USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 4 THR OG1 : rot -94:sc= 0.406 USER MOD Set 1.2: A 9 GLN : amide:sc= -0.207 K(o=0.2,f=-1.2) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.172 (180deg=-1.52) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.772 (180deg=0.76) USER MOD Single : A 6 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 41:sc= 0.163 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 153:sc= -0.579 (180deg=-0.832) USER MOD Single : A 22 THR OG1 : rot 67:sc= 0.832 USER MOD Single : A 26 CYS SG : rot 51:sc= -0.567 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00677 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.748 K(o=0.75,f=-2.6!) USER MOD Single : A 37 TYR OH : rot -29:sc= 0.341 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.913 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 40:sc= 0.553 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0.0074) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 72 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.023) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.156 11.291 -1.069 1.00 0.00 N ATOM 2 CA MET A 1 6.518 9.950 -1.569 1.00 0.00 C ATOM 3 C MET A 1 5.578 9.567 -2.722 1.00 0.00 C ATOM 4 O MET A 1 4.441 9.137 -2.495 1.00 0.00 O ATOM 5 CB MET A 1 6.462 8.912 -0.415 1.00 0.00 C ATOM 6 CG MET A 1 6.874 7.483 -0.796 1.00 0.00 C ATOM 7 SD MET A 1 6.792 6.343 0.596 1.00 0.00 S ATOM 8 CE MET A 1 7.934 7.078 1.758 1.00 0.00 C ATOM 0 H1 MET A 1 6.852 11.596 -0.359 1.00 0.00 H new ATOM 0 H2 MET A 1 6.150 11.966 -1.860 1.00 0.00 H new ATOM 0 H3 MET A 1 5.211 11.257 -0.636 1.00 0.00 H new ATOM 0 HA MET A 1 7.540 9.961 -1.948 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.109 9.256 0.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.446 8.886 -0.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.225 7.123 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.890 7.495 -1.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.318 6.308 2.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.763 7.533 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.419 7.842 2.341 1.00 0.00 H new ATOM 20 N LEU A 2 6.060 9.766 -3.961 1.00 0.00 N ATOM 21 CA LEU A 2 5.298 9.482 -5.182 1.00 0.00 C ATOM 22 C LEU A 2 5.345 7.971 -5.478 1.00 0.00 C ATOM 23 O LEU A 2 6.389 7.441 -5.884 1.00 0.00 O ATOM 24 CB LEU A 2 5.881 10.285 -6.377 1.00 0.00 C ATOM 25 CG LEU A 2 5.152 10.101 -7.752 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.719 10.666 -7.709 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.978 10.709 -8.900 1.00 0.00 C ATOM 0 H LEU A 2 6.995 10.131 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 2 4.261 9.785 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.865 11.344 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.926 10.003 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 2 5.065 9.032 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.242 10.522 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.146 10.146 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.754 11.730 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.450 10.568 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.121 11.775 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.949 10.216 -8.951 1.00 0.00 H new ATOM 39 N VAL A 3 4.227 7.292 -5.211 1.00 0.00 N ATOM 40 CA VAL A 3 4.039 5.854 -5.493 1.00 0.00 C ATOM 41 C VAL A 3 2.782 5.656 -6.352 1.00 0.00 C ATOM 42 O VAL A 3 1.762 6.328 -6.140 1.00 0.00 O ATOM 43 CB VAL A 3 3.932 4.999 -4.168 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.278 4.956 -3.426 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.810 5.519 -3.235 1.00 0.00 C ATOM 0 H VAL A 3 3.409 7.727 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 3 4.917 5.503 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 3 3.670 3.983 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.174 4.361 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.034 4.507 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.581 5.969 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.770 4.904 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.017 6.553 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.852 5.467 -3.753 1.00 0.00 H new ATOM 55 N THR A 4 2.864 4.750 -7.338 1.00 0.00 N ATOM 56 CA THR A 4 1.733 4.415 -8.202 1.00 0.00 C ATOM 57 C THR A 4 0.764 3.492 -7.435 1.00 0.00 C ATOM 58 O THR A 4 1.016 2.296 -7.311 1.00 0.00 O ATOM 59 CB THR A 4 2.242 3.728 -9.511 1.00 0.00 C ATOM 60 OG1 THR A 4 3.161 4.610 -10.180 1.00 0.00 O ATOM 61 CG2 THR A 4 1.086 3.356 -10.465 1.00 0.00 C ATOM 0 H THR A 4 3.716 4.233 -7.555 1.00 0.00 H new ATOM 0 HA THR A 4 1.203 5.325 -8.484 1.00 0.00 H new ATOM 0 HB THR A 4 2.740 2.800 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.677 5.144 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.491 2.882 -11.359 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.408 2.665 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.542 4.258 -10.747 1.00 0.00 H new ATOM 69 N ILE A 5 -0.325 4.075 -6.893 1.00 0.00 N ATOM 70 CA ILE A 5 -1.356 3.327 -6.160 1.00 0.00 C ATOM 71 C ILE A 5 -2.536 3.018 -7.098 1.00 0.00 C ATOM 72 O ILE A 5 -3.206 3.939 -7.582 1.00 0.00 O ATOM 73 CB ILE A 5 -1.860 4.082 -4.875 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.655 4.432 -3.952 1.00 0.00 C ATOM 75 CG2 ILE A 5 -2.914 3.235 -4.106 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.018 5.169 -2.669 1.00 0.00 C ATOM 0 H ILE A 5 -0.510 5.076 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.901 2.398 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.342 5.008 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.138 3.509 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.050 5.042 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.245 3.781 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.769 3.042 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.468 2.288 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.113 5.368 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.505 6.112 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.696 4.555 -2.076 1.00 0.00 H new ATOM 88 N ASN A 6 -2.732 1.711 -7.371 1.00 0.00 N ATOM 89 CA ASN A 6 -3.846 1.154 -8.170 1.00 0.00 C ATOM 90 C ASN A 6 -3.848 1.718 -9.602 1.00 0.00 C ATOM 91 O ASN A 6 -4.902 1.924 -10.208 1.00 0.00 O ATOM 92 CB ASN A 6 -5.198 1.363 -7.425 1.00 0.00 C ATOM 93 CG ASN A 6 -6.317 0.416 -7.882 1.00 0.00 C ATOM 94 OD1 ASN A 6 -6.071 -0.723 -8.265 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.551 0.883 -7.828 1.00 0.00 N ATOM 0 H ASN A 6 -2.098 0.989 -7.030 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.703 0.079 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.036 1.228 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.526 2.392 -7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.333 0.292 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.722 1.835 -7.505 1.00 0.00 H new ATOM 102 N GLY A 7 -2.636 1.941 -10.139 1.00 0.00 N ATOM 103 CA GLY A 7 -2.449 2.442 -11.501 1.00 0.00 C ATOM 104 C GLY A 7 -2.414 3.957 -11.602 1.00 0.00 C ATOM 105 O GLY A 7 -2.218 4.484 -12.693 1.00 0.00 O ATOM 0 H GLY A 7 -1.763 1.778 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.518 2.040 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.255 2.065 -12.130 1.00 0.00 H new ATOM 109 N GLU A 8 -2.623 4.657 -10.477 1.00 0.00 N ATOM 110 CA GLU A 8 -2.585 6.132 -10.424 1.00 0.00 C ATOM 111 C GLU A 8 -1.332 6.613 -9.659 1.00 0.00 C ATOM 112 O GLU A 8 -1.072 6.149 -8.551 1.00 0.00 O ATOM 113 CB GLU A 8 -3.869 6.704 -9.735 1.00 0.00 C ATOM 114 CG GLU A 8 -5.153 6.748 -10.605 1.00 0.00 C ATOM 115 CD GLU A 8 -5.751 5.373 -10.944 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.475 4.806 -10.104 1.00 0.00 O ATOM 117 OE2 GLU A 8 -5.517 4.862 -12.059 1.00 0.00 O ATOM 0 H GLU A 8 -2.823 4.220 -9.577 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.545 6.499 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.077 6.106 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.652 7.716 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.907 7.338 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.927 7.269 -11.535 1.00 0.00 H new ATOM 124 N GLN A 9 -0.585 7.570 -10.252 1.00 0.00 N ATOM 125 CA GLN A 9 0.578 8.212 -9.602 1.00 0.00 C ATOM 126 C GLN