USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -53:sc= 1.04 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 0.953 USER MOD Set 2.1: A 87 THR OG1 : rot -93:sc= 1.18 USER MOD Set 2.2: A 94 ASN : amide:sc= -0.0676 X(o=1.1,f=1) USER MOD Set 3.1: A 63 MET CE :methyl -131:sc= -0.428 (180deg=-3!) USER MOD Set 3.2: A 71 THR OG1 : rot -3:sc= -0.0486 USER MOD Set 4.1: A 56 SER OG : rot -79:sc= -0.399 USER MOD Set 4.2: A 60 MET CE :methyl -164:sc= -3.51 (180deg=-3.9!) USER MOD Set 4.3: A 85 MET CE :methyl 163:sc= -0.966 (180deg=-1.62!) USER MOD Set 5.1: A 7 LYS NZ :NH3+ 139:sc= -0.247 (180deg=-0.0566) USER MOD Set 5.2: A 32 ASN : amide:sc= 0.651 X(o=0.4,f=-0.076) USER MOD Single : A 4 LYS NZ :NH3+ 128:sc= -0.0135 (180deg=-0.316) USER MOD Single : A 15 SER OG : rot -66:sc= 0.976 USER MOD Single : A 16 THR OG1 : rot 112:sc= 0.497 USER MOD Single : A 17 MET CE :methyl -114:sc= -0.344 (180deg=-1.83) USER MOD Single : A 23 ASN : amide:sc= -0.753 K(o=-0.75,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0.672 (180deg=0.323) USER MOD Single : A 31 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.36) USER MOD Single : A 44 ASN : amide:sc= -0.317 X(o=-0.32,f=0.094!) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.944) USER MOD Single : A 47 GLN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 51 TYR OH : rot 28:sc= -0.285 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.5) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.127 (180deg=-0.296) USER MOD Single : A 78 MET CE :methyl -142:sc= -0.175 (180deg=-0.429) USER MOD Single : A 79 SER OG : rot 72:sc= 1.21 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.62! C(o=-1.6!,f=-3.6!) USER MOD Single : A 104 SER OG : rot -110:sc= -0.378 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0.327 (180deg=0.316) USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.017 (180deg=-0.198) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 122 LYS NZ :NH3+ -120:sc= -0.0169 (180deg=-1.86!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.350 -2.417 -7.680 1.00 0.00 N ATOM 38 CA LYS A 4 -14.683 -2.533 -6.237 1.00 0.00 C ATOM 39 C LYS A 4 -14.193 -3.803 -5.522 1.00 0.00 C ATOM 40 O LYS A 4 -13.670 -3.726 -4.414 1.00 0.00 O ATOM 41 CB LYS A 4 -16.194 -2.336 -6.039 1.00 0.00 C ATOM 42 CG LYS A 4 -16.611 -0.870 -5.952 1.00 0.00 C ATOM 43 CD LYS A 4 -16.426 -0.064 -7.247 1.00 0.00 C ATOM 44 CE LYS A 4 -16.663 1.430 -7.053 1.00 0.00 C ATOM 45 NZ LYS A 4 -15.649 2.018 -6.161 1.00 0.00 N ATOM 0 HA LYS A 4 -14.117 -1.737 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.725 -2.808 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.503 -2.848 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.660 -0.823 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.037 -0.391 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.416 -0.221 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.113 -0.441 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.637 1.934 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.657 1.592 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.222 2.848 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.098 2.308 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.910 1.313 -5.963 1.00 0.00 H new ATOM 50 N GLU A 5 -14.133 -4.898 -6.262 1.00 0.00 N ATOM 51 CA GLU A 5 -13.677 -6.214 -5.749 1.00 0.00 C ATOM 52 C GLU A 5 -12.142 -6.408 -5.758 1.00 0.00 C ATOM 53 O GLU A 5 -11.638 -7.533 -5.671 1.00 0.00 O ATOM 54 CB GLU A 5 -14.410 -7.371 -6.468 1.00 0.00 C ATOM 55 CG GLU A 5 -14.144 -7.530 -7.979 1.00 0.00 C ATOM 56 CD GLU A 5 -14.978 -6.591 -8.849 1.00 0.00 C ATOM 57 OE1 GLU A 5 -14.529 -5.430 -9.014 1.00 0.00 O ATOM 58 OE2 GLU A 5 -16.057 -7.027 -9.290 1.00 0.00 O ATOM 0 H GLU A 5 -14.398 -4.916 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.950 -6.231 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.138 -8.304 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.482 -7.236 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.087 -7.350 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.351 -8.560 -8.269 1.00 0.00 H new ATOM 60 N LEU A 6 -11.421 -5.299 -5.650 1.00 0.00 N ATOM 61 CA LEU A 6 -9.940 -5.281 -5.645 1.00 0.00 C ATOM 62 C LEU A 6 -9.414 -5.712 -4.262 1.00 0.00 C ATOM 63 O LEU A 6 -9.938 -5.293 -3.234 1.00 0.00 O ATOM 64 CB LEU A 6 -9.473 -3.865 -5.992 1.00 0.00 C ATOM 65 CG LEU A 6 -8.046 -3.840 -6.574 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.856 -2.608 -7.460 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.974 -3.886 -5.499 1.00 0.00 C ATOM 0 H LEU A 6 -11.839 -4.373 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.549 -5.981 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.163 -3.424 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.508 -3.245 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.932 -4.742 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.844 -2.603 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.574 -2.635 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.015 -1.706 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.989 -3.866 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.081 -3.024 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.081 -4.802 -4.917 1.00 0.00 H new ATOM 69 N LYS A 7 -8.444 -6.623 -4.309 1.00 0.00 N ATOM 70 CA LYS A 7 -7.768 -7.185 -3.128 1.00 0.00 C ATOM 71 C LYS A 7 -6.618 -6.302 -2.626 1.00 0.00 C ATOM 72 O LYS A 7 -5.574 -6.168 -3.258 1.00 0.00 O ATOM 73 CB LYS A 7 -7.325 -8.609 -3.475 1.00 0.00 C ATOM 74 CG LYS A 7 -7.562 -9.546 -2.290 1.00 0.00 C ATOM 75 CD LYS A 7 -7.552 -11.027 -2.710 1.00 0.00 C ATOM 76 CE LYS A 7 -8.719 -11.450 -3.608 1.00 0.00 C ATOM 77 NZ LYS A 7 -10.006 -11.355 -2.901 1.00 0.00 N ATOM 0 H LYS A 7 -8.094 -7.004 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.462 -7.218 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.876 -8.966 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.269 -8.613 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.792 -9.378 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.519 -9.308 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.617 -11.236 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.561 -11.645 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.743 -10.819 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.565 -12.474 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.726 -10.964 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.300 -12.302 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.903 -10.732 -2.074 1.00 0.00 H new ATOM 82 N PHE A 8 -6.926 -5.620 -1.518 1.00 0.00 N ATOM 83 CA PHE A 8 -6.023 -4.681 -0.815 1.00 0.00 C ATOM 84 C PHE A 8 -5.418 -5.240 0.471 1.00 0.00 C ATOM 85 O PHE A 8 -6.053 -5.988 1.212 1.00 0.00 O ATOM 86 CB PHE A 8 -6.823 -3.459 -0.328 1.00 0.00 C ATOM 87 CG PHE A 8 -7.180 -2.444 -1.400 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.339 -2.628 -2.187 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.385 -1.279 -1.520 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.698 -1.634 -3.119 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.743 -0.285 -2.452 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.892 -0.473 -3.246 1.00 0.00 C ATOM 0 H PHE A 8 -7.836 -5.703 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.242 -4.461 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.744 -3.811 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.247 -2.955 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.941 -3.518 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.509 -1.153 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.579 -1.755 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.145 0.608 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.165 0.283 -3.967 1.00 0.00 H new ATOM 94 N LEU A 9 -4.153 -4.875 0.675 1.00 0.00 N ATOM 95 CA LEU A 9 -3.484 -5.224 1.936 1.00 0.00 C ATOM 96 C LEU A 9 -3.037 -3.955 2.675 1.00 0.00 C ATOM 97 O LEU A 9 -2.165 -3.203 2.241 1.00 0.00 O ATOM 98 CB LEU A 9 -2.277 -6.131 1.728 1.00 0.00 C ATOM 99 CG LEU A 9 -2.286 -7.281 2.755 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.956 -8.002 2.635 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.434 -6.867 4.227 1.00 0.00 C ATOM 0 H LEU A 9 -3.582 -4.354 0.009 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.215 -5.770 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.290 -6.538 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.358 -5.553 1.828 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.163 -7.884 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.923 -8.826 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.844 -8.393 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.144 -7.306 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.428 -7.756 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.605 -6.217 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.375 -6.333 4.362 1.00 0.00 H new ATOM 103 N VAL A 10 -3.708 -3.746 3.805 1.00 0.00 N ATOM 104 CA VAL A 10 -3.429 -2.635 4.729 1.00 0.00 C ATOM 105 C VAL A 10 -2.280 -3.125 5.626 1.00 0.00 C ATOM 106 O VAL A 10 -2.481 -3.902 6.543 1.00 0.00 O ATOM 107 CB VAL A 10 -4.687 -2.250 5.519 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.388 -1.184 6.577 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.762 -1.699 4.586 1.00 0.00 C ATOM 0 H VAL A 10 -4.472 -4.348 4.114 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.138 -1.723 4.208 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.037 -3.158 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.304 -0.938 7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.646 -1.566 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.001 -0.288 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.645 -1.432 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.382 -0.814 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.027 -2.457 3.849 1.00 0.00 H new ATOM 111 N VAL A 11 -1.080 -2.774 5.199 1.00 0.00 N ATOM 112 CA VAL A 11 0.157 -3.119 5.912 1.00 0.00 C ATOM 113 C VAL A 11 0.540 -1.880 6.734 1.00 0.00 C ATOM 114 O VAL A 11 1.358 -1.035 6.362 1.00 0.00 O ATOM 115 CB VAL A 11 1.290 -3.541 4.967 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.363 -4.234 5.803 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.839 -4.491 