ATOM 984 N ASP A 62 0.216 11.154 2.224 1.00 0.00 N ATOM 985 CA ASP A 62 1.187 12.241 2.248 1.00 0.00 C ATOM 986 C ASP A 62 1.786 12.405 3.642 1.00 0.00 C ATOM 987 O ASP A 62 1.082 12.739 4.595 1.00 0.00 O ATOM 988 CB ASP A 62 0.530 13.550 1.806 1.00 0.00 C ATOM 989 CG ASP A 62 0.283 13.596 0.311 1.00 0.00 C ATOM 990 OD1 ASP A 62 1.095 13.021 -0.443 1.00 0.00 O ATOM 991 OD2 ASP A 62 -0.722 14.209 -0.105 1.00 0.00 O ATOM 0 H ASP A 62 -0.710 11.408 2.568 1.00 0.00 H new ATOM 0 HA ASP A 62 1.990 11.993 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.417 13.674 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.166 14.388 2.092 1.00 0.00 H new ATOM 996 N ILE A 63 3.089 12.167 3.752 1.00 0.00 N ATOM 997 CA ILE A 63 3.782 12.289 5.028 1.00 0.00 C ATOM 998 C ILE A 63 3.997 13.752 5.400 1.00 0.00 C ATOM 999 O ILE A 63 4.002 14.110 6.578 1.00 0.00 O ATOM 1000 CB ILE A 63 5.147 11.574 4.997 1.00 0.00 C ATOM 1001 CG1 ILE A 63 4.994 10.161 4.434 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.754 11.533 6.392 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.304 9.414 4.312 1.00 0.00 C ATOM 0 H ILE A 63 3.685 11.889 2.973 1.00 0.00 H new ATOM 0 HA ILE A 63 3.148 11.815 5.778 1.00 0.00 H new ATOM 0 HB ILE A 63 5.819 12.132 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.320 9.594 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.525 10.219 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.718 11.025 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.894 12.550 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.086 10.994 7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.119 8.419 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.973 9.959 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.765 9.324 5.296 1.00 0.00 H new ATOM 1015 N THR A 64 4.174 14.595 4.388 1.00 0.00 N ATOM 1016 CA THR A 64 4.389 16.019 4.608 1.00 0.00 C ATOM 1017 C THR A 64 3.061 16.766 4.676 1.00 0.00 C ATOM 1018 O THR A 64 2.882 17.662 5.502 1.00 0.00 O ATOM 1019 CB THR A 64 5.258 16.604 3.494 1.00 0.00 C ATOM 1020 OG1 THR A 64 6.369 15.765 3.233 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.791 17.984 3.811 1.00 0.00 C ATOM 0 H THR A 64 4.173 14.316 3.407 1.00 0.00 H new ATOM 0 HA THR A 64 4.903 16.139 5.562 1.00 0.00 H new ATOM 0 HB THR A 64 4.603 16.676 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.912 16.155 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.399 18.339 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.958 18.668 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.401 17.940 4.713 1.00 0.00 H new ATOM 1029 N GLU A 65 2.131 16.391 3.803 1.00 0.00 N ATOM 1030 CA GLU A 65 0.818 17.025 3.765 1.00 0.00 C ATOM 1031 C GLU A 65 0.028 16.718 5.033 1.00 0.00 C ATOM 1032 O GLU A 65 -0.679 17.576 5.558 1.00 0.00 O ATOM 1033 CB GLU A 65 0.037 16.553 2.537 1.00 0.00 C ATOM 1034 CG GLU A 65 -0.978 17.567 2.036 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.453 18.397 0.881 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.488 17.905 -0.267 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -0.006 19.538 1.124 1.00 0.00 O ATOM 0 H GLU A 65 2.262 15.652 3.113 1.00 0.00 H new ATOM 0 HA GLU A 65 0.964 18.103 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.739 16.327 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.479 15.624 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.882 17.046 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.260 18.229 2.855 1.00 0.00 H new ATOM 1044 N VAL A 66 0.155 15.488 5.519 1.00 0.00 N ATOM 1045 CA VAL A 66 -0.546 15.066 6.726 1.00 0.00 C ATOM 1046 C VAL A 66 0.296 15.334 7.973 1.00 0.00 C ATOM 1047 O VAL A 66 1.327 14.695 8.181 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.900 13.568 6.674 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.797 13.189 7.843 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.562 13.221 5.349 1.00 0.00 C ATOM 0 H VAL A 66 0.737 14.766 5.095 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.466 15.649 6.778 1.00 0.00 H new ATOM 0 HB VAL A 66 0.023 12.993 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.036 12.127 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.281 13.397 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.718 13.771 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.805 12.159 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.476 13.804 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.880 13.451 4.530 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.132 16.285 8.826 1.00 0.00 N ATOM 1061 CA PRO A 67 0.596 16.625 10.053 1.00 0.00 C ATOM 1062 C PRO A 67 0.895 15.398 10.908 1.00 0.00 C ATOM 1063 O PRO A 67 2.001 15.246 11.429 1.00 0.00 O ATOM 1064 CB PRO A 67 -0.361 17.566 10.787 1.00 0.00 C ATOM 1065 CG PRO A 67 -1.201 18.165 9.714 1.00 0.00 C ATOM 1066 CD PRO A 67 -1.351 17.100 8.664 1.00 0.00 C ATOM 0 HA PRO A 67 1.569 17.068 9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.970 17.025 11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.183 18.333 11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.173 18.469 10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.729 19.057 9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.253 16.508 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.418 17.528 7.664 1.00 0.00 H new ATOM 1235 N ASP A 77 13.708 8.079 5.037 1.00 0.00 N ATOM 1236 CA ASP A 77 13.836 7.296 3.812 1.00 0.00 C ATOM 1237 C ASP A 77 13.078 7.957 2.663 1.00 0.00 C ATOM 1238 O ASP A 77 12.062 8.618 2.875 1.00 0.00 O ATOM 1239 CB ASP A 77 13.313 5.876 4.033 1.00 0.00 C ATOM 1240 CG ASP A 77 14.290 5.013 4.808 1.00 0.00 C ATOM 1241 OD1 ASP A 77 15.161 5.580 5.500 1.00 0.00 O ATOM 1242 OD2 ASP A 77 14.183 3.773 4.722 1.00 0.00 O ATOM 0 HA ASP A 77 14.893 7.249 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.366 5.920 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.110 5.412 3.068 1.00 0.00 H new ATOM 1247 N PRO A 78 13.567 7.784 1.422 1.00 0.00 N ATOM 1248 CA PRO A 78 12.930 8.367 0.235 1.00 0.00 C ATOM 1249 C PRO A 78 11.448 8.022 0.146 1.00 0.00 C ATOM 1250 O PRO A 78 10.592 8.907 0.170 1.00 0.00 O ATOM 1251 CB PRO A 78 