A 9 0.079 9.113 -8.456 1.00 0.00 C ATOM 127 O GLN A 9 -0.443 10.210 -8.696 1.00 0.00 O ATOM 128 CB GLN A 9 1.424 9.035 -10.629 1.00 0.00 C ATOM 129 CG GLN A 9 2.334 8.196 -11.563 1.00 0.00 C ATOM 130 CD GLN A 9 1.555 7.218 -12.445 1.00 0.00 C ATOM 131 OE1 GLN A 9 1.320 6.082 -12.057 1.00 0.00 O ATOM 132 NE2 GLN A 9 1.151 7.641 -13.632 1.00 0.00 N ATOM 0 H GLN A 9 -0.771 7.918 -11.193 1.00 0.00 H new ATOM 0 HA GLN A 9 1.230 7.437 -9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.744 9.624 -11.245 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.048 9.740 -10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.910 8.869 -12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.049 7.639 -10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.360 8.593 -13.932 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.631 7.015 -14.247 1.00 0.00 H new ATOM 141 N ARG A 10 0.227 8.622 -7.214 1.00 0.00 N ATOM 142 CA ARG A 10 -0.308 9.274 -6.010 1.00 0.00 C ATOM 143 C ARG A 10 0.829 9.570 -5.020 1.00 0.00 C ATOM 144 O ARG A 10 1.551 8.659 -4.596 1.00 0.00 O ATOM 145 CB ARG A 10 -1.399 8.384 -5.349 1.00 0.00 C ATOM 146 CG ARG A 10 -2.115 9.039 -4.141 1.00 0.00 C ATOM 147 CD ARG A 10 -3.274 8.192 -3.608 1.00 0.00 C ATOM 148 NE ARG A 10 -4.013 8.877 -2.533 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.310 8.678 -2.229 1.00 0.00 C ATOM 150 NH1 ARG A 10 -6.046 7.809 -2.910 1.00 0.00 N ATOM 151 NH2 ARG A 10 -5.862 9.333 -1.213 1.00 0.00 N ATOM 0 H ARG A 10 0.726 7.754 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.770 10.219 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.144 8.126 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.940 7.451 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.393 9.203 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.492 10.018 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.957 7.958 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.888 7.244 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.500 9.558 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.631 7.280 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.027 7.670 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.304 9.986 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.844 9.183 -0.983 1.00 0.00 H new ATOM 165 N GLU A 11 0.983 10.851 -4.654 1.00 0.00 N ATOM 166 CA GLU A 11 2.008 11.301 -3.707 1.00 0.00 C ATOM 167 C GLU A 11 1.429 11.208 -2.291 1.00 0.00 C ATOM 168 O GLU A 11 0.567 12.004 -1.904 1.00 0.00 O ATOM 169 CB GLU A 11 2.492 12.745 -4.061 1.00 0.00 C ATOM 170 CG GLU A 11 3.788 13.226 -3.327 1.00 0.00 C ATOM 171 CD GLU A 11 3.584 13.743 -1.884 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.092 14.879 -1.714 1.00 0.00 O ATOM 173 OE2 GLU A 11 3.915 13.026 -0.917 1.00 0.00 O ATOM 0 H GLU A 11 0.396 11.606 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 11 2.889 10.662 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.665 12.797 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.687 13.444 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.498 12.399 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.245 14.020 -3.917 1.00 0.00 H new ATOM 180 N VAL A 12 1.867 10.186 -1.551 1.00 0.00 N ATOM 181 CA VAL A 12 1.482 9.970 -0.142 1.00 0.00 C ATOM 182 C VAL A 12 2.659 10.318 0.782 1.00 0.00 C ATOM 183 O VAL A 12 3.809 10.377 0.349 1.00 0.00 O ATOM 184 CB VAL A 12 0.997 8.492 0.122 1.00 0.00 C ATOM 185 CG1 VAL A 12 -0.262 8.170 -0.712 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.123 7.461 -0.143 1.00 0.00 C ATOM 0 H VAL A 12 2.505 9.476 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 12 0.641 10.629 0.075 1.00 0.00 H new ATOM 0 HB VAL A 12 0.734 8.416 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.578 7.146 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.064 8.856 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.034 8.280 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.749 6.456 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.447 7.534 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.967 7.667 0.515 1.00 0.00 H new ATOM 196 N GLN A 13 2.358 10.560 2.062 1.00 0.00 N ATOM 197 CA GLN A 13 3.373 10.926 3.084 1.00 0.00 C ATOM 198 C GLN A 13 3.660 9.741 4.027 1.00 0.00 C ATOM 199 O GLN A 13 4.511 9.840 4.924 1.00 0.00 O ATOM 200 CB GLN A 13 2.886 12.169 3.878 1.00 0.00 C ATOM 201 CG GLN A 13 2.566 13.390 2.996 1.00 0.00 C ATOM 202 CD GLN A 13 2.190 14.643 3.786 1.00 0.00 C ATOM 203 OE1 GLN A 13 3.047 15.452 4.139 1.00 0.00 O ATOM 204 NE2 GLN A 13 0.913 14.808 4.072 1.00 0.00 N ATOM 0 H GLN A 13 1.408 10.511 2.429 1.00 0.00 H new ATOM 0 HA GLN A 13 4.308 11.174 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.995 11.899 4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.652 12.448 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.432 13.612 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.746 13.136 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.228 14.118 3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.610 15.626 4.601 1.00 0.00 H new ATOM 213 N SER A 14 2.951 8.622 3.798 1.00 0.00 N ATOM 214 CA SER A 14 3.074 7.400 4.598 1.00 0.00 C ATOM 215 C SER A 14 4.351 6.623 4.216 1.00 0.00 C ATOM 216 O SER A 14 4.508 6.197 3.070 1.00 0.00 O ATOM 217 CB SER A 14 1.813 6.529 4.387 1.00 0.00 C ATOM 218 OG SER A 14 1.556 6.317 3.010 1.00 0.00 O ATOM 0 H SER A 14 2.270 8.544 3.043 1.00 0.00 H new ATOM 0 HA SER A 14 3.155 7.664 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.944 5.569 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.953 7.013 4.849 1.00 0.00 H new ATOM 0 HG SER A 14 2.401 6.157 2.540 1.00 0.00 H new ATOM 224 N ALA A 15 5.260 6.484 5.187 1.00 0.00 N ATOM 225 CA ALA A 15 6.489 5.667 5.059 1.00 0.00 C ATOM 226 C ALA A 15 6.267 4.225 5.544 1.00 0.00 C ATOM 227 O ALA A 15 7.195 3.424 5.532 1.00 0.00 O ATOM 228 CB ALA A 15 7.637 6.331 5.830 1.00 0.00 C ATOM 0 H ALA A 15 5.170 6.937 6.096 1.00 0.00 H new ATOM 0 HA ALA A 15 6.753 5.613 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.538 5.726 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.821 7.325 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.368 6.414 6.883 1.00 0.00 H new ATOM 234 N SER A 16 5.031 3.916 5.962 1.00 0.00 N ATOM 235 CA SER A 16 4.608 2.565 6.391 1.00 0.00 C ATOM 236 C SER A 16 3.381 2.135 5.591 1.00 0.00 C ATOM 237 O SER A 16 2.521 2.965 5.293 1.00 0.00 O ATOM 238 CB SER A 16 4.264 2.569 7.897 1.00 0.00 C ATOM 239 OG SER A 16 3.839 1.288 8.347 1.00 0.00 O ATOM 0 H SER A 16 4.281 4.606 6.014 1.00 0.00 H new ATOM 0 HA SER A 16 5.425 1.865 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.138 2.883 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.478 3.300 8.088 1.00 0.00 H new ATOM 0 HG SER A 16 3.632 1.330 9.304 1.00 0.00 H new ATOM 245 N VAL A 17 3.312 0.835 5.248 1.00 0.00 N ATOM 246 CA VAL A 17 2.167 0.249 4.522 1.00 0.00 C ATOM 247 C VAL A 17 0.931 0.162 5.446 1.00 0.00 C ATOM 248 O VAL A 17 -0.206 0.229 4.969 1.00 0.00 O ATOM 249 CB VAL A 17 2.543 -1.153 3.891 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.324 -1.895 3.303 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.628 -0.983 2.805 1.00 0.00 C ATOM 0 H VAL A 17 4.047 0.162 5.465 1.00 0.00 H new ATOM 0 HA VAL A 17 1.910 0.905 3.691 1.00 0.00 H new ATOM 0 HB VAL A 17 2.929 -1.765 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.646 -2.849 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.591 -2.072 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.873 -1.289 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.875 -1.957 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.255 -0.329 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.521 -0.543 3.249 1.00 0.00 H new ATOM 261 N ALA A 18 1.160 0.034 6.770 1.00 0.00 N ATOM 262 CA ALA A 18 0.087 0.110 7.775 1.00 0.00 C ATOM 263 C ALA A 18 -0.565 1.489 7.750 1.00 0.00 C ATOM 264 O ALA A 18 -1.775 1.597 7.557 1.00 0.00 O ATOM 265 CB ALA A 18 0.633 -0.215 9.167 1.00 0.00 C ATOM 0 H ALA A 18 2.087 -0.123 7.166 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.675 -0.630 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.174 -0.154 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.049 -1.223 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.413 0.500 9.428 1.00 0.00 H new ATOM 271 N ALA A 19 0.271 2.538 7.892 1.00 0.00 N