3.858 1.00 0.00 C ATOM 0 H VAL A 11 -0.926 -2.239 4.345 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.008 -3.986 6.552 1.00 0.00 H new ATOM 0 HB VAL A 11 1.661 -2.642 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.183 -4.546 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.739 -3.543 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.934 -5.108 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.692 -4.747 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.429 -5.399 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.074 -4.006 3.252 1.00 0.00 H new ATOM 119 N ASP A 12 -0.070 -1.859 7.910 1.00 0.00 N ATOM 120 CA ASP A 12 0.062 -0.729 8.835 1.00 0.00 C ATOM 121 C ASP A 12 0.502 -1.140 10.240 1.00 0.00 C ATOM 122 O ASP A 12 -0.246 -1.745 11.006 1.00 0.00 O ATOM 123 CB ASP A 12 -1.304 -0.033 8.817 1.00 0.00 C ATOM 124 CG ASP A 12 -1.355 1.336 9.493 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.904 1.422 10.660 1.00 0.00 O ATOM 126 OD2 ASP A 12 -1.876 2.242 8.827 1.00 0.00 O ATOM 0 H ASP A 12 -0.665 -2.613 8.253 1.00 0.00 H new ATOM 0 HA ASP A 12 0.858 -0.056 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.620 0.081 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.031 -0.685 9.302 1.00 0.00 H new ATOM 128 N ASP A 13 1.636 -0.555 10.602 1.00 0.00 N ATOM 129 CA ASP A 13 2.322 -0.757 11.903 1.00 0.00 C ATOM 130 C ASP A 13 1.509 -0.372 13.154 1.00 0.00 C ATOM 131 O ASP A 13 1.742 -0.905 14.237 1.00 0.00 O ATOM 132 CB ASP A 13 3.672 -0.036 11.891 1.00 0.00 C ATOM 133 CG ASP A 13 3.597 1.493 11.811 1.00 0.00 C ATOM 134 OD1 ASP A 13 2.999 1.991 10.831 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.117 2.138 12.749 1.00 0.00 O ATOM 0 H ASP A 13 2.131 0.095 9.991 1.00 0.00 H new ATOM 0 HA ASP A 13 2.457 -1.835 11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.220 -0.310 12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.252 -0.400 11.043 1.00 0.00 H new ATOM 137 N PHE A 14 0.598 0.587 12.981 1.00 0.00 N ATOM 138 CA PHE A 14 -0.249 1.075 14.082 1.00 0.00 C ATOM 139 C PHE A 14 -1.606 0.371 13.957 1.00 0.00 C ATOM 140 O PHE A 14 -2.391 0.666 13.058 1.00 0.00 O ATOM 141 CB PHE A 14 -0.420 2.590 13.928 1.00 0.00 C ATOM 142 CG PHE A 14 -0.634 3.318 15.259 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.398 3.348 16.218 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.816 4.076 15.436 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.260 4.157 17.372 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.959 4.886 16.582 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.914 4.920 17.545 1.00 0.00 C ATOM 0 H PHE A 14 0.424 1.046 12.087 1.00 0.00 H new ATOM 0 HA PHE A 14 0.192 0.867 15.057 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.463 2.999 13.437 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.269 2.787 13.274 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.290 2.757 16.074 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.604 4.035 14.698 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.046 4.190 18.112 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.853 5.474 16.726 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.020 5.540 18.423 1.00 0.00 H new ATOM 149 N SER A 15 -1.811 -0.613 14.827 1.00 0.00 N ATOM 150 CA SER A 15 -3.045 -1.444 14.901 1.00 0.00 C ATOM 151 C SER A 15 -4.349 -0.636 14.733 1.00 0.00 C ATOM 152 O SER A 15 -5.211 -0.997 13.930 1.00 0.00 O ATOM 153 CB SER A 15 -3.075 -2.201 16.229 1.00 0.00 C ATOM 154 OG SER A 15 -1.790 -2.793 16.459 1.00 0.00 O ATOM 0 H SER A 15 -1.115 -0.875 15.526 1.00 0.00 H new ATOM 0 HA SER A 15 -3.002 -2.138 14.061 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.328 -1.522 17.043 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.846 -2.972 16.206 1.00 0.00 H new ATOM 0 HG SER A 15 -1.620 -3.480 15.781 1.00 0.00 H new ATOM 157 N THR A 16 -4.400 0.518 15.383 1.00 0.00 N ATOM 158 CA THR A 16 -5.535 1.472 15.327 1.00 0.00 C ATOM 159 C THR A 16 -5.724 2.036 13.911 1.00 0.00 C ATOM 160 O THR A 16 -6.776 1.844 13.294 1.00 0.00 O ATOM 161 CB THR A 16 -5.303 2.642 16.291 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.227 2.348 17.198 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.586 2.974 17.051 1.00 0.00 C ATOM 0 H THR A 16 -3.641 0.839 15.984 1.00 0.00 H new ATOM 0 HA THR A 16 -6.431 0.922 15.616 1.00 0.00 H new ATOM 0 HB THR A 16 -5.020 3.518 15.707 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.464 2.930 17.000 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.402 3.807 17.730 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.367 3.250 16.343 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.906 2.103 17.623 1.00 0.00 H new ATOM 166 N MET A 17 -4.627 2.555 13.340 1.00 0.00 N ATOM 167 CA MET A 17 -4.625 3.138 11.975 1.00 0.00 C ATOM 168 C MET A 17 -4.943 2.057 10.913 1.00 0.00 C ATOM 169 O MET A 17 -5.657 2.335 9.943 1.00 0.00 O ATOM 170 CB MET A 17 -3.267 3.788 11.718 1.00 0.00 C ATOM 171 CG MET A 17 -3.268 4.629 10.438 1.00 0.00 C ATOM 172 SD MET A 17 -1.573 5.119 9.951 1.00 0.00 S ATOM 173 CE MET A 17 -1.872 5.379 8.215 1.00 0.00 C ATOM 0 H MET A 17 -3.718 2.586 13.802 1.00 0.00 H new ATOM 0 HA