13.697 7.735 -0.929 1.00 0.00 C ATOM 1252 CG PRO A 78 15.025 7.378 -0.358 1.00 0.00 C ATOM 1253 CD PRO A 78 14.774 7.010 1.077 1.00 0.00 C ATOM 0 HA PRO A 78 12.969 9.456 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.181 6.854 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.798 8.432 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.472 6.546 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.719 8.216 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.612 5.939 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.618 7.276 1.714 1.00 0.00 H new ATOM 1261 N CYS A 79 11.151 6.731 0.042 1.00 0.00 N ATOM 1262 CA CYS A 79 9.771 6.269 -0.051 1.00 0.00 C ATOM 1263 C CYS A 79 9.692 4.755 0.115 1.00 0.00 C ATOM 1264 O CYS A 79 10.712 4.065 0.109 1.00 0.00 O ATOM 1265 CB CYS A 79 9.164 6.679 -1.393 1.00 0.00 C ATOM 1266 SG CYS A 79 7.381 6.976 -1.336 1.00 0.00 S ATOM 0 H CYS A 79 11.847 5.986 0.020 1.00 0.00 H new ATOM 0 HA CYS A 79 9.203 6.735 0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.661 7.583 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.368 5.898 -2.126 1.00 0.00 H new ATOM 0 HG CYS A 79 7.038 7.750 -2.323 1.00 0.00 H new ATOM 1272 N THR A 80 8.475 4.243 0.262 1.00 0.00 N ATOM 1273 CA THR A 80 8.262 2.811 0.430 1.00 0.00 C ATOM 1274 C THR A 80 6.773 2.485 0.498 1.00 0.00 C ATOM 1275 O THR A 80 5.966 3.314 0.915 1.00 0.00 O ATOM 1276 CB THR A 80 8.962 2.314 1.697 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.837 0.909 1.822 1.00 0.00 O ATOM 1278 CG2 THR A 80 8.418 2.939 2.963 1.00 0.00 C ATOM 0 H THR A 80 7.620 4.800 0.268 1.00 0.00 H new ATOM 0 HA THR A 80 8.688 2.303 -0.436 1.00 0.00 H new ATOM 0 HB THR A 80 10.006 2.607 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.293 0.611 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.957 2.544 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.546 4.021 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.358 2.703 3.059 1.00 0.00 H new ATOM 1286 N VAL A 81 6.418 1.272 0.085 1.00 0.00 N ATOM 1287 CA VAL A 81 5.026 0.838 0.098 1.00 0.00 C ATOM 1288 C VAL A 81 4.838 -0.377 1.001 1.00 0.00 C ATOM 1289 O VAL A 81 5.783 -1.120 1.263 1.00 0.00 O ATOM 1290 CB VAL A 81 4.535 0.491 -1.320 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.043 0.192 -1.313 1.00 0.00 C ATOM 1292 CG2 VAL A 81 4.856 1.621 -2.286 1.00 0.00 C ATOM 0 H VAL A 81 7.075 0.573 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 81 4.437 1.669 0.486 1.00 0.00 H new ATOM 0 HB VAL A 81 5.058 -0.404 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.716 -0.051 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.844 -0.654 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.498 1.066 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.502 1.359 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.362 2.534 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.934 1.781 -2.314 1.00 0.00 H new ATOM 1302 N MET A 82 3.612 -0.571 1.474 1.00 0.00 N ATOM 1303 CA MET A 82 3.298 -1.696 2.347 1.00 0.00 C ATOM 1304 C MET A 82 1.844 -2.123 2.177 1.00 0.00 C ATOM 1305 O MET A 82 1.007 -1.342 1.723 1.00 0.00 O ATOM 1306 CB MET A 82 3.565 -1.326 3.807 1.00 0.00 C ATOM 1307 CG MET A 82 5.043 -1.233 4.149 1.00 0.00 C ATOM 1308 SD MET A 82 5.332 -0.614 5.818 1.00 0.00 S ATOM 1309 CE MET A 82 6.897 -1.395 6.203 1.00 0.00 C ATOM 0 H MET A 82 2.819 0.036 1.267 1.00 0.00 H new ATOM 0 HA MET A 82 3.940 -2.532 2.069 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.089 -0.370 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.097 -2.069 4.453 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.498 -2.218 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.537 -0.578 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.064 -1.365 7.280 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.878 -2.432 5.868 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.703 -0.864 5.696 1.00 0.00 H new ATOM 1319 N PHE A 83 1.547 -3.366 2.545 1.00 0.00 N ATOM 1320 CA PHE A 83 0.192 -3.890 2.431 1.00 0.00 C ATOM 1321 C PHE A 83 -0.433 -4.070 3.810 1.00 0.00 C ATOM 1322 O PHE A 83 0.272 -4.203 4.810 1.00 0.00 O ATOM 1323 CB PHE A 83 0.198 -5.224 1.681 1.00 0.00 C ATOM 1324 CG PHE A 83 0.456 -5.090 0.207 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.588 -4.439 -0.257 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.435 -5.616 -0.714 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.826 -4.317 -1.613 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.202 -5.497 -2.072 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.931 -4.846 -2.521 1.00 0.00 C ATOM 0 H PHE A 83 2.225 -4.027 2.924 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.405 -3.172 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.959 -5.871 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.763 -5.718 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.292 -4.023 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.322 -6.125 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.712 -3.808 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.904 -5.912 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.116 -4.751 -3.581 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.761 -4.071 3.858 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.480 -4.233 5.116 1.00 0.00 C ATOM 1341 C PHE A 84 -3.661 -5.182 4.947 1.00 0.00 C ATOM 1342 O PHE A 84 -4.258 -5.263 3.874 1.00 0.00 O ATOM 1343 CB PHE A 84 -2.966 -2.876 5.626 1.00 0.00 C ATOM 1344 CG PHE A 84 -1.855 -1.898 5.888 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -0.691 -2.304 6.519 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -1.977 -0.572 5.503 1.00 0.00 C ATOM 1347 CE1 PHE A 84 0.333 -1.408 6.761 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -0.956 0.329 5.743 1.00 0.00 C ATOM 1349 CZ PHE A 84 0.199 -0.089 6.373 1.00 0.00 C ATOM 0 H PHE A 84 -2.361 -3.961 3.040 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.795 -4.663 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.651 -2.447 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.532 -3.024 6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.582 -3.334 