ATOM 272 CA ALA A 19 -0.178 3.939 7.878 1.00 0.00 C ATOM 273 C ALA A 19 -0.679 4.361 6.487 1.00 0.00 C ATOM 274 O ALA A 19 -1.449 5.311 6.376 1.00 0.00 O ATOM 275 CB ALA A 19 0.950 4.856 8.356 1.00 0.00 C ATOM 0 H ALA A 19 1.278 2.434 8.020 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.021 4.031 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.608 5.891 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.236 4.582 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.810 4.749 7.695 1.00 0.00 H new ATOM 281 N LEU A 20 -0.211 3.656 5.434 1.00 0.00 N ATOM 282 CA LEU A 20 -0.708 3.825 4.058 1.00 0.00 C ATOM 283 C LEU A 20 -2.190 3.460 4.019 1.00 0.00 C ATOM 284 O LEU A 20 -3.032 4.294 3.703 1.00 0.00 O ATOM 285 CB LEU A 20 0.100 2.927 3.080 1.00 0.00 C ATOM 286 CG LEU A 20 -0.327 2.931 1.574 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.062 4.293 0.911 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.366 1.791 0.796 1.00 0.00 C ATOM 0 H LEU A 20 0.523 2.953 5.518 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.582 4.862 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.146 3.228 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.045 1.901 3.442 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.402 2.757 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.371 4.256 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.628 5.067 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.002 4.524 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.051 1.818 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.447 1.917 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.090 0.832 1.234 1.00 0.00 H new ATOM 300 N MET A 21 -2.480 2.205 4.408 1.00 0.00 N ATOM 301 CA MET A 21 -3.837 1.656 4.430 1.00 0.00 C ATOM 302 C MET A 21 -4.731 2.420 5.436 1.00 0.00 C ATOM 303 O MET A 21 -5.915 2.564 5.202 1.00 0.00 O ATOM 304 CB MET A 21 -3.777 0.142 4.763 1.00 0.00 C ATOM 305 CG MET A 21 -3.010 -0.698 3.725 1.00 0.00 C ATOM 306 SD MET A 21 -3.843 -0.753 2.122 1.00 0.00 S ATOM 307 CE MET A 21 -5.202 -1.876 2.463 1.00 0.00 C ATOM 0 H MET A 21 -1.769 1.542 4.717 1.00 0.00 H new ATOM 0 HA MET A 21 -4.287 1.780 3.445 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.307 0.013 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.794 -0.242 4.846 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.010 -0.285 3.596 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.889 -1.713 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.034 -1.654 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.873 -2.903 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.525 -1.753 3.497 1.00 0.00 H new ATOM 317 N THR A 22 -4.133 2.913 6.545 1.00 0.00 N ATOM 318 CA THR A 22 -4.859 3.692 7.577 1.00 0.00 C ATOM 319 C THR A 22 -5.321 5.034 6.995 1.00 0.00 C ATOM 320 O THR A 22 -6.482 5.427 7.159 1.00 0.00 O ATOM 321 CB THR A 22 -3.980 3.948 8.857 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.538 2.698 9.398 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.739 4.728 9.956 1.00 0.00 C ATOM 0 H THR A 22 -3.142 2.784 6.750 1.00 0.00 H new ATOM 0 HA THR A 22 -5.723 3.100 7.880 1.00 0.00 H new ATOM 0 HB THR A 22 -3.132 4.556 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.912 2.275 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.085 4.876 10.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.050 5.697 9.566 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.618 4.161 10.263 1.00 0.00 H new ATOM 331 N GLU A 23 -4.404 5.691 6.266 1.00 0.00 N ATOM 332 CA GLU A 23 -4.619 7.024 5.683 1.00 0.00 C ATOM 333 C GLU A 23 -5.643 6.948 4.531 1.00 0.00 C ATOM 334 O GLU A 23 -6.385 7.903 4.275 1.00 0.00 O ATOM 335 CB GLU A 23 -3.260 7.583 5.175 1.00 0.00 C ATOM 336 CG GLU A 23 -3.241 9.099 4.910 1.00 0.00 C ATOM 337 CD GLU A 23 -3.372 9.935 6.196 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.452 9.881 7.045 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.377 10.651 6.373 1.00 0.00 O ATOM 0 H GLU A 23 -3.482 5.306 6.063 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.020 7.694 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.490 7.348 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.992 7.065 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.312 9.363 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.056 9.354 4.232 1.00 0.00 H new ATOM 346 N LEU A 24 -5.658 5.791 3.840 1.00 0.00 N ATOM 347 CA LEU A 24 -6.592 5.509 2.735 1.00 0.00 C ATOM 348 C LEU A 24 -7.876 4.808 3.253 1.00 0.00 C ATOM 349 O LEU A 24 -8.778 4.503 2.461 1.00 0.00 O ATOM 350 CB LEU A 24 -5.871 4.659 1.649 1.00 0.00 C ATOM 351 CG LEU A 24 -4.521 5.244 1.107 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.886 4.326 0.051 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.676 6.676 0.576 1.00 0.00 C ATOM 0 H LEU A 24 -5.018 5.022 4.035 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.907 6.451 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.676 3.669 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.551 4.527 0.808 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.842 5.291 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.953 4.766 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.684 3.350 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.571 4.210 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.713 7.035 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.399 6.685 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.026 7.326 1.378 1.00 0.00 H new ATOM 365 N ASP A 25 -7.926 4.562 4.588 1.00 0.00 N ATOM 366 CA ASP A 25 -9.124 4.067 5.324 1.00 0.00 C ATOM 367 C ASP A 25 -9.562 2.655 4.880 1.00 0.00 C ATOM 368 O ASP A 25 -10.752 2.343 4.846 1.00 0.00 O ATOM 369 CB ASP A 25 -10.297 5.087 5.219 1.00 0.00 C ATOM 370 CG ASP A 25 -9.987 6.449 5.871 1.00 0.00 C ATOM 371 OD1 ASP A 25 -9.380 7.324 5.210 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.349 6.654 7.048 1.00 0.00 O ATOM 0 H ASP A 25 -7.120 4.704 5.197 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.836 3.978 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.539 5.243 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.182 4.660 5.690 1.00 0.00 H new ATOM 377 N CYS A 26 -8.570 1.795 4.621 1.00 0.00 N ATOM 378 CA CYS A 26 -8.751 0.384 4.220 1.00 0.00 C ATOM 379 C CYS A 26 -8.108 -0.573 5.261 1.00 0.00 C ATOM 380 O CYS A 26 -7.729 -1.703 4.939 1.00 0.00 O ATOM 381 CB CYS A 26 -8.125 0.182 2.825 1.00 0.00 C ATOM 382 SG CYS A 26 -8.786 1.285 1.573 1.00 0.00 S ATOM 0 H CYS A 26 -7.588 2.064 4.685 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.815 0.150 4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.047 0.330 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.285 -0.849 2.510 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.744 2.509 2.008 1.00 0.00 H new ATOM 388 N THR A 27 -8.027 -0.117 6.524 1.00 0.00 N ATOM 389 CA THR A 27 -7.531 -0.931 7.663 1.00 0.00 C ATOM 390 C THR A 27 -8.705 -1.566 8.437 1.00 0.00 C ATOM 391 O THR A 27 -8.543 -1.969 9.600 1.00 0.00 O ATOM 392 CB THR A 27 -6.636 -0.068 8.636 1.00 0.00 C ATOM 393 OG1 THR A 27 -7.203 1.249 8.795 1.00 0.00 O ATOM 394 CG2 THR A 27 -5.188 0.048 8.144 1.00 0.00 C ATOM 0 H THR A 27 -8.303 0.828 6.791 1.00 0.00 H new ATOM 0 HA THR A 27 -6.914 -1.730 7.252 1.00 0.00 H new ATOM 0 HB THR A 27 -6.618 -0.582 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.642 1.776 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.612 0.651 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.747 -0.946 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.174 0.522 7.163 1.00 0.00 H new ATOM 402 N ASP A 28 -9.876 -1.668 7.778 1.00 0.00 N ATOM 403 CA ASP A 28 -11.093 -2.272 8.365 1.00 0.00 C ATOM 404 C ASP A 28 -10.853 -3.754 8.726 1.00 0.00 C ATOM 405 O ASP A 28 -11.369 -4.248 9.733 1.00 0.00 O ATOM 406 CB ASP A 28 -12.276 -2.175 7.365 1.00 0.00 C ATOM 407 CG ASP A 28 -12.599 -0.741 6.919 1.00 0.00 C ATOM 408 OD1 ASP A 28 -11.806 -0.161 6.145 1.00 0.00 O ATOM 409 OD2 ASP A 28 -13.635 -0.181 7.335 1.00 0.00 O ATOM 0 H ASP A 28 -10.007 -1.334 6.823 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.336 -1.721 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.045 -2.775 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.163 -2.611 7.824 1.00 0.00 H new ATOM 414 N GLY A 29 -10.068 -4.448 7.878 1.00 0.00 