MET A 17 -5.404 3.897 11.900 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.000 4.419 12.566 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.503 3.014 11.643 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.730 4.062 9.630 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.876 5.521 10.589 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.321 4.638 7.636 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.938 5.280 8.011 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.540 6.378 7.934 1.00 0.00 H new ATOM 175 N ARG A 18 -4.453 0.848 11.149 1.00 0.00 N ATOM 176 CA ARG A 18 -4.676 -0.335 10.284 1.00 0.00 C ATOM 177 C ARG A 18 -6.176 -0.542 10.031 1.00 0.00 C ATOM 178 O ARG A 18 -6.623 -0.523 8.881 1.00 0.00 O ATOM 179 CB ARG A 18 -4.067 -1.537 11.009 1.00 0.00 C ATOM 180 CG ARG A 18 -3.763 -2.722 10.099 1.00 0.00 C ATOM 181 CD ARG A 18 -3.601 -3.994 10.948 1.00 0.00 C ATOM 182 NE ARG A 18 -4.940 -4.435 11.375 1.00 0.00 N ATOM 183 CZ ARG A 18 -5.280 -5.000 12.525 1.00 0.00 C ATOM 184 NH1 ARG A 18 -4.493 -4.966 13.590 1.00 0.00 N ATOM 185 NH2 ARG A 18 -6.534 -5.406 12.702 1.00 0.00 N ATOM 0 H ARG A 18 -3.874 0.643 11.963 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.208 -0.201 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.146 -1.223 11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.752 -1.860 11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.568 -2.855 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.852 -2.533 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.109 -4.777 10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.972 -3.795 11.815 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.696 -4.288 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.590 -4.493 13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.790 -5.413 14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.220 -5.281 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.809 -5.842 13.582 1.00 0.00 H new ATOM 192 N ARG A 19 -6.945 -0.541 11.124 1.00 0.00 N ATOM 193 CA ARG A 19 -8.413 -0.655 11.118 1.00 0.00 C ATOM 194 C ARG A 19 -9.033 0.492 10.295 1.00 0.00 C ATOM 195 O ARG A 19 -9.640 0.238 9.255 1.00 0.00 O ATOM 196 CB ARG A 19 -8.923 -0.619 12.569 1.00 0.00 C ATOM 197 CG ARG A 19 -10.437 -0.806 12.686 1.00 0.00 C ATOM 198 CD ARG A 19 -10.956 -0.525 14.104 1.00 0.00 C ATOM 199 NE ARG A 19 -10.466 -1.546 15.043 1.00 0.00 N ATOM 200 CZ ARG A 19 -10.773 -1.643 16.342 1.00 0.00 C ATOM 201 NH1 ARG A 19 -11.544 -0.766 16.963 1.00 0.00 N ATOM 202 NH2 ARG A 19 -10.259 -2.643 17.043 1.00 0.00 N ATOM 0 H ARG A 19 -6.557 -0.459 12.064 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.707 -1.598 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.423 -1.400 13.142 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.646 0.334 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.937 -0.142 11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.697 -1.826 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.629 0.463 14.428 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.046 -0.516 14.104 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.830 -2.249 14.667 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.932 0.026 16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.751 -0.881 17.955 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.643 -3.319 16.591 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.479 -2.737 18.035 1.00 0.00 H new ATOM 209 N ILE A 20 -8.624 1.713 10.607 1.00 0.00 N ATOM 210 CA ILE A 20 -9.106 2.945 9.940 1.00 0.00 C ATOM 211 C ILE A 20 -8.916 2.891 8.412 1.00 0.00 C ATOM 212 O ILE A 20 -9.913 2.991 7.695 1.00 0.00 O ATOM 213 CB ILE A 20 -8.478 4.193 10.598 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.871 4.232 12.083 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.942 5.486 9.907 1.00 0.00 C ATOM 216 CD1 ILE A 20 -7.944 5.103 12.951 1.00 0.00 C ATOM 0 H ILE A 20 -7.938 1.894 11.340 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.184 3.019 10.085 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.395 4.128 10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.891 4.607 12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.871 3.215 12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.481 6.345 10.395 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.647 5.464 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.027 5.567 9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.286 5.080 13.986 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.926 4.717 12.897 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.962 6.130 12.586 1.00 0.00 H new ATOM 218 N VAL A 21 -7.708 2.583 7.931 1.00 0.00 N ATOM 219 CA VAL A 21 -7.425 2.489 6.469 1.00 0.00 C ATOM 220 C VAL A 21 -8.356 1.464 5.791 1.00 0.00 C ATOM 221 O VAL A 21 -8.976 1.771 4.767 1.00 0.00 O ATOM 222 CB VAL A 21 -5.946 2.146 6.158 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.651 2.304 4.662 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.949 3.029 6.911 1.00 0.00 C ATOM 0 H VAL A 21 -6.899 2.392 8.522 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.619 3.481 6.060 