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.879 -0.239 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.236 -1.738 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.062 1.359 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.997 0.614 6.562 1.00 0.00 H new ATOM 1359 N PHE A 85 -3.990 -5.898 6.015 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.094 -6.844 5.997 1.00 0.00 C ATOM 1361 C PHE A 85 -5.673 -7.001 7.397 1.00 0.00 C ATOM 1362 O PHE A 85 -4.971 -6.799 8.388 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.614 -8.196 5.474 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.683 -9.252 5.457 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.852 -9.062 4.741 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.516 -10.436 6.160 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.837 -10.032 4.724 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.496 -11.409 6.147 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.658 -11.207 5.428 1.00 0.00 C ATOM 0 H PHE A 85 -3.503 -5.839 6.909 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.873 -6.465 5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.227 -8.068 4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.785 -8.541 6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.997 -8.145 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.609 -10.599 6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.745 -9.871 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.354 -12.327 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.426 -11.967 5.416 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.956 -7.354 7.476 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.625 -7.530 8.763 1.00 0.00 C ATOM 1381 C ARG A 86 -7.217 -6.429 9.737 1.00 0.00 C ATOM 1382 O ARG A 86 -7.062 -6.668 10.935 1.00 0.00 O ATOM 1383 CB ARG A 86 -7.293 -8.902 9.353 1.00 0.00 C ATOM 1384 CG ARG A 86 -8.215 -9.315 10.487 1.00 0.00 C ATOM 1385 CD ARG A 86 -9.517 -9.898 9.962 1.00 0.00 C ATOM 1386 NE ARG A 86 -10.576 -8.894 9.885 1.00 0.00 N ATOM 1387 CZ ARG A 86 -11.146 -8.335 10.949 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -10.765 -8.679 12.174 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -12.102 -7.430 10.790 1.00 0.00 N ATOM 0 H ARG A 86 -7.551 -7.523 6.665 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.701 -7.468 8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.345 -9.651 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.265 -8.893 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.713 -10.050 11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.429 -8.451 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.350 -10.325 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.837 -10.713 10.611 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.897 -8.605 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.031 -9.376 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.206 -8.247 12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.400 -7.163 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.539 -7.001 11.606 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.029 -5.226 9.199 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.621 -4.068 9.989 1.00 0.00 C ATOM 1405 C ASN A 87 -5.110 -4.063 10.196 1.00 0.00 C ATOM 1406 O ASN A 87 -4.625 -3.936 11.320 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.342 -4.040 11.342 1.00 0.00 C ATOM 1408 CG ASN A 87 -7.494 -2.632 11.887 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -6.603 -1.796 11.736 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -8.628 -2.363 12.523 1.00 0.00 N ATOM 0 H ASN A 87 -7.155 -5.027 8.206 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.901 -3.172 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.327 -4.494 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.788 -4.646 12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.788 -1.433 12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.340 -3.087 12.625 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.374 -4.200 9.093 1.00 0.00 N ATOM 1418 CA LYS A 88 -2.911 -4.211 9.123 1.00 0.00 C ATOM 1419 C LYS A 88 -2.381 -5.571 9.561 1.00 0.00 C ATOM 1420 O LYS A 88 -2.575 -5.986 10.704 1.00 0.00 O ATOM 1421 CB LYS A 88 -2.376 -3.118 10.056 1.00 0.00 C ATOM 1422 CG LYS A 88 -0.906 -2.794 9.834 1.00 0.00 C ATOM 1423 CD LYS A 88 -0.643 -1.301 9.930 1.00 0.00 C ATOM 1424 CE LYS A 88 0.751 -1.013 10.461 1.00 0.00 C ATOM 1425 NZ LYS A 88 1.810 -1.583 9.581 1.00 0.00 N ATOM 0 H LYS A 88 -4.771 -4.306 8.160 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.560 -4.012 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.965 -2.211 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.518 -3.433 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.301 -3.319 10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.597 -3.156 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.760 -0.846 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.384 -0.841 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.891 0.065 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.850 -1.428 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.738 -1.469 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.623 -2.594 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.809 -1.084 8.668 1.00 0.00 H new ATOM 1439 N HIS A 89 -1.706 -6.259 8.644 1.00 0.00 N ATOM 1440 CA HIS A 89 -1.145 -7.572 8.939 1.00 0.00 C ATOM 1441 C HIS A 89 -0.341 -8.106 7.756 1.00 0.00 C ATOM 1442 O HIS A 89 -0.348 -9.306 7.479 1.00 0.00 O ATOM 1443 CB HIS A 89 -2.260 -8.556 9.304 1.00 0.00 C ATOM 1444 CG HIS A 89 -2.452 -8.720 10.780 1.00 0.00 C ATOM 1445 ND1 HIS A 89 -3.689 -8.895 11.363 1.00 0.00 N ATOM 1446 CD2 HIS A 89 -1.554 -8.737 11.794 1.00 0.00 C ATOM 1447 CE1 HIS A 89 -3.545 -9.012 12.672 1.00 0.00 C ATOM 1448 NE2 HIS A 89 -2.260 -8.919 12.958 1.00 0.00 N ATOM 0 H HIS A 89 -1.535 -5.930 7.694 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.471 -7.466 9.789 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.195 -8.215 8.860 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -2.034 -9.528 