N ATOM 415 CA GLY A 29 -9.694 -5.846 8.111 1.00 0.00 C ATOM 416 C GLY A 29 -9.774 -6.678 6.846 1.00 0.00 C ATOM 417 O GLY A 29 -8.782 -7.269 6.415 1.00 0.00 O ATOM 0 H GLY A 29 -9.681 -4.054 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.680 -5.888 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.351 -6.275 8.868 1.00 0.00 H new ATOM 421 N HIS A 30 -10.960 -6.675 6.216 1.00 0.00 N ATOM 422 CA HIS A 30 -11.245 -7.478 5.000 1.00 0.00 C ATOM 423 C HIS A 30 -10.663 -6.837 3.717 1.00 0.00 C ATOM 424 O HIS A 30 -11.028 -7.230 2.609 1.00 0.00 O ATOM 425 CB HIS A 30 -12.776 -7.702 4.840 1.00 0.00 C ATOM 426 CG HIS A 30 -13.402 -8.546 5.921 1.00 0.00 C ATOM 427 ND1 HIS A 30 -14.350 -8.075 6.803 1.00 0.00 N ATOM 428 CD2 HIS A 30 -13.216 -9.849 6.242 1.00 0.00 C ATOM 429 CE1 HIS A 30 -14.711 -9.048 7.615 1.00 0.00 C ATOM 430 NE2 HIS A 30 -14.040 -10.135 7.296 1.00 0.00 N ATOM 0 H HIS A 30 -11.754 -6.117 6.530 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.751 -8.440 5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.272 -6.732 4.822 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.962 -8.174 3.875 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.540 -10.537 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.437 -8.967 8.410 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.121 -11.041 7.758 1.00 0.00 H new ATOM 439 N TYR A 31 -9.759 -5.848 3.873 1.00 0.00 N ATOM 440 CA TYR A 31 -9.026 -5.228 2.751 1.00 0.00 C ATOM 441 C TYR A 31 -7.568 -5.671 2.779 1.00 0.00 C ATOM 442 O TYR A 31 -7.002 -5.934 3.841 1.00 0.00 O ATOM 443 CB TYR A 31 -9.104 -3.686 2.834 1.00 0.00 C ATOM 444 CG TYR A 31 -10.531 -3.144 2.698 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.355 -2.993 3.815 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.051 -2.798 1.453 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.643 -2.523 3.686 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.341 -2.330 1.323 1.00 0.00 C ATOM 449 CZ TYR A 31 -13.128 -2.191 2.445 1.00 0.00 C ATOM 450 OH TYR A 31 -14.413 -1.721 2.324 1.00 0.00 O ATOM 0 H TYR A 31 -9.517 -5.456 4.783 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.486 -5.550 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.687 -3.359 3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.482 -3.255 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.977 -3.248 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.432 -2.898 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.270 -2.416 4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.732 -2.074 0.349 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.604 -1.530 1.382 1.00 0.00 H new ATOM 460 N ALA A 32 -6.968 -5.725 1.598 1.00 0.00 N ATOM 461 CA ALA A 32 -5.583 -6.127 1.401 1.00 0.00 C ATOM 462 C ALA A 32 -4.861 -5.052 0.600 1.00 0.00 C ATOM 463 O ALA A 32 -5.487 -4.160 0.023 1.00 0.00 O ATOM 464 CB ALA A 32 -5.529 -7.468 0.667 1.00 0.00 C ATOM 0 H ALA A 32 -7.444 -5.484 0.728 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.092 -6.244 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.489 -7.762 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.043 -8.227 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.016 -7.372 -0.303 1.00 0.00 H new ATOM 470 N VAL A 33 -3.546 -5.163 0.575 1.00 0.00 N ATOM 471 CA VAL A 33 -2.665 -4.264 -0.171 1.00 0.00 C ATOM 472 C VAL A 33 -1.662 -5.126 -0.941 1.00 0.00 C ATOM 473 O VAL A 33 -1.316 -6.217 -0.495 1.00 0.00 O ATOM 474 CB VAL A 33 -1.937 -3.284 0.816 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.086 -4.050 1.843 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.108 -2.207 0.081 1.00 0.00 C ATOM 0 H VAL A 33 -3.044 -5.893 1.081 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.235 -3.654 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.718 -2.754 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.596 -3.341 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.727 -4.713 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.331 -4.640 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.626 -1.557 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.347 -2.689 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.765 -1.614 -0.555 1.00 0.00 H new ATOM 486 N ALA A 34 -1.230 -4.660 -2.106 1.00 0.00 N ATOM 487 CA ALA A 34 -0.286 -5.400 -2.955 1.00 0.00 C ATOM 488 C ALA A 34 0.885 -4.502 -3.334 1.00 0.00 C ATOM 489 O ALA A 34 0.742 -3.580 -4.131 1.00 0.00 O ATOM 490 CB ALA A 34 -0.992 -5.963 -4.200 1.00 0.00 C ATOM 0 H ALA A 34 -1.519 -3.762 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 34 0.103 -6.249 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.272 -6.506 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.789 -6.639 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.416 -5.143 -4.780 1.00 0.00 H new ATOM 496 N LEU A 35 2.053 -4.807 -2.760 1.00 0.00 N ATOM 497 CA LEU A 35 3.296 -4.098 -3.055 1.00 0.00 C ATOM 498 C LEU A 35 3.940 -4.796 -4.256 1.00 0.00 C ATOM 499 O LEU A 35 4.369 -5.951 -4.144 1.00 0.00 O ATOM 500 CB LEU A 35 4.241 -4.131 -1.820 1.00 0.00 C ATOM 501 CG LEU A 35 5.700 -3.577 -2.029 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.709 -2.078 -2.380 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.582 -3.876 -0.802 1.00 0.00 C ATOM 0 H LEU A 35 2.160 -5.556 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 35 3.103 -3.050 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.772 -3.561 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.315 -5.163 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 35 6.125 -4.100 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.737 -1.742 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.151 -1.917 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.245 -1.512 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.585 -3.484 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.151 -3.403 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.635 -4.953 -0.646 1.00 0.00 H new ATOM 515 N ASN A 36 3.917 -4.091 -5.409 1.00 0.00 N ATOM 516 CA ASN A 36 4.489 -4.573 -6.689 1.00 0.00 C ATOM 517 C ASN A 36 3.795 -5.872 -7.138 1.00 0.00 C ATOM 518 O ASN A 36 4.452 -6.890 -7.391 1.00 0.00 O ATOM 519 CB ASN A 36 6.042 -4.716 -6.573 1.00 0.00 C ATOM 520 CG ASN A 36 6.733 -3.391 -6.208 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.319 -2.317 -6.645 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.781 -3.453 -5.402 1.00 0.00 N ATOM 0 H ASN A 36 3.498 -3.164 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 36 4.300 -3.836 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.279 -5.465 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.441 -5.081 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.266 -2.598 -5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.104 -4.356 -5.054 1.00 0.00 H new ATOM 529 N TYR A 37 2.434 -5.820 -7.164 1.00 0.00 N ATOM 530 CA TYR A 37 1.536 -6.909 -7.654 1.00 0.00 C ATOM 531 C TYR A 37 1.468 -8.136 -6.704 1.00 0.00 C ATOM 532 O TYR A 37 0.836 -9.142 -7.048 1.00 0.00 O ATOM 533 CB TYR A 37 1.905 -7.358 -9.107 1.00 0.00 C ATOM 534 CG TYR A 37 1.599 -6.318 -10.206 1.00 0.00 C ATOM 535 CD1 TYR A 37 2.479 -5.273 -10.495 1.00 0.00 C ATOM 536 CD2 TYR A 37 0.411 -6.381 -10.934 1.00 0.00 C ATOM 537 CE1 TYR A 37 2.185 -4.348 -11.473 1.00 0.00 C ATOM 538 CE2 TYR A 37 0.118 -5.453 -11.910 1.00 0.00 C ATOM 539 CZ TYR A 37 1.002 -4.437 -12.171 1.00 0.00 C ATOM 540 OH TYR A 37 0.707 -3.507 -13.144 1.00 0.00 O ATOM 0 H TYR A 37 1.918 -5.003 -6.838 1.00 0.00 H new ATOM 0 HA TYR A 37 0.538 -6.471 -7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.968 -7.597 -9.139 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.365 -8.277 -9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.404 -5.189 -9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.294 -7.173 -10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.883 -3.553 -11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.804 -5.525 -12.467 1.00 0.00 H new ATOM 0 HH TYR A 37 1.141 -2.656 -12.925 1.00 0.00 H new ATOM 550 N ASP A 38 2.086 -8.044 -5.511 1.00 0.00 N ATOM 551 CA ASP A 38 2.111 -9.150 -4.524 1.00 0.00 C ATOM 552 C ASP A 38 1.558 -8.665 -3.184 1.00 0.00 C ATOM 553 O ASP A 38 2.033 -7.659 -2.640 1.00 0.00 O ATOM 554 CB ASP A 38 3.548 -9.692 -4.345 1.00 0.00 C ATOM 555 CG ASP A 38 3.676 -10.740 -3.216 1.00 0.00 C ATOM 