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.820 1.113 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.607 2.058 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.293 1.633 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.843 3.334 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.933 2.736 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.108 4.072 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.095 2.909 7.984 1.00 0.00 H new ATOM 226 N ARG A 22 -8.517 0.313 6.435 1.00 0.00 N ATOM 227 CA ARG A 22 -9.402 -0.791 6.001 1.00 0.00 C ATOM 228 C ARG A 22 -10.845 -0.264 5.834 1.00 0.00 C ATOM 229 O ARG A 22 -11.425 -0.356 4.747 1.00 0.00 O ATOM 230 CB ARG A 22 -9.306 -1.855 7.097 1.00 0.00 C ATOM 231 CG ARG A 22 -9.815 -3.232 6.700 1.00 0.00 C ATOM 232 CD ARG A 22 -10.512 -3.883 7.891 1.00 0.00 C ATOM 233 NE ARG A 22 -11.913 -3.451 7.919 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.979 -4.247 8.014 1.00 0.00 C ATOM 235 NH1 ARG A 22 -12.858 -5.538 8.299 1.00 0.00 N ATOM 236 NH2 ARG A 22 -14.203 -3.756 7.893 1.00 0.00 N ATOM 0 H ARG A 22 -8.024 0.104 7.303 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.110 -1.210 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.265 -1.944 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.868 -1.512 7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.507 -3.147 5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.985 -3.855 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.454 -4.969 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.013 -3.603 8.819 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.089 -2.448 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.934 -5.942 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.689 -6.126 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.338 -2.759 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.010 -4.375 7.968 1.00 0.00 H new ATOM 243 N ASN A 23 -11.343 0.433 6.860 1.00 0.00 N ATOM 244 CA ASN A 23 -12.684 1.069 6.875 1.00 0.00 C ATOM 245 C ASN A 23 -12.846 2.119 5.758 1.00 0.00 C ATOM 246 O ASN A 23 -13.886 2.196 5.123 1.00 0.00 O ATOM 247 CB ASN A 23 -12.960 1.731 8.234 1.00 0.00 C ATOM 248 CG ASN A 23 -13.093 0.721 9.376 1.00 0.00 C ATOM 249 OD1 ASN A 23 -12.157 0.346 10.058 1.00 0.00 O ATOM 250 ND2 ASN A 23 -14.307 0.322 9.683 1.00 0.00 N ATOM 0 H ASN A 23 -10.823 0.580 7.725 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.406 0.271 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.153 2.426 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.876 2.318 8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.455 -0.293 10.483 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.102 0.628 9.121 1.00 0.00 H new ATOM 254 N LEU A 24 -11.796 2.922 5.544 1.00 0.00 N ATOM 255 CA LEU A 24 -11.743 3.961 4.492 1.00 0.00 C ATOM 256 C LEU A 24 -11.993 3.342 3.102 1.00 0.00 C ATOM 257 O LEU A 24 -12.844 3.816 2.349 1.00 0.00 O ATOM 258 CB LEU A 24 -10.379 4.654 4.478 1.00 0.00 C ATOM 259 CG LEU A 24 -10.082 5.489 5.724 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.703 6.147 5.610 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.128 6.567 6.028 1.00 0.00 C ATOM 0 H LEU A 24 -10.944 2.872 6.102 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.521 4.691 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.602 3.898 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.322 5.299 3.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.110 4.784 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.507 6.738 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.939 5.376 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.681 6.796 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.839 7.111 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.191 7.260 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.099 6.098 6.184 1.00 0.00 H new ATOM 263 N LEU A 25 -11.242 2.287 2.808 1.00 0.00 N ATOM 264 CA LEU A 25 -11.360 1.512 1.557 1.00 0.00 C ATOM 265 C LEU A 25 -12.786 0.988 1.342 1.00 0.00 C ATOM 266 O LEU A 25 -13.391 1.220 0.294 1.00 0.00 O ATOM 267 CB LEU A 25 -10.368 0.342 1.532 1.00 0.00 C ATOM 268 CG LEU A 25 -8.961 0.917 1.481 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.902 -0.116 1.882 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.613 1.495 0.101 1.00 0.00 C ATOM 0 H LEU A 25 -10.520 1.932 3.435 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.121 2.195 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.493 -0.282 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.551 -0.294 0.666 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.952 1.730 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.913 0.339 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.093 -0.457 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.946 -0.966 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.598 1.892 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.682 0.709 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.312 2.295 -0.145 1.00 0.00 H new ATOM 272 N LYS A 26 -13.333 0.439 2.422 1.00 0.00 N ATOM 273 CA LYS A 26 -14.728 -0.056 2.480 1.00 0.00 C ATOM 274 C LYS A 26 -15.722 