8.865 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.483 -8.628 11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.343 -9.159 13.385 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.856 -8.974 13.893 1.00 0.00 H new ATOM 1457 N ILE A 90 0.355 -7.210 7.062 1.00 0.00 N ATOM 1458 CA ILE A 90 1.163 -7.598 5.914 1.00 0.00 C ATOM 1459 C ILE A 90 1.920 -6.402 5.337 1.00 0.00 C ATOM 1460 O ILE A 90 1.760 -6.055 4.166 1.00 0.00 O ATOM 1461 CB ILE A 90 0.292 -8.235 4.814 1.00 0.00 C ATOM 1462 CG1 ILE A 90 1.170 -8.773 3.680 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.722 -7.230 4.284 1.00 0.00 C ATOM 1464 CD1 ILE A 90 0.768 -10.153 3.210 1.00 0.00 C ATOM 0 H ILE A 90 0.375 -6.213 7.275 1.00 0.00 H new ATOM 0 HA ILE A 90 1.886 -8.334 6.265 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.256 -9.072 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.125 -8.083 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.207 -8.799 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.327 -7.699 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.367 -6.900 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.198 -6.371 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.432 -10.471 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.840 -10.856 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.258 -10.128 2.844 1.00 0.00 H new ATOM 1476 N MET A 91 2.747 -5.778 6.168 1.00 0.00 N ATOM 1477 CA MET A 91 3.530 -4.623 5.743 1.00 0.00 C ATOM 1478 C MET A 91 4.665 -5.048 4.815 1.00 0.00 C ATOM 1479 O MET A 91 5.841 -4.910 5.151 1.00 0.00 O ATOM 1480 CB MET A 91 4.094 -3.887 6.960 1.00 0.00 C ATOM 1481 CG MET A 91 4.787 -4.803 7.956 1.00 0.00 C ATOM 1482 SD MET A 91 6.209 -4.022 8.744 1.00 0.00 S ATOM 1483 CE MET A 91 7.518 -5.152 8.275 1.00 0.00 C ATOM 0 H MET A 91 2.893 -6.052 7.140 1.00 0.00 H new ATOM 0 HA MET A 91 2.872 -3.949 5.195 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.802 -3.130 6.621 1.00 0.00 H new ATOM 0 HB3 MET A 91 3.283 -3.362 7.465 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.073 -5.107 8.722 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.112 -5.709 7.445 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.465 -4.804 8.689 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.296 -6.146 8.663 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.590 -5.194 7.188 1.00 0.00 H new ATOM 1493 N ILE A 92 4.303 -5.567 3.645 1.00 0.00 N ATOM 1494 CA ILE A 92 5.291 -6.012 2.670 1.00 0.00 C ATOM 1495 C ILE A 92 5.388 -5.034 1.503 1.00 0.00 C ATOM 1496 O ILE A 92 4.386 -4.463 1.073 1.00 0.00 O ATOM 1497 CB ILE A 92 4.952 -7.417 2.127 1.00 0.00 C ATOM 1498 CG1 ILE A 92 6.065 -7.915 1.203 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.616 -7.402 1.398 1.00 0.00 C ATOM 1500 CD1 ILE A 92 5.891 -9.353 0.768 1.00 0.00 C ATOM 0 H ILE A 92 3.334 -5.689 3.350 1.00 0.00 H new ATOM 0 HA ILE A 92 6.251 -6.054 3.185 1.00 0.00 H new ATOM 0 HB ILE A 92 4.872 -8.103 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.104 -7.279 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.023 -7.811 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.395 -8.401 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.830 -7.090 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.665 -6.703 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.716 -9.638 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.882 -10.000 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.949 -9.459 0.230 1.00 0.00 H new ATOM 1512 N ASP A 93 6.602 -4.844 0.996 1.00 0.00 N ATOM 1513 CA ASP A 93 6.829 -3.931 -0.120 1.00 0.00 C ATOM 1514 C ASP A 93 6.032 -4.361 -1.347 1.00 0.00 C ATOM 1515 O ASP A 93 5.416 -5.427 -1.358 1.00 0.00 O ATOM 1516 CB ASP A 93 8.319 -3.872 -0.461 1.00 0.00 C ATOM 1517 CG ASP A 93 9.187 -3.676 0.767 1.00 0.00 C ATOM 1518 OD1 ASP A 93 9.589 -4.688 1.378 1.00 0.00 O ATOM 1519 OD2 ASP A 93 9.463 -2.510 1.119 1.00 0.00 O ATOM 0 H ASP A 93 7.443 -5.309 1.339 1.00 0.00 H new ATOM 0 HA ASP A 93 6.491 -2.939 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.610 -4.794 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.496 -3.056 -1.162 1.00 0.00 H new ATOM 1524 N LEU A 94 6.049 -3.524 -2.380 1.00 0.00 N ATOM 1525 CA LEU A 94 5.328 -3.816 -3.613 1.00 0.00 C ATOM 1526 C LEU A 94 5.826 -5.113 -4.244 1.00 0.00 C ATOM 1527 O LEU A 94 5.082 -5.799 -4.944 1.00 0.00 O ATOM 1528 CB LEU A 94 5.483 -2.660 -4.604 1.00 0.00 C ATOM 1529 CG LEU A 94 4.581 -1.453 -4.339 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.249 -0.172 -4.814 1.00 0.00 C ATOM 1531 CD2 LEU A 94 3.233 -1.637 -5.019 1.00 0.00 C ATOM 0 H LEU A 94 6.555 -2.638 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 94 4.273 -3.937 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.521 -2.328 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.280 -3.033 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 94 4.417 -1.375 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.592 0.675 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.190 -0.033 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.444 -0.239 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.604 -0.769 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.379 -1.741 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.749 -2.533 -4.631 1.00 0.00 H new ATOM 1543 N GLY A 95 7.089 -5.442 -3.992 1.00 0.00 N ATOM 1544 CA GLY A 95 7.663 -6.655 -4.543 1.00 0.00 C ATOM 1545 C GLY A 95 8.450 -7.445 -3.516 1.00 0.00 C ATOM 1546 O GLY A 95 7.987 -7.652 -2.395 1.00 0.00 O ATOM 0 H GLY A 95 7.725 -4.890 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.866 -7.280 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.316 -6.398 -5.377 1.00 0.00 H new ATOM 1613 N LYS A 101 13.796 -3.701 -0.304 1.00 0.00 N ATOM 1614 CA LYS A 101 12.484 -3.069 -0.287 1.00 0.00 C ATOM 1615 C LYS A 101 12.276 -2.193 -1.519 1.00 0.00 C ATOM 1616 O LYS A 101 13.235 -1.809 -2.189 1.00 0.00 O ATOM 1617 CB LYS A 101 12.316 -2.231 0.981 1.00 0.00 C ATOM 1618 CG LYS A 101 12.066 -3.061 2.231 1.00 0.00 C ATOM 1619 CD LYS A 101 13.350 -3.291 3.013 1.00 0.00 C ATOM 1620 CE LYS A 101 13.072 -3.936 4.361 1.00 0.00 