556 OD1 ASP A 38 3.031 -11.804 -3.301 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.403 -10.493 -2.228 1.00 0.00 O ATOM 0 H ASP A 38 2.581 -7.207 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 38 1.484 -9.961 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.879 -10.138 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.218 -8.859 -4.134 1.00 0.00 H new ATOM 562 N VAL A 39 0.570 -9.411 -2.661 1.00 0.00 N ATOM 563 CA VAL A 39 -0.154 -9.060 -1.435 1.00 0.00 C ATOM 564 C VAL A 39 0.774 -9.070 -0.202 1.00 0.00 C ATOM 565 O VAL A 39 1.599 -9.971 -0.034 1.00 0.00 O ATOM 566 CB VAL A 39 -1.388 -10.012 -1.175 1.00 0.00 C ATOM 567 CG1 VAL A 39 -0.948 -11.486 -0.972 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.259 -9.514 0.011 1.00 0.00 C ATOM 0 H VAL A 39 0.251 -10.282 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.529 -8.048 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.007 -9.979 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.826 -12.107 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.428 -11.837 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.280 -11.551 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.097 -10.195 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.655 -9.481 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.637 -8.516 -0.209 1.00 0.00 H new ATOM 578 N VAL A 40 0.643 -8.034 0.625 1.00 0.00 N ATOM 579 CA VAL A 40 1.302 -7.944 1.926 1.00 0.00 C ATOM 580 C VAL A 40 0.295 -8.422 2.997 1.00 0.00 C ATOM 581 O VAL A 40 -0.820 -7.886 3.045 1.00 0.00 O ATOM 582 CB VAL A 40 1.770 -6.472 2.227 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.570 -6.384 3.552 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.587 -5.895 1.044 1.00 0.00 C ATOM 0 H VAL A 40 0.067 -7.221 0.406 1.00 0.00 H new ATOM 0 HA VAL A 40 2.194 -8.570 1.933 1.00 0.00 H new ATOM 0 HB VAL A 40 0.874 -5.864 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.876 -5.352 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.944 -6.720 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.454 -7.018 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.898 -4.877 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.468 -6.513 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.970 -5.888 0.145 1.00 0.00 H new ATOM 594 N PRO A 41 0.626 -9.472 3.821 1.00 0.00 N ATOM 595 CA PRO A 41 -0.246 -9.908 4.948 1.00 0.00 C ATOM 596 C PRO A 41 -0.476 -8.784 5.994 1.00 0.00 C ATOM 597 O PRO A 41 0.364 -7.901 6.154 1.00 0.00 O ATOM 598 CB PRO A 41 0.497 -11.133 5.556 1.00 0.00 C ATOM 599 CG PRO A 41 1.893 -11.094 4.991 1.00 0.00 C ATOM 600 CD PRO A 41 1.820 -10.346 3.673 1.00 0.00 C ATOM 0 HA PRO A 41 -1.251 -10.160 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.515 -11.078 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.005 -12.064 5.292 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.574 -10.594 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.276 -12.103 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.723 -9.762 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.712 -11.030 2.831 1.00 0.00 H new ATOM 608 N ARG A 42 -1.632 -8.851 6.692 1.00 0.00 N ATOM 609 CA ARG A 42 -2.136 -7.777 7.589 1.00 0.00 C ATOM 610 C ARG A 42 -1.111 -7.355 8.661 1.00 0.00 C ATOM 611 O ARG A 42 -0.791 -6.168 8.792 1.00 0.00 O ATOM 612 CB ARG A 42 -3.461 -8.218 8.267 1.00 0.00 C ATOM 613 CG ARG A 42 -4.605 -8.511 7.275 1.00 0.00 C ATOM 614 CD ARG A 42 -5.868 -9.034 7.973 1.00 0.00 C ATOM 615 NE ARG A 42 -6.952 -9.271 7.007 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.718 -10.370 6.935 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.557 -11.387 7.777 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.652 -10.441 6.014 1.00 0.00 N ATOM 0 H ARG A 42 -2.251 -9.660 6.650 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.315 -6.905 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.273 -9.111 8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.782 -7.437 8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.847 -7.601 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.268 -9.245 6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.638 -9.960 8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.197 -8.314 8.723 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.138 -8.532 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.838 -11.342 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.153 -12.211 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.788 -9.666 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.241 -11.271 5.948 1.00 0.00 H new ATOM 632 N GLY A 43 -0.588 -8.339 9.406 1.00 0.00 N ATOM 633 CA GLY A 43 0.379 -8.078 10.479 1.00 0.00 C ATOM 634 C GLY A 43 1.748 -7.615 9.962 1.00 0.00 C ATOM 635 O GLY A 43 2.600 -7.173 10.740 1.00 0.00 O ATOM 0 H GLY A 43 -0.820 -9.325 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.026 -7.317 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.509 -8.985 11.070 1.00 0.00 H new ATOM 639 N LYS A 44 1.946 -7.699 8.639 1.00 0.00 N ATOM 640 CA LYS A 44 3.206 -7.358 7.970 1.00 0.00 C ATOM 641 C LYS A 44 3.144 -5.911 7.428 1.00 0.00 C ATOM 642 O LYS A 44 4.174 -5.352 7.093 1.00 0.00 O ATOM 643 CB LYS A 44 3.437 -8.372 6.819 1.00 0.00 C ATOM 644 CG LYS A 44 4.781 -8.262 6.072 1.00 0.00 C ATOM 645 CD LYS A 44 5.995 -8.657 6.943 1.00 0.00 C ATOM 646 CE LYS A 44 7.328 -8.446 6.215 1.00 0.00 C ATOM 647 NZ LYS A 44 8.480 -8.898 7.032 1.00 0.00 N ATOM 0 H LYS A 44 1.221 -8.012 7.994 1.00 0.00 H new ATOM 0 HA LYS A 44 4.036 -7.413 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.354 -9.379 7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.632 -8.256 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.752 -8.901 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.912 -7.238 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.988 -8.069 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.905 -9.703 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.316 -8.990 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.446 -7.390 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.363 -8.739 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.506 -8.361 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.380 -9.912 7.242 1.00 0.00 H new ATOM 661 N TRP A 45 1.917 -5.323 7.346 1.00 0.00 N ATOM 662 CA TRP A 45 1.712 -3.925 6.867 1.00 0.00 C ATOM 663 C TRP A 45 2.605 -2.931 7.645 1.00 0.00 C ATOM 664 O TRP A 45 3.223 -2.038 7.061 1.00 0.00 O ATOM 665 CB TRP A 45 0.221 -3.482 6.997 1.00 0.00 C ATOM 666 CG TRP A 45 -0.770 -4.217 6.124 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.507 -5.186 5.199 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.193 -4.015 6.087 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.670 -5.618 4.624 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.715 -4.905 5.135 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.075 -3.167 6.764 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.070 -4.989 4.848 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.428 -3.245 6.474 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.914 -4.149 5.524 1.00 0.00 C ATOM 0 H TRP A 45 1.053 -5.798 7.606 1.00 0.00 H new ATOM 0 HA TRP A 45 1.991 -3.913 5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.083 -3.602 8.037 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.158 -2.418 6.767 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.478 -5.558 4.956 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.744 -6.356 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.709 -2.465 7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.445 -5.691 4.