1.067 2.103 1.00 0.00 C ATOM 275 O LYS A 26 -16.519 0.894 1.186 1.00 0.00 O ATOM 276 CB LYS A 26 -15.058 -0.587 3.869 1.00 0.00 C ATOM 277 CG LYS A 26 -14.440 -1.955 4.188 1.00 0.00 C ATOM 278 CD LYS A 26 -15.114 -3.079 3.402 1.00 0.00 C ATOM 279 CE LYS A 26 -14.723 -4.441 3.982 1.00 0.00 C ATOM 280 NZ LYS A 26 -15.396 -5.510 3.230 1.00 0.00 N ATOM 0 H LYS A 26 -12.825 0.318 3.298 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.822 -0.870 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.716 0.134 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.141 -0.659 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.375 -1.936 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.529 -2.154 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.197 -2.958 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.821 -3.025 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.642 -4.572 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.001 -4.493 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.505 -6.346 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.333 -5.181 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.826 -5.760 2.397 1.00 0.00 H new ATOM 285 N GLU A 27 -15.525 2.249 2.685 1.00 0.00 N ATOM 286 CA GLU A 27 -16.322 3.463 2.440 1.00 0.00 C ATOM 287 C GLU A 27 -16.281 3.911 0.966 1.00 0.00 C ATOM 288 O GLU A 27 -17.272 4.400 0.435 1.00 0.00 O ATOM 289 CB GLU A 27 -15.772 4.552 3.357 1.00 0.00 C ATOM 290 CG GLU A 27 -16.297 4.419 4.799 1.00 0.00 C ATOM 291 CD GLU A 27 -15.723 5.519 5.678 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.641 5.287 6.259 1.00 0.00 O ATOM 293 OE2 GLU A 27 -16.394 6.569 5.790 1.00 0.00 O ATOM 0 H GLU A 27 -14.780 2.399 3.366 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.371 3.260 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.683 4.504 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.046 5.530 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.386 4.473 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.025 3.444 5.203 1.00 0.00 H new ATOM 295 N LEU A 28 -15.099 3.779 0.354 1.00 0.00 N ATOM 296 CA LEU A 28 -14.856 4.083 -1.070 1.00 0.00 C ATOM 297 C LEU A 28 -15.500 3.065 -2.047 1.00 0.00 C ATOM 298 O LEU A 28 -15.465 3.265 -3.263 1.00 0.00 O ATOM 299 CB LEU A 28 -13.351 4.135 -1.338 1.00 0.00 C ATOM 300 CG LEU A 28 -12.628 5.254 -0.584 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.107 5.059 -0.692 1.00 0.00 C ATOM 302 CD2 LEU A 28 -13.024 6.646 -1.073 1.00 0.00 C ATOM 0 H LEU A 28 -14.264 3.452 0.840 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.327 5.048 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.909 3.178 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.186 4.265 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.933 5.191 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.599 5.859 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.832 4.097 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.811 5.082 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.481 7.400 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.778 6.744 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.096 6.789 -0.935 1.00 0.00 H new ATOM 304 N GLY A 29 -15.933 1.938 -1.490 1.00 0.00 N ATOM 305 CA GLY A 29 -16.573 0.827 -2.223 1.00 0.00 C ATOM 306 C GLY A 29 -15.705 -0.438 -2.366 1.00 0.00 C ATOM 307 O GLY A 29 -16.207 -1.478 -2.791 1.00 0.00 O ATOM 0 H GLY A 29 -15.851 1.758 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.499 0.560 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.847 1.177 -3.218 1.00 0.00 H new ATOM 309 N PHE A 30 -14.470 -0.408 -1.847 1.00 0.00 N ATOM 310 CA PHE A 30 -13.536 -1.530 -1.958 1.00 0.00 C ATOM 311 C PHE A 30 -13.793 -2.668 -0.964 1.00 0.00 C ATOM 312 O PHE A 30 -13.560 -2.578 0.245 1.00 0.00 O ATOM 313 CB PHE A 30 -12.077 -1.056 -1.964 1.00 0.00 C ATOM 314 CG PHE A 30 -11.801 -0.183 -3.209 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.818 -0.780 -4.491 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.521 1.185 -3.039 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.544 0.016 -5.629 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.243 1.980 -4.169 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.268 1.394 -5.456 1.00 0.00 C ATOM 0 H PHE A 30 -14.094 0.393 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.732 -1.980 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.869 -0.486 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.408 -1.917 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.038 -1.832 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.519 1.622 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.545 -0.422 -6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.013 3.029 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.073 2.009 -6.322 1.00 0.00 H new ATOM 321 N ASN A 31 -14.272 -3.736 -1.587 1.00 0.00 N ATOM 322 CA ASN A 31 -14.714 -5.008 -0.980 1.00 0.00 C ATOM 323 C ASN A 31 -13.639 -5.895 -0.335 1.00 0.00 C ATOM 324 O ASN A 31 -13.782 -6.269 0.834 1.00 0.00 O ATOM 325 CB ASN A 31 -15.448 -5.851 -2.023 1.00 0.00 C ATOM 326 CG ASN A 31 -16.572 -5.119 -2.772 1.00 