C ATOM 1621 NZ LYS A 101 14.324 -4.183 5.127 1.00 0.00 N ATOM 0 HA LYS A 101 11.733 -3.859 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.212 -1.628 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.485 -1.539 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.338 -2.555 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.632 -4.021 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.020 -3.927 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.862 -2.340 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.412 -3.292 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.546 -4.879 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.091 -4.624 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.944 -4.818 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.813 -3.280 5.293 1.00 0.00 H new ATOM 1635 N ILE A 102 11.018 -1.879 -1.811 1.00 0.00 N ATOM 1636 CA ILE A 102 10.686 -1.048 -2.962 1.00 0.00 C ATOM 1637 C ILE A 102 10.662 0.430 -2.582 1.00 0.00 C ATOM 1638 O ILE A 102 9.597 1.010 -2.374 1.00 0.00 O ATOM 1639 CB ILE A 102 9.320 -1.437 -3.561 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.264 -2.943 -3.821 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.065 -0.663 -4.847 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.358 -3.440 -4.740 1.00 0.00 C ATOM 0 H ILE A 102 10.212 -2.187 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 102 11.461 -1.216 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 102 8.540 -1.181 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.333 -3.470 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.296 -3.193 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.097 -0.949 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.068 0.406 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.848 -0.891 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.255 -4.516 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.277 -2.940 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.331 -3.222 -4.299 1.00 0.00 H new ATOM 1654 N ASN A 103 11.844 1.031 -2.496 1.00 0.00 N ATOM 1655 CA ASN A 103 11.960 2.441 -2.144 1.00 0.00 C ATOM 1656 C ASN A 103 12.276 3.285 -3.375 1.00 0.00 C ATOM 1657 O ASN A 103 11.947 4.470 -3.428 1.00 0.00 O ATOM 1658 CB ASN A 103 13.046 2.635 -1.085 1.00 0.00 C ATOM 1659 CG ASN A 103 14.344 1.945 -1.454 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.650 1.762 -2.633 1.00 0.00 O ATOM 1661 ND2 ASN A 103 15.116 1.557 -0.446 1.00 0.00 N ATOM 0 H ASN A 103 12.735 0.564 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 103 11.003 2.769 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.230 3.701 -0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.691 2.248 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.002 1.087 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.823 1.729 0.516 1.00 0.00 H new ATOM 1668 N TRP A 104 12.919 2.668 -4.363 1.00 0.00 N ATOM 1669 CA TRP A 104 13.278 3.363 -5.593 1.00 0.00 C ATOM 1670 C TRP A 104 12.182 3.219 -6.646 1.00 0.00 C ATOM 1671 O TRP A 104 12.067 4.045 -7.553 1.00 0.00 O ATOM 1672 CB TRP A 104 14.600 2.820 -6.141 1.00 0.00 C ATOM 1673 CG TRP A 104 15.458 3.873 -6.775 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.899 5.028 -6.195 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.977 3.868 -8.109 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.662 5.741 -7.088 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.725 5.051 -8.270 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.883 2.979 -9.183 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.374 5.365 -9.461 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 16.528 3.293 -10.365 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.264 4.476 -10.496 1.00 0.00 C ATOM 0 H TRP A 104 13.201 1.688 -4.335 1.00 0.00 H new ATOM 0 HA TRP A 104 13.393 4.422 -5.360 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.155 2.349 -5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.389 2.043 -6.876 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.680 5.336 -5.183 1.00 0.00 H new ATOM 0 HE1 TRP A 104 17.109 6.639 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.317 2.064 -9.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.943 6.277 -9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.463 2.613 -11.202 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.755 4.692 -11.433 1.00 0.00 H new ATOM 1692 N ALA A 105 11.377 2.167 -6.520 1.00 0.00 N ATOM 1693 CA ALA A 105 10.290 1.916 -7.460 1.00 0.00 C ATOM 1694 C ALA A 105 10.826 1.616 -8.856 1.00 0.00 C ATOM 1695 O ALA A 105 11.440 2.471 -9.495 1.00 0.00 O ATOM 1696 CB ALA A 105 9.339 3.103 -7.502 1.00 0.00 C ATOM 0 H ALA A 105 11.458 1.475 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 105 9.743 1.039 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.534 2.899 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.919 3.268 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.882 3.993 -7.818 1.00 0.00 H new ATOM 1702 N MET A 106 10.590 0.393 -9.323 1.00 0.00 N ATOM 1703 CA MET A 106 11.047 -0.026 -10.644 1.00 0.00 C ATOM 1704 C MET A 106 10.626 -1.463 -10.932 1.00 0.00 C ATOM 1705 O MET A 106 10.847 -2.360 -10.117 1.00 0.00 O ATOM 1706 CB MET A 106 12.569 0.101 -10.746 1.00 0.00 C ATOM 1707 CG MET A 106 13.054 0.520 -12.125 1.00 0.00 C ATOM 1708 SD MET A 106 14.846 0.699 -12.206 1.00 0.00 S ATOM 1709 CE MET A 106 14.993 2.191 -13.186 1.00 0.00 C ATOM 0 H MET A 106 10.084 -0.326 -8.805 1.00 0.00 H new ATOM 0 HA MET A 106 10.585 0.627 -11.385 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.914 0.829 -10.012 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.023 -0.855 -10.485 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.733 -0.219 -12.859 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.586 1.465 -12.399 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.039 2.493 -13.235 1.00 0.00 H new ATOM 0 HE2 MET A 106 14.623 2.002 -14.194 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.407 2.987 -12.727 1.00 0.00 H new ATOM 1719 N GLU A 107 10.014 -1.677 -12.095 1.00 0.00 N ATOM 1720 CA GLU A 107 9.558 -3.009 -12.490 1.00 