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.119 -2.596 6.991 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.974 -4.185 5.320 1.00 0.00 H new ATOM 685 N ASP A 46 2.641 -3.111 8.974 1.00 0.00 N ATOM 686 CA ASP A 46 3.461 -2.292 9.886 1.00 0.00 C ATOM 687 C ASP A 46 4.960 -2.563 9.673 1.00 0.00 C ATOM 688 O ASP A 46 5.780 -1.640 9.739 1.00 0.00 O ATOM 689 CB ASP A 46 3.051 -2.575 11.357 1.00 0.00 C ATOM 690 CG ASP A 46 3.876 -1.787 12.399 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.599 -0.590 12.602 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.804 -2.366 13.006 1.00 0.00 O ATOM 0 H ASP A 46 2.100 -3.832 9.451 1.00 0.00 H new ATOM 0 HA ASP A 46 3.283 -1.239 9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.996 -2.331 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.157 -3.642 11.555 1.00 0.00 H new ATOM 697 N GLU A 47 5.288 -3.836 9.425 1.00 0.00 N ATOM 698 CA GLU A 47 6.673 -4.301 9.215 1.00 0.00 C ATOM 699 C GLU A 47 7.209 -3.916 7.821 1.00 0.00 C ATOM 700 O GLU A 47 8.426 -3.851 7.617 1.00 0.00 O ATOM 701 CB GLU A 47 6.729 -5.835 9.398 1.00 0.00 C ATOM 702 CG GLU A 47 6.108 -6.332 10.713 1.00 0.00 C ATOM 703 CD GLU A 47 6.217 -7.851 10.879 1.00 0.00 C ATOM 704 OE1 GLU A 47 5.374 -8.576 10.329 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.159 -8.323 11.542 1.00 0.00 O ATOM 0 H GLU A 47 4.596 -4.583 9.363 1.00 0.00 H new ATOM 0 HA GLU A 47 7.309 -3.811 9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.213 -6.309 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.769 -6.158 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.602 -5.842 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.058 -6.041 10.748 1.00 0.00 H new ATOM 712 N THR A 48 6.295 -3.650 6.875 1.00 0.00 N ATOM 713 CA THR A 48 6.649 -3.296 5.493 1.00 0.00 C ATOM 714 C THR A 48 6.541 -1.771 5.341 1.00 0.00 C ATOM 715 O THR A 48 5.465 -1.218 5.582 1.00 0.00 O ATOM 716 CB THR A 48 5.703 -4.003 4.464 1.00 0.00 C ATOM 717 OG1 THR A 48 5.742 -5.426 4.684 1.00 0.00 O ATOM 718 CG2 THR A 48 6.094 -3.700 2.994 1.00 0.00 C ATOM 0 H THR A 48 5.290 -3.674 7.047 1.00 0.00 H new ATOM 0 HA THR A 48 7.666 -3.630 5.288 1.00 0.00 H new ATOM 0 HB THR A 48 4.697 -3.614 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.281 -5.883 3.950 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.407 -4.214 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.040 -2.626 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.111 -4.047 2.809 1.00 0.00 H new ATOM 726 N PRO A 49 7.653 -1.049 5.026 1.00 0.00 N ATOM 727 CA PRO A 49 7.586 0.389 4.688 1.00 0.00 C ATOM 728 C PRO A 49 7.068 0.639 3.250 1.00 0.00 C ATOM 729 O PRO A 49 6.971 -0.292 2.443 1.00 0.00 O ATOM 730 CB PRO A 49 9.058 0.847 4.856 1.00 0.00 C ATOM 731 CG PRO A 49 9.870 -0.366 4.517 1.00 0.00 C ATOM 732 CD PRO A 49 9.063 -1.551 5.024 1.00 0.00 C ATOM 0 HA PRO A 49 6.884 0.937 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.293 1.680 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.255 1.185 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.039 -0.437 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.850 -0.327 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.177 -2.420 4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.381 -1.854 6.022 1.00 0.00 H new ATOM 740 N VAL A 50 6.701 1.895 2.959 1.00 0.00 N ATOM 741 CA VAL A 50 6.434 2.365 1.587 1.00 0.00 C ATOM 742 C VAL A 50 7.691 3.113 1.105 1.00 0.00 C ATOM 743 O VAL A 50 8.338 3.804 1.907 1.00 0.00 O ATOM 744 CB VAL A 50 5.177 3.319 1.524 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.875 3.785 0.078 1.00 0.00 C ATOM 746 CG2 VAL A 50 3.933 2.654 2.134 1.00 0.00 C ATOM 0 H VAL A 50 6.580 2.618 3.669 1.00 0.00 H new ATOM 0 HA VAL A 50 6.211 1.511 0.947 1.00 0.00 H new ATOM 0 HB VAL A 50 5.426 4.199 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.003 4.439 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.734 4.328 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.675 2.917 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.088 3.339 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.701 1.742 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.127 2.408 3.178 1.00 0.00 H new ATOM 756 N THR A 51 8.057 2.944 -0.174 1.00 0.00 N ATOM 757 CA THR A 51 9.192 3.649 -0.795 1.00 0.00 C ATOM 758 C THR A 51 8.757 4.182 -2.167 1.00 0.00 C ATOM 759 O THR A 51 8.034 3.503 -2.899 1.00 0.00 O ATOM 760 CB THR A 51 10.445 2.714 -0.931 1.00 0.00 C ATOM 761 OG1 THR A 51 10.798 2.183 0.358 1.00 0.00 O ATOM 762 CG2 THR A 51 11.669 3.440 -1.530 1.00 0.00 C ATOM 0 H THR A 51 7.573 2.312 -0.811 1.00 0.00 H new ATOM 0 HA THR A 51 9.484 4.481 -0.155 1.00 0.00 H new ATOM 0 HB THR A 51 10.169 1.912 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.580 1.599 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.506 2.745 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.421 3.812 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.946 4.277 -0.889 1.00 0.00 H new ATOM 770 N ALA A 52 9.194 5.409 -2.495 1.00 0.00 N ATOM 771 CA ALA A 52 8.839 6.093 -3.745 1.00 0.00 C ATOM 772 C ALA A 52 9.430 5.364 -4.961 1.00 0.00 C ATOM 773 O ALA A 52 10.536 4.825 -4.887 1.00 0.00 O ATOM 774 CB ALA A 52 9.320 7.544 -3.698 1.00 0.00 C ATOM 0 H ALA A 52 9.809 5.957 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 52 7.754 6.083 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.054 8.046 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.847 8.057 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.402 7.565 -3.572 1.00 0.00 H new ATOM 780 N GLY A 53 8.676 5.359 -6.071 1.00 0.00 N ATOM 781 CA GLY A 53 9.083 4.665 -7.292 1.00 0.00 C ATOM 782 C GLY A 53 8.519 3.259 -7.388 1.00 0.00 C ATOM 783 O GLY A 53 8.640 2.624 -8.442 1.00 0.00 O ATOM 0 H GLY A 53 7.776 5.833 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.757 5.242 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.171 4.618 -7.332 1.00 0.00 H new ATOM 787 N ASP A 54 7.932 2.748 -6.284 1.00 0.00 N ATOM 788 CA ASP A 54 7.246 1.436 -6.278 1.00 0.00 C ATOM 789 C ASP A 54 5.784 1.586 -6.701 1.00 0.00 C ATOM 790 O ASP A 54 5.217 2.685 -6.679 1.00 0.00 O ATOM 791 CB ASP A 54 7.338 0.750 -4.893 1.00 0.00 C ATOM 792 CG ASP A 54 8.774 0.334 -4.548 1.00 0.00 C ATOM 793 OD1 ASP A 54 9.230 -0.727 -5.022 1.00 0.00 O ATOM 794 OD2 ASP A 54 9.467 1.074 -3.820 1.00 0.00 O ATOM 0 H ASP A 54 7.919 3.225 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 54 7.756 0.799 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.964 1.429 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.694 -0.129 -4.881 1.00 0.00 H new ATOM 799 N GLU A 55 5.185 0.453 -7.080 1.00 0.00 N ATOM 800 CA GLU A 55 3.826 0.391 -7.627 1.00 0.00 C ATOM 801 C GLU A 55 2.948 -0.516 -6.744 1.00 0.00 C ATOM 802 O GLU A 55 3.000 -1.745 -6.834 1.00 0.00 O ATOM 803 CB GLU A 55 3.890 -0.099 -9.093 1.00 0.00 C ATOM 804 CG GLU A 55 2.554 -0.043 -9.846 1.00 0.00 C ATOM 805 CD GLU A 55 2.703 -0.215 -11.361 1.00 0.00 C ATOM 806 OE1 GLU A 55 3.235 0.695 -12.021 1.00 0.00 O ATOM 807 OE2 GLU A 55 2.282 -1.247 -11.904 1.00 0.00 O ATOM 0 H GLU A 55 5.636 -0.459 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 55 3.369 1.381 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.621 0.504 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.255 -1.126 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.896 -0.822 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.070 0.912 -9.642 1.00 0.00 H new ATOM 814 N ILE A 56 2.165 0.128 -5.879 1.00 0.00 N ATOM 815 CA ILE A 56 1.295 -0.528 -4.883 1.00 0.00 C ATOM 816 C ILE A 56 -0.166 -0.478 -5.376 1.00 0.00 C ATOM 817 O ILE A 56 -0.499 0.403 -6.131 1.00 0.00 O ATOM 818 CB ILE A 56 1.435 0.219 -3.502 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.933 0.269 -3.059 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.556 -0.433 -2.416 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.192 0.996 -1.748 1.00 0.00 C ATOM 0 H ILE A 56 2.111 1.146 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 56 1.590 -1.569 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 56 1.081 1.241 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.304 -0.752 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.513 0.752 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.677 0.107 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.489 -0.397 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.858 -1.471 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.259 0.977 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.857 2.030 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.645 0.503 -0.944 1.00 0.00 H new ATOM 833 N GLU A 57 -1.030 -1.419 -4.964 1.00 0.00 N ATOM 834 CA GLU A 57 -2.479 -1.384 -5.309 1.00 0.00 C ATOM 835 C GLU A 57 -3.295 -1.973 -4.149 1.00 0.00 C ATOM 836 O GLU A 57 -2.885 -2.962 -3.545 1.00 0.00 O ATOM 837 CB GLU A 57 -2.766 -2.154 -6.635 1.00 0.00 C ATOM 838 CG GLU A 57 -2.371 -3.640 -6.623 1.00 0.00 C ATOM 839 CD GLU A 57 -2.684 -4.380 -7.933 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.869 -4.708 -8.178 1.00 0.00 O ATOM 841 OE2 GLU A 57 -1.753 -4.633 -8.732 1.00 0.00 O ATOM 0 H GLU A 57 -0.760 -2.218 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.775 -0.347 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.830 -2.078 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.234 -1.659 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.303 -3.720 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.891 -4.137 -5.804 1.00 0.00 H new ATOM 848 N ILE A 58 -4.443 -1.359 -3.827 1.00 0.00 N ATOM 849 CA ILE A 58 -5.327 -1.870 -2.766 1.00 0.00 C ATOM 850 C ILE A 58 -6.248 -2.938 -3.356 1.00 0.00 C ATOM 851 O ILE A 58 -6.979 -2.686 -4.323 1.00 0.00 O ATOM 852 CB ILE A 58 -6.172 -0.735 -2.076 1.00 0.00 C ATOM 853 CG1 ILE A 58 -5.224 0.284 -1.370 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.212 -1.318 -1.076 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.927 1.414 -0.635 1.00 0.00 C ATOM 0 H ILE A 58 -4.781 -0.512 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.698 -2.301 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.733 -0.213 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.598 -0.257 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.558 0.716 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.775 -0.503 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.896 -1.980 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.694 -1.880 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.185 2.068 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.530 1.986 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.571 0.999 0.140 1.00 0.00 H new ATOM 867 N LEU A 59 -6.161 -4.137 -2.792 1.00 0.00 N ATOM 868 CA LEU A 59 -7.007 -5.266 -3.150 1.00 0.00 C ATOM 869 C LEU A 59 -8.245 -5.279 -2.253 1.00 0.00 C ATOM 870 O LEU A 59 -8.131 -5.234 -1.028 1.00 0.00 O ATOM 871 CB LEU A 59 -6.191 -6.577 -3.014 1.00 0.00 C ATOM 872 CG LEU A 59 -5.074 -6.758 -4.083 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.150 -7.938 -3.756 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.697 -6.908 -5.484 1.00 0.00 C ATOM 0 H LEU A 59 -5.486 -4.354 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.342 -5.178 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.736 -6.606 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.875 -7.423 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.453 -5.862 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.386 -8.027 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.672 -7.770 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.734 -8.857 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.905 -7.034 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.350 -7.780 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.277 -6.016 -5.722 1.00 0.00 H new ATOM 886 N THR A 60 -9.426 -5.304 -2.871 1.00 0.00 N ATOM 887 CA THR A 60 -10.705 -5.448 -2.187 1.00 0.00 C ATOM 888 C THR A 60 -11.240 -6.863 -2.516 1.00 0.00 C ATOM 889 O THR A 60 -11.934 -7.044 -3.527 1.00 0.00 O ATOM 890 CB THR A 60 -11.697 -4.310 -2.629 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.885 -4.319 -4.057 1.00 0.00 O ATOM 892 CG2 THR A 60 -11.192 -2.914 -2.211 1.00 0.00 C ATOM 0 H THR A 60 -9.519 -5.223 -3.884 1.00 0.00 H new ATOM 0 HA THR A 60 -10.594 -5.345 -1.108 1.00 0.00 H new ATOM 0 HB THR A 60 -12.643 -4.511 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.933 -5.245 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.906 -2.157 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.088 -2.874 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.225 -2.723 -2.675 1.00 0.00 H new ATOM 900 N PRO A 61 -10.850 -7.908 -1.710 1.00 0.00 N ATOM 901 CA PRO A 61 -11.103 -9.334 -2.049 1.00 0.00 C ATOM 902 C PRO A 61 -12.610 -9.658 -2.139 1.00 0.00 C ATOM 903 O PRO A 61 -13.351 -9.404 -1.187 1.00 0.00 O ATOM 904 CB PRO A 61 -10.397 -10.127 -0.904 1.00 0.00 C ATOM 905 CG PRO A 61 -9.462 -9.139 -0.263 1.00 0.00 C ATOM 906 CD PRO A 61 -10.141 -7.795 -0.405 1.00 0.00 C ATOM 0 HA PRO A 61 -10.717 -9.597 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.121 -10.509 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.854 -10.987 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.290 -9.384 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.489 -9.142 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.834 -7.605 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.420 -6.978 -0.408 1.00 0.00 H new ATOM 914 N ARG A 62 -13.037 -10.155 -3.335 1.00 0.00 N ATOM 915 CA ARG A 62 -14.446 -10.527 -3.663 1.00 0.00 C ATOM 916 C ARG A 62 -15.370 -9.291 -3.842 1.00 0.00 C ATOM 917 O ARG A 62 -16.551 -9.439 -4.169 1.00 0.00 O ATOM 918 CB ARG A 62 -15.052 -11.492 -2.599 1.00 0.00 C ATOM 919 CG ARG A 62 -14.279 -12.808 -2.370 1.00 0.00 C ATOM 920 CD ARG A 62 -14.268 -13.726 -3.594 1.00 0.00 C ATOM 921 NE ARG A 62 -15.626 -14.074 -4.057 1.00 0.00 N ATOM 922 CZ ARG A 62 -15.985 -15.260 -4.582 1.00 0.00 C ATOM 923 NH1 ARG A 62 -15.102 -16.250 -4.726 1.00 0.00 N ATOM 924 NH2 ARG A 62 -17.233 -15.442 -4.971 1.00 0.00 N ATOM 0 H ARG A 62 -12.398 -10.312 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.397 -11.045 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.117 -10.961 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.071 -11.738 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.252 -12.574 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.724 -13.341 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.726 -13.238 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.725 -14.640 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.349 -13.359 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.133 -16.116 -4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.396 -17.141 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.913 -14.688 -4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.517 -16.336 -5.370 1.00 0.00 H new ATOM 938 N GLN A 63 -14.820 -8.087 -3.623 1.00 0.00 N ATOM 939 CA GLN A 63 -15.577 -6.816 -3.637 1.00 0.00 C ATOM 940 C GLN A 63 -15.375 -6.080 -4.970 1.00 0.00 C ATOM 941 O GLN A 63 -14.376 -6.297 -5.667 1.00 0.00 O ATOM 942 CB GLN A 63 -15.115 -5.928 -2.454 1.00 0.00 C ATOM 943 CG GLN A 63 -15.218 -6.607 -1.071 1.00 0.00 C ATOM 944 CD GLN A 63 -16.648 -6.967 -0.652 1.00 0.00 C ATOM 945 OE1 GLN A 63 -17.616 -6.290 -1.014 1.00 0.00 O ATOM 946 NE2 GLN A 63 -16.795 -8.035 0.117 1.00 0.00 N ATOM 0 H GLN A 63 -13.827 -7.962 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 63 -16.640 -7.034 -3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.081 -5.628 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.713 -5.017 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.614 -7.515 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.788 -5.944 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.978 -8.576 0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.725 -8.317 0.426 1.00 0.00 H new ATOM 955 N GLY A 64 -16.323 -5.189 -5.295 1.00 0.00 N ATOM 956 CA GLY A 64 -16.334 -4.491 -6.574 1.00 0.00 C ATOM 957 C GLY A 64 -17.010 -5.345 -7.634 1.00 0.00 C ATOM 958 O GLY A 64 -18.191 -5.152 -7.919 1.00 0.00 O ATOM 0 H GLY A 64 -17.096 -4.938 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.859 -3.541 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.313 -4.260 -6.879 1.00 0.00 H new ATOM 962 N GLY A 65 -16.258 -6.327 -8.176 1.00 0.00 N ATOM 963 CA GLY A 65 -16.764 -7.243 -9.215 1.00 0.00 C ATOM 964 C GLY A 65 -16.511 -6.684 -10.603 1.00 0.00 C ATOM 965 O GLY A 65 -16.952 -5.566 -10.889 1.00 0.00 O ATOM 0 H GLY A 65 -15.290 -6.505 -7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.279 -8.214 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.833 -7.405 -9.073 1.00 0.00 H new ATOM 969 N LEU A 66 -15.781 -7.447 -11.445 1.00 0.00 N ATOM 970 CA LEU A 66 -15.402 -7.030 -12.806 1.00 0.00 C ATOM 971 C LEU A 66 -16.630 -6.670 -13.652 1.00 0.00 C ATOM 972 O LEU A 66 -16.860 -5.478 -13.903 1.00 0.00 O ATOM 973 CB LEU A 66 -14.543 -8.129 -13.501 1.00 0.00 C ATOM 974 CG LEU A 66 -13.169 -8.460 -12.841 1.00 0.00 C ATOM 975 CD1 LEU A 66 -12.416 -9.547 -13.636 1.00 0.00 C ATOM 976 CD2 LEU A 66 -12.311 -7.193 -12.675 1.00 0.00 C ATOM 0 H LEU A 66 -15.438 -8.374 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.796 -6.128 -12.