0.00 C ATOM 327 OD1 ASN A 31 -16.664 -5.150 -3.987 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.382 -4.366 -2.065 1.00 0.00 N ATOM 0 H ASN A 31 -14.374 -3.749 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.349 -4.680 -0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.723 -6.214 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.870 -6.726 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.093 -3.803 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.301 -4.344 -1.048 1.00 0.00 H new ATOM 332 N ASN A 32 -12.563 -6.184 -1.065 1.00 0.00 N ATOM 333 CA ASN A 32 -11.539 -7.120 -0.565 1.00 0.00 C ATOM 334 C ASN A 32 -10.331 -6.441 0.078 1.00 0.00 C ATOM 335 O ASN A 32 -9.463 -5.885 -0.605 1.00 0.00 O ATOM 336 CB ASN A 32 -11.113 -8.076 -1.677 1.00 0.00 C ATOM 337 CG ASN A 32 -12.220 -9.047 -2.091 1.00 0.00 C ATOM 338 OD1 ASN A 32 -12.800 -9.776 -1.297 1.00 0.00 O ATOM 339 ND2 ASN A 32 -12.462 -9.154 -3.380 1.00 0.00 N ATOM 0 H ASN A 32 -12.373 -5.795 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.007 -7.685 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.802 -7.497 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.244 -8.645 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.133 -9.844 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.979 -8.547 -4.042 1.00 0.00 H new ATOM 343 N VAL A 33 -10.380 -6.363 1.402 1.00 0.00 N ATOM 344 CA VAL A 33 -9.301 -5.731 2.178 1.00 0.00 C ATOM 345 C VAL A 33 -8.839 -6.557 3.398 1.00 0.00 C ATOM 346 O VAL A 33 -9.621 -6.867 4.300 1.00 0.00 O ATOM 347 CB VAL A 33 -9.677 -4.267 2.479 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.956 -4.092 3.303 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.505 -3.521 3.121 1.00 0.00 C ATOM 0 H VAL A 33 -11.149 -6.726 1.966 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.398 -5.712 1.568 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.899 -3.824 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.142 -3.030 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.798 -4.529 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.840 -4.592 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.797 -2.490 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.230 -4.010 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.652 -3.530 2.442 1.00 0.00 H new ATOM 351 N GLU A 34 -7.564 -6.934 3.353 1.00 0.00 N ATOM 352 CA GLU A 34 -6.905 -7.694 4.424 1.00 0.00 C ATOM 353 C GLU A 34 -5.959 -6.767 5.195 1.00 0.00 C ATOM 354 O GLU A 34 -5.512 -5.742 4.682 1.00 0.00 O ATOM 355 CB GLU A 34 -6.195 -8.930 3.872 1.00 0.00 C ATOM 356 CG GLU A 34 -7.153 -10.097 3.568 1.00 0.00 C ATOM 357 CD GLU A 34 -8.164 -9.819 2.437 1.00 0.00 C ATOM 358 OE1 GLU A 34 -7.713 -9.770 1.266 1.00 0.00 O ATOM 359 OE2 GLU A 34 -9.353 -9.657 2.760 1.00 0.00 O ATOM 0 H GLU A 34 -6.949 -6.721 2.567 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.656 -8.066 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.663 -8.658 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.446 -9.262 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.563 -10.974 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.703 -10.345 4.476 1.00 0.00 H new ATOM 361 N GLU A 35 -5.591 -7.193 6.403 1.00 0.00 N ATOM 362 CA GLU A 35 -4.779 -6.374 7.309 1.00 0.00 C ATOM 363 C GLU A 35 -3.557 -7.051 7.971 1.00 0.00 C ATOM 364 O GLU A 35 -3.658 -8.098 8.596 1.00 0.00 O ATOM 365 CB GLU A 35 -5.691 -5.705 8.352 1.00 0.00 C ATOM 366 CG GLU A 35 -6.495 -6.651 9.259 1.00 0.00 C ATOM 367 CD GLU A 35 -7.734 -7.267 8.598 1.00 0.00 C ATOM 368 OE1 GLU A 35 -8.798 -6.627 8.691 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.604 -8.398 8.071 1.00 0.00 O ATOM 0 H GLU A 35 -5.843 -8.106 6.781 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.309 -5.632 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.076 -5.065 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.392 -5.056 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.840 -7.455 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.808 -6.103 10.148 1.00 0.00 H new ATOM 371 N ALA A 36 -2.403 -6.470 7.662 1.00 0.00 N ATOM 372 CA ALA A 36 -1.072 -6.863 8.200 1.00 0.00 C ATOM 373 C ALA A 36 -0.417 -5.653 8.893 1.00 0.00 C ATOM 374 O ALA A 36 -0.828 -4.511 8.692 1.00 0.00 O ATOM 375 CB ALA A 36 -0.186 -7.368 7.060 1.00 0.00 C ATOM 0 H ALA A 36 -2.348 -5.686 7.011 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.195 -7.663 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.788 -7.655 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.656 -8.232 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.058 -6.577 6.321 1.00 0.00 H new ATOM 377 N GLU A 37 0.625 -5.888 9.678 1.00 0.00 N ATOM 378 CA GLU A 37 1.303 -4.778 10.386 1.00 0.00 C ATOM 379 C GLU A 37 2.708 -4.380 9.922 1.00 0.00 C ATOM 380 O GLU A 37 3.007 -3.209 9.721 1.00 0.00 O ATOM 381 CB GLU A 37 1.321 -4.988 11.903 1.00 0.00 C ATOM 382 CG GLU A 37 -0.031 -4.623 12.521 1.00 0.00 C ATOM 383 CD GLU A 37 0.010 -4.483 14.051 1.00 0.00 C ATOM 384 OE1 GLU A 37 1.025 -3.964 14.571 1.00 0.00 O ATOM 385 OE2 GLU A 37 -1.003 -4.856 14.691 1.00 0.00 O ATOM 0 H GLU A 37 1.023 -6.812 9.848 1.00 0.00 H new