0.00 C ATOM 1721 C GLU A 107 8.350 -3.452 -11.666 1.00 0.00 C ATOM 1722 O GLU A 107 7.928 -4.606 -11.740 1.00 0.00 O ATOM 1723 CB GLU A 107 10.688 -4.025 -12.331 1.00 0.00 C ATOM 1724 CG GLU A 107 10.690 -5.109 -13.398 1.00 0.00 C ATOM 1725 CD GLU A 107 9.928 -6.349 -12.973 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.711 -6.523 -11.756 1.00 0.00 O ATOM 1727 OE2 GLU A 107 9.550 -7.145 -13.858 1.00 0.00 O ATOM 0 H GLU A 107 9.822 -0.946 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 107 9.259 -2.959 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.643 -3.500 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.608 -4.493 -11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.250 -4.713 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.719 -5.382 -13.631 1.00 0.00 H new ATOM 1734 N ASP A 108 7.799 -2.531 -10.879 1.00 0.00 N ATOM 1735 CA ASP A 108 6.643 -2.830 -10.041 1.00 0.00 C ATOM 1736 C ASP A 108 5.506 -3.440 -10.857 1.00 0.00 C ATOM 1737 O ASP A 108 4.664 -4.159 -10.321 1.00 0.00 O ATOM 1738 CB ASP A 108 6.157 -1.559 -9.341 1.00 0.00 C ATOM 1739 CG ASP A 108 6.826 -1.347 -7.997 1.00 0.00 C ATOM 1740 OD1 ASP A 108 7.017 -2.341 -7.265 1.00 0.00 O ATOM 1741 OD2 ASP A 108 7.160 -0.187 -7.676 1.00 0.00 O ATOM 0 H ASP A 108 8.136 -1.571 -10.805 1.00 0.00 H new ATOM 0 HA ASP A 108 6.953 -3.560 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.352 -0.698 -9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.077 -1.615 -9.202 1.00 0.00 H new ATOM 1746 N LYS A 109 5.483 -3.147 -12.155 1.00 0.00 N ATOM 1747 CA LYS A 109 4.444 -3.670 -13.039 1.00 0.00 C ATOM 1748 C LYS A 109 4.321 -5.185 -12.908 1.00 0.00 C ATOM 1749 O LYS A 109 3.218 -5.732 -12.920 1.00 0.00 O ATOM 1750 CB LYS A 109 4.747 -3.296 -14.491 1.00 0.00 C ATOM 1751 CG LYS A 109 3.592 -3.563 -15.443 1.00 0.00 C ATOM 1752 CD LYS A 109 4.050 -3.554 -16.891 1.00 0.00 C ATOM 1753 CE LYS A 109 4.348 -2.142 -17.372 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.423 -2.065 -18.857 1.00 0.00 N ATOM 0 H LYS A 109 6.170 -2.552 -12.617 1.00 0.00 H new ATOM 0 HA LYS A 109 3.495 -3.223 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.008 -2.239 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.620 -3.855 -14.827 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.142 -4.528 -15.209 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.819 -2.808 -15.300 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.942 -4.171 -16.995 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.279 -3.999 -17.520 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.573 -1.465 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.291 -1.804 -16.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.628 -1.087 -19.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.179 -2.692 -19.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.515 -2.363 -19.266 1.00 0.00 H new ATOM 1768 N GLN A 110 5.461 -5.856 -12.783 1.00 0.00 N ATOM 1769 CA GLN A 110 5.482 -7.309 -12.650 1.00 0.00 C ATOM 1770 C GLN A 110 5.415 -7.722 -11.184 1.00 0.00 C ATOM 1771 O GLN A 110 4.667 -8.631 -10.817 1.00 0.00 O ATOM 1772 CB GLN A 110 6.744 -7.883 -13.296 1.00 0.00 C ATOM 1773 CG GLN A 110 6.874 -7.555 -14.775 1.00 0.00 C ATOM 1774 CD GLN A 110 7.655 -8.605 -15.538 1.00 0.00 C ATOM 1775 OE1 GLN A 110 8.706 -8.320 -16.113 1.00 0.00 O ATOM 1776 NE2 GLN A 110 7.143 -9.831 -15.549 1.00 0.00 N ATOM 0 H GLN A 110 6.382 -5.418 -12.771 1.00 0.00 H new ATOM 0 HA GLN A 110 4.606 -7.708 -13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.618 -7.500 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 110 6.746 -8.966 -13.171 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.880 -7.459 -15.211 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.366 -6.589 -14.887 1.00 0.00 H new ATOM 0 HE21 GLN A 110 6.269 -10.023 -15.059 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.624 -10.580 -16.047 1.00 0.00 H new ATOM 1785 N GLU A 111 6.201 -7.053 -10.347 1.00 0.00 N ATOM 1786 CA GLU A 111 6.233 -7.352 -8.920 1.00 0.00 C ATOM 1787 C GLU A 111 4.858 -7.159 -8.288 1.00 0.00 C ATOM 1788 O GLU A 111 4.451 -7.928 -7.419 1.00 0.00 O ATOM 1789 CB GLU A 111 7.260 -6.464 -8.215 1.00 0.00 C ATOM 1790 CG GLU A 111 8.642 -6.511 -8.848 1.00 0.00 C ATOM 1791 CD GLU A 111 9.187 -7.923 -8.948 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.303 -8.591 -7.899 1.00 0.00 O ATOM 1793 OE2 GLU A 111 9.499 -8.359 -10.076 1.00 0.00 O ATOM 0 H GLU A 111 6.825 -6.299 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 111 6.522 -8.396 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 111 6.902 -5.434 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.337 -6.770 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.597 -6.071 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.328 -5.901 -8.261 1.00 0.00 H new ATOM 1800 N MET A 112 4.149 -6.126 -8.730 1.00 0.00 N ATOM 1801 CA MET A 112 2.819 -5.831 -8.207 1.00 0.00 C ATOM 1802 C MET A 112 1.871 -7.005 -8.433 1.00 0.00 C ATOM 1803 O MET A 112 1.289 -7.539 -7.488 1.00 0.00 O ATOM 1804 CB MET A 112 2.254 -4.572 -8.867 1.00 0.00 C ATOM 1805 CG MET A 112 2.750 -3.280 -8.237 1.00 0.00 C ATOM 1806 SD MET A 112 1.474 -2.009 -8.162 1.00 0.00 S ATOM 1807 CE MET A 112 0.646 -2.450 -6.636 1.00 0.00 C ATOM 0 H MET A 112 4.472 -5.479 -9.449 1.00 0.00 H new ATOM 0 HA MET A 112 2.910 -5.661 -7.134 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.519 -4.576 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 112 1.166 -4.600 -8.811 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.111 -3.487 -7.229 1.00 0.00 H new ATOM 0 HG3 MET A 112 3.599 -2.904 -8.809 1.00 0.00 H new ATOM 0 HE1 MET A 112 -0.418 -2.589 -6.826 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.069 -3.376 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.783 -1.653 -5.905 1.00 0.00 H new ATOM 1817 N VAL A 113 1.718 -7.401 -9.693 1.00 0.00 N ATOM 1818 CA VAL A 113 0.840 -8.509 -10.047 1.00 0.00 C ATOM 1819 C VAL A 113 1.117 -9.738 -9.186 1.00 0.00 C ATOM 1820 O VAL A 113 0.201 -10.481 -8.832 1.00 0.00 O ATOM 1821 CB VAL A 113 1.005 -8.895 -11.528 1.00 0.00 C ATOM 1822 CG1 VAL A 113 -0.029 -9.937 -11.930 