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.131 -9.046 -13.543 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.361 -7.820 -14.530 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.366 -8.857 -11.845 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.462 -9.757 -13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.015 -10.457 -13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.238 -9.196 -14.653 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.360 -7.456 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.128 -6.747 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.837 -6.478 -12.042 1.00 0.00 H new ATOM 988 N GLU A 67 -17.402 -7.701 -14.057 1.00 0.00 N ATOM 989 CA GLU A 67 -18.663 -7.549 -14.806 1.00 0.00 C ATOM 990 C GLU A 67 -18.507 -6.559 -15.978 1.00 0.00 C ATOM 991 O GLU A 67 -19.175 -5.519 -16.003 1.00 0.00 O ATOM 992 CB GLU A 67 -19.807 -7.130 -13.846 1.00 0.00 C ATOM 993 CG GLU A 67 -19.996 -8.059 -12.626 1.00 0.00 C ATOM 994 CD GLU A 67 -21.100 -7.583 -11.672 1.00 0.00 C ATOM 995 OE1 GLU A 67 -20.855 -6.644 -10.885 1.00 0.00 O ATOM 996 OE2 GLU A 67 -22.226 -8.129 -11.715 1.00 0.00 O ATOM 0 H GLU A 67 -17.162 -8.674 -13.869 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.924 -8.513 -15.243 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.612 -6.119 -13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.740 -7.095 -14.408 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.234 -9.064 -12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.056 -8.126 -12.079 1.00 0.00 H new ATOM 1003 N HIS A 68 -17.545 -6.882 -16.890 1.00 0.00 N ATOM 1004 CA HIS A 68 -17.116 -6.002 -18.012 1.00 0.00 C ATOM 1005 C HIS A 68 -18.303 -5.271 -18.688 1.00 0.00 C ATOM 1006 O HIS A 68 -19.043 -5.856 -19.493 1.00 0.00 O ATOM 1007 CB HIS A 68 -16.228 -6.779 -19.040 1.00 0.00 C ATOM 1008 CG HIS A 68 -16.699 -8.160 -19.464 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -15.824 -9.207 -19.646 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -17.925 -8.658 -19.773 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -16.485 -10.269 -20.044 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -17.762 -9.966 -20.132 1.00 0.00 N ATOM 0 H HIS A 68 -17.043 -7.769 -16.864 1.00 0.00 H new ATOM 0 HA HIS A 68 -16.496 -5.217 -17.579 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.133 -6.165 -19.936 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.229 -6.879 -18.615 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -18.859 -8.117 -19.741 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.051 -11.234 -20.263 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -18.506 -10.601 -20.420 1.00 0.00 H new ATOM 1021 N HIS A 69 -18.482 -3.986 -18.286 1.00 0.00 N ATOM 1022 CA HIS A 69 -19.629 -3.151 -18.674 1.00 0.00 C ATOM 1023 C HIS A 69 -19.711 -3.044 -20.197 1.00 0.00 C ATOM 1024 O HIS A 69 -18.828 -2.454 -20.820 1.00 0.00 O ATOM 1025 CB HIS A 69 -19.517 -1.739 -18.039 1.00 0.00 C ATOM 1026 CG HIS A 69 -19.610 -1.707 -16.541 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -20.722 -1.253 -15.873 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -18.717 -2.042 -15.582 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -20.512 -1.313 -14.582 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -19.302 -1.784 -14.381 1.00 0.00 N ATOM 0 H HIS A 69 -17.822 -3.503 -17.677 1.00 0.00 H new ATOM 0 HA HIS A 69 -20.540 -3.621 -18.305 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -18.567 -1.297 -18.338 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -20.305 -1.109 -18.450 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -17.725 -2.440 -15.740 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -21.214 -1.025 -13.813 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -18.870 -1.933 -13.469 1.00 0.00 H new ATOM 1039 N HIS A 70 -20.741 -3.674 -20.778 1.00 0.00 N ATOM 1040 CA HIS A 70 -20.979 -3.661 -22.225 1.00 0.00 C ATOM 1041 C HIS A 70 -21.520 -2.280 -22.625 1.00 0.00 C ATOM 1042 O HIS A 70 -22.652 -1.940 -22.288 1.00 0.00 O ATOM 1043 CB HIS A 70 -21.974 -4.794 -22.612 1.00 0.00 C ATOM 1044 CG HIS A 70 -21.447 -6.184 -22.380 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -21.951 -7.039 -21.424 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -20.477 -6.877 -23.020 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -21.317 -8.190 -21.489 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -20.415 -8.117 -22.446 1.00 0.00 N ATOM 0 H HIS A 70 -21.434 -4.208 -20.254 1.00 0.00 H new ATOM 0 HA HIS A 70 -20.048 -3.843 -22.762 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -22.893 -4.666 -22.040 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -22.236 -4.688 -23.665 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -19.865 -6.517 -23.834 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -21.505 -9.050 -20.863 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -19.774 -8.864 -22.715 1.00 0.00 H new ATOM 1057 N HIS A 71 -20.678 -1.478 -23.304 1.00 0.00 N ATOM 1058 CA HIS A 71 -21.021 -0.105 -23.713 1.00 0.00 C ATOM 1059 C HIS A 71 -22.110 -0.109 -24.800 1.00 0.00 C ATOM 1060 O HIS A 71 -23.025 0.716 -24.754 1.00 0.00 O ATOM 1061 CB HIS A 71 -19.755 0.630 -24.217 1.00 0.00 C ATOM 1062 CG HIS A 71 -19.979 2.068 -24.605 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -19.888 2.517 -25.899 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -20.283 3.157 -23.852 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -20.123 3.813 -25.922 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -20.359 4.222 -24.698 1.00 0.00 N ATOM 0 H HIS A 71 -19.740 -1.765 -23.584 1.00 0.00 H new ATOM 0 HA HIS A 71 -21.415 0.424 -22.845 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -18.994 0.592 -23.438 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -19.357 0.093 -25.078 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -20.436 3.175 -22.783 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -20.122 4.437 -26.804 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -20.566 5.182 -24.424 1.00 0.00 H new ATOM 1075 N HIS A 72 -21.977 -1.064 -25.752 1.00 0.00 N ATOM 1076 CA HIS A 72 -22.854 -1.244 -26.934 1.00 0.00 C ATOM 1077 C HIS A 72 -22.589 -0.179 -28.013 1.00 0.00 C ATOM 1078 O HIS A 72 -22.224 -0.532 -29.144 1.00 0.00 O ATOM 1079 CB HIS A 72 -24.377 -1.314 -26.592 1.00 0.00 C ATOM 1080 CG HIS A 72 -24.771 -2.506 -25.765 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -25.250 -3.677 -26.316 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -24.771 -2.706 -24.429 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -25.524 -4.533 -25.358 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -25.237 -3.969 -24.205 1.00 0.00 N ATOM 0 H HIS A 72 -21.228 -1.756 -25.716 1.00 0.00 H new ATOM 0 HA HIS A 72 -22.586 -2.222 -27.335 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -24.660 -0.407 -26.058 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -24.946 -1.327 -27.522 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -24.459 -1.997 -23.676 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -25.918 -5.529 -25.494 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -25.345 -4.406 -23.290 1.00 0.00 H new ATOM 1093 N HIS A 73 -22.784 1.109 -27.648 1.00 0.00 N ATOM 1094 CA HIS A 73 -22.717 2.265 -28.571 1.00 0.00 C ATOM 1095 C HIS A 73 -23.943 2.229 -29.532 1.00 0.00 C ATOM 1096 O HIS A 73 -23.887 1.551 -30.580 1.00 0.00 O ATOM 1097 CB HIS A 73 -21.346 2.361 -29.342 1.00 0.00 C ATOM 1098 CG HIS A 73 -21.265 3.526 -30.302 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -20.958 4.805 -29.899 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -21.479 3.602 -31.640 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -20.992 5.610 -30.938 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -21.301 4.906 -32.007 1.00 0.00 N ATOM 1103 OXT HIS A 73 -24.967 2.869 -29.222 1.00 0.00 O ATOM 0 H HIS A 73 -22.996 1.378 -26.687 1.00 0.00 H new ATOM 0 HA HIS A 73 -22.764 3.178 -27.978 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -20.537 2.444 -28.616 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -21.185 1.435 -29.895 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -21.741 2.783 -32.294 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -20.799 6.672 -30.918 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -21.392 5.274 -32.954 1.00 0.00 H new TER 1112 HIS A 73