1.00 0.00 C ATOM 1823 CG2 VAL A 113 0.908 -7.663 -12.417 1.00 0.00 C ATOM 0 H VAL A 113 2.192 -6.970 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.181 -8.170 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 113 1.995 -9.332 -11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.105 -10.196 -12.980 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.097 -10.830 -11.317 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.030 -9.533 -11.781 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.027 -7.957 -13.460 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.066 -7.192 -12.281 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.693 -6.957 -12.147 1.00 0.00 H new ATOM 1833 N ASP A 114 2.388 -9.950 -8.861 1.00 0.00 N ATOM 1834 CA ASP A 114 2.792 -11.094 -8.053 1.00 0.00 C ATOM 1835 C ASP A 114 2.532 -10.857 -6.567 1.00 0.00 C ATOM 1836 O ASP A 114 2.042 -11.742 -5.868 1.00 0.00 O ATOM 1837 CB ASP A 114 4.274 -11.401 -8.277 1.00 0.00 C ATOM 1838 CG ASP A 114 4.563 -12.889 -8.275 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.680 -13.470 -7.176 1.00 0.00 O ATOM 1840 OD2 ASP A 114 4.674 -13.473 -9.374 1.00 0.00 O ATOM 0 H ASP A 114 3.157 -9.343 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 114 2.191 -11.947 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.591 -10.973 -9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.864 -10.918 -7.498 1.00 0.00 H new ATOM 1845 N ILE A 115 2.872 -9.664 -6.086 1.00 0.00 N ATOM 1846 CA ILE A 115 2.678 -9.335 -4.678 1.00 0.00 C ATOM 1847 C ILE A 115 1.199 -9.274 -4.317 1.00 0.00 C ATOM 1848 O ILE A 115 0.774 -9.832 -3.306 1.00 0.00 O ATOM 1849 CB ILE A 115 3.357 -7.992 -4.302 1.00 0.00 C ATOM 1850 CG1 ILE A 115 3.763 -8.003 -2.828 1.00 0.00 C ATOM 1851 CG2 ILE A 115 2.445 -6.802 -4.593 1.00 0.00 C ATOM 1852 CD1 ILE A 115 4.758 -9.091 -2.483 1.00 0.00 C ATOM 0 H ILE A 115 3.280 -8.915 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 115 3.148 -10.135 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 115 4.250 -7.883 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.192 -7.035 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 115 2.871 -8.130 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.953 -5.878 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.203 -6.780 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.526 -6.897 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.001 -9.039 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.325 -10.065 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.666 -8.953 -3.070 1.00 0.00 H new ATOM 1864 N ILE A 116 0.422 -8.576 -5.139 1.00 0.00 N ATOM 1865 CA ILE A 116 -1.000 -8.429 -4.887 1.00 0.00 C ATOM 1866 C ILE A 116 -1.724 -9.765 -5.021 1.00 0.00 C ATOM 1867 O ILE A 116 -2.723 -10.011 -4.346 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.641 -7.402 -5.842 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.913 -6.059 -5.744 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -3.121 -7.231 -5.526 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.477 -5.509 -7.085 1.00 0.00 C ATOM 0 H ILE A 116 0.755 -8.106 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.104 -8.068 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.549 -7.773 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.567 -5.335 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.037 -6.175 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.557 -6.503 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.631 -8.188 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.236 -6.880 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.032 -4.556 -6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.203 -6.214 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.351 -5.360 -7.719 1.00 0.00 H new ATOM 1883 N GLU A 117 -1.216 -10.624 -5.899 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.817 -11.934 -6.120 1.00 0.00 C ATOM 1885 C GLU A 117 -1.500 -12.881 -4.967 1.00 0.00 C ATOM 1886 O GLU A 117 -2.311 -13.738 -4.614 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.318 -12.531 -7.437 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.954 -13.869 -7.778 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.431 -14.448 -9.078 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -0.226 -14.768 -9.144 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -2.228 -14.581 -10.031 1.00 0.00 O ATOM 0 H GLU A 117 -0.391 -10.437 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.898 -11.805 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.518 -11.827 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.236 -12.655 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.765 -14.574 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.035 -13.746 -7.848 1.00 0.00 H new ATOM 1898 N THR A 118 -0.317 -12.721 -4.383 1.00 0.00 N ATOM 1899 CA THR A 118 0.106 -13.563 -3.270 1.00 0.00 C ATOM 1900 C THR A 118 -0.441 -13.034 -1.948 1.00 0.00 C ATOM 1901 O THR A 118 -0.736 -13.804 -1.034 1.00 0.00 O ATOM 1902 CB THR A 118 1.632 -13.638 -3.211 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.173 -13.875 -4.499 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.143 -14.725 -2.291 1.00 0.00 C ATOM 0 H THR A 118 0.366 -12.016 -4.662 1.00 0.00 H new ATOM 0 HA THR A 118 -0.294 -14.564 -3.432 1.00 0.00 H new ATOM 0 HB THR A 118 1.953 -12.673 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.478 -13.028 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.233 -14.723 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.784 -14.543 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.780 -15.693 -2.635 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.572 -11.715 -1.853 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.082 -11.082 -0.642 1.00 0.00 C ATOM 1914 C VAL A 119 -2.563 -11.390 -0.448 1.00 0.00 C ATOM 1915 O VAL A 119 -3.002 -11.730 0.649 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.858 -9.552 -0.676 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -2.013 -8.819 -1.350 1.00 0.00 C ATOM 1918 CG2 VAL A 119 -0.629 -9.017 0.730 1.00 0.00 C ATOM 0 H VAL A 119 -0.332 -11.063 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.527 -11.493 0.202 1.00 0.00 H new ATOM 0 HB VAL A 119 0.034 -9.366 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.813 -7.748 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.117 -9.170 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.936 -9.015 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.473 -7.939 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.500 -9.234 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.250 -9.494 1.162 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.323 -11.263 -1.527 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.757 -11.522 -1.489 1.00 0.00 C ATOM 1930 C TYR A 120 -5.036 -13.008 -1.277 1.00 0.00 C ATOM 1931 O TYR A 120 -5.928 -13.382 -0.515 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.421 -11.013 -2.780 1.00 0.00 C ATOM 1933 CG TYR A 120 -6.050 -12.092 -3.641 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -7.222 -12.728 -3.247 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -5.472 -12.470 -4.846 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.798 -13.711 -4.030 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -6.043 -13.452 -5.635 1.00 0.00 C ATOM 1938 CZ TYR A 120 -7.205 -14.069 -5.222 1.00 0.00 C ATOM 1939 OH TYR A 120 -7.776 -15.047 -6.004 1.00 0.00 O ATOM 0 H TYR A 120 -2.970 -10.982 -2.442 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.186 -10.982 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -6.189 -10.286 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.674 -10.485 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.690 -12.450 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.562 -11.989 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.708 -14.196 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.581 -13.734 -6.570 1.00 0.00 H new ATOM 0 HH TYR A 120 -7.235 -15.179 -6.810 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.269 -13.846 -1.959 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.430 -15.292 -1.853 1.00 0.00 C ATOM 1951 C ARG A 121 -4.037 -15.784 -0.465 1.00 0.00 C ATOM 1952 O ARG A 121 -4.617 -16.737 0.055 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.590 -15.999 -2.917 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.325 -16.213 -4.230 1.00 0.00 C ATOM 1955 CD ARG A 121 -3.694 -17.329 -5.047 1.00 0.00 C ATOM 1956 NE ARG A 121 -4.695 -18.123 -5.755 1.00 0.00 N ATOM 1957 CZ ARG A 121 -4.399 -19.070 -6.641 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -3.132 -19.345 -6.930 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -5.371 -19.746 -7.239 1.00 0.00 N ATOM 0 H ARG A 121 -3.527 -13.550 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.482 -15.528 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.690 -15.414 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.267 -16.965 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.369 -16.454 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.317 -15.289 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.996 -16.901 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.116 -17.978 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.679 -17.940 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.381 -18.829 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.910 -20.072 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.345 -19.540 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.144 -20.472 -7.918 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.046 -15.130 0.130 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.590 -15.516 1.453 1.00 0.00 C ATOM 1975 C GLY A 122 -3.373 -14.835 2.558 1.00 0.00 C ATOM 1976 O GLY A 122 -3.800 -15.481 3.514 1.00 0.00 O ATOM 0 H GLY A 122 -2.550 -14.339 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.678 -16.597 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.533 -15.270 1.556 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.561 -13.527 2.425 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.298 -12.756 3.419 1.00 0.00 C ATOM 1982 C ALA A 123 -5.787 -12.711 3.086 1.00 0.00 C ATOM 1983 O ALA A 123 -6.390 -11.639 3.032 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.733 -11.347 3.517 1.00 0.00 C ATOM 0 H ALA A 123 -3.213 -12.978 1.639 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.184 -13.249 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.292 -10.782 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.684 -11.395 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.817 -10.853 2.549 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.373 -13.883 2.864 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.791 -13.978 2.537 1.00 0.00 C ATOM 1992 C ARG A 124 -8.623 -14.224 3.792 1.00 0.00 C ATOM 1993 O ARG A 124 -8.101 -14.215 4.906 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.028 -15.101 1.525 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.680 -16.482 2.057 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.611 -17.546 1.497 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.187 -18.003 0.176 1.00 0.00 N ATOM 1998 CZ ARG A 124 -7.115 -18.762 -0.037 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -6.355 -19.151 0.980 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -6.801 -19.134 -1.270 1.00 0.00 N ATOM 0 H ARG A 124 -5.888 -14.780 2.905 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.102 -13.030 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.075 -15.091 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.435 -14.905 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.650 -16.725 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.741 -16.480 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.645 -18.394 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.623 -17.146 1.435 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.745 -17.724 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.592 -18.868 1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.535 -19.733 0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.381 -18.838 -2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.979 -19.716 -1.434 1.00 0.00 H new