ATOM 0 HA GLU A 37 0.671 -3.936 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.559 -6.028 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.106 -4.378 12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.378 -3.685 12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.761 -5.387 12.254 1.00 0.00 H new ATOM 387 N ASP A 38 3.496 -5.391 9.576 1.00 0.00 N ATOM 388 CA ASP A 38 4.905 -5.218 9.177 1.00 0.00 C ATOM 389 C ASP A 38 5.211 -5.913 7.841 1.00 0.00 C ATOM 390 O ASP A 38 4.509 -6.870 7.498 1.00 0.00 O ATOM 391 CB ASP A 38 5.801 -5.763 10.295 1.00 0.00 C ATOM 392 CG ASP A 38 5.595 -7.265 10.532 1.00 0.00 C ATOM 393 OD1 ASP A 38 4.622 -7.595 11.239 1.00 0.00 O ATOM 394 OD2 ASP A 38 6.261 -8.038 9.816 1.00 0.00 O ATOM 0 H ASP A 38 3.183 -6.362 9.561 1.00 0.00 H new ATOM 0 HA ASP A 38 5.102 -4.157 9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.845 -5.578 10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.595 -5.221 11.218 1.00 0.00 H new ATOM 396 N GLY A 39 6.375 -5.586 7.300 1.00 0.00 N ATOM 397 CA GLY A 39 6.921 -6.119 6.034 1.00 0.00 C ATOM 398 C GLY A 39 6.770 -7.636 5.864 1.00 0.00 C ATOM 399 O GLY A 39 6.072 -8.096 4.964 1.00 0.00 O ATOM 0 H GLY A 39 7.002 -4.913 7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.424 -5.622 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.979 -5.863 5.973 1.00 0.00 H new ATOM 401 N VAL A 40 7.327 -8.386 6.823 1.00 0.00 N ATOM 402 CA VAL A 40 7.266 -9.858 6.844 1.00 0.00 C ATOM 403 C VAL A 40 5.814 -10.369 6.779 1.00 0.00 C ATOM 404 O VAL A 40 5.416 -10.902 5.737 1.00 0.00 O ATOM 405 CB VAL A 40 8.078 -10.404 8.038 1.00 0.00 C ATOM 406 CG1 VAL A 40 7.815 -11.869 8.367 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.567 -10.217 7.758 1.00 0.00 C ATOM 0 H VAL A 40 7.836 -7.989 7.612 1.00 0.00 H new ATOM 0 HA VAL A 40 7.737 -10.252 5.943 1.00 0.00 H new ATOM 0 HB VAL A 40 7.753 -9.834 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.428 -12.166 9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.762 -12.003 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.067 -12.486 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.146 -10.601 8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.838 -10.760 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.782 -9.157 7.624 1.00 0.00 H new ATOM 409 N ASP A 41 4.991 -9.959 7.754 1.00 0.00 N ATOM 410 CA ASP A 41 3.565 -10.358 7.825 1.00 0.00 C ATOM 411 C ASP A 41 2.775 -10.054 6.549 1.00 0.00 C ATOM 412 O ASP A 41 1.918 -10.841 6.131 1.00 0.00 O ATOM 413 CB ASP A 41 2.903 -9.728 9.062 1.00 0.00 C ATOM 414 CG ASP A 41 3.352 -10.400 10.366 1.00 0.00 C ATOM 415 OD1 ASP A 41 4.571 -10.340 10.650 1.00 0.00 O ATOM 416 OD2 ASP A 41 2.453 -10.905 11.066 1.00 0.00 O ATOM 0 H ASP A 41 5.285 -9.346 8.514 1.00 0.00 H new ATOM 0 HA ASP A 41 3.546 -11.444 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.146 -8.666 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.820 -9.804 8.970 1.00 0.00 H new ATOM 418 N ALA A 42 3.159 -8.967 5.884 1.00 0.00 N ATOM 419 CA ALA A 42 2.583 -8.526 4.606 1.00 0.00 C ATOM 420 C ALA A 42 2.890 -9.535 3.475 1.00 0.00 C ATOM 421 O ALA A 42 1.948 -10.049 2.886 1.00 0.00 O ATOM 422 CB ALA A 42 3.156 -7.160 4.244 1.00 0.00 C ATOM 0 H ALA A 42 3.897 -8.350 6.223 1.00 0.00 H new ATOM 0 HA ALA A 42 1.501 -8.462 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.732 -6.827 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.906 -6.442 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.240 -7.233 4.151 1.00 0.00 H new ATOM 424 N LEU A 43 4.161 -9.917 3.323 1.00 0.00 N ATOM 425 CA LEU A 43 4.586 -10.912 2.312 1.00 0.00 C ATOM 426 C LEU A 43 3.857 -12.249 2.526 1.00 0.00 C ATOM 427 O LEU A 43 3.381 -12.860 1.566 1.00 0.00 O ATOM 428 CB LEU A 43 6.104 -11.181 2.336 1.00 0.00 C ATOM 429 CG LEU A 43 6.966 -10.012 1.829 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.439 -10.416 1.964 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.685 -9.643 0.375 1.00 0.00 C ATOM 0 H LEU A 43 4.927 -9.553 3.890 1.00 0.00 H new ATOM 0 HA LEU A 43 4.328 -10.482 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.402 -11.420 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.314 -12.061 1.728 1.00 0.00 H new ATOM 0 HG LEU A 43 6.723 -9.135 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.073 -9.603 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.665 -10.624 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.628 -11.309 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.326 -8.812 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.888 -10.502 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.640 -9.351 0.269 1.00 0.00 H new ATOM 433 N ASN A 44 3.762 -12.666 3.789 1.00 0.00 N ATOM 434 CA ASN A 44 3.033 -13.886 4.192 1.00 0.00 C ATOM 435 C ASN A 44 1.588 -13.850 3.672 1.00 0.00 C ATOM 436 O ASN A 44 1.230 -14.602 2.768 1.00 0.00 O ATOM 437 CB ASN A 44 3.012 -14.003 5.726 1.00 0.00 C ATOM 438 CG ASN A 44 4.383 -14.270 6.345 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.161 -13.362 6.619 1.00 0.00 O ATOM 440 ND2 ASN A 44 4.693 -15.504 6.641 1.00 0.00 N ATOM 0 H ASN A 44 4.188 -12.169 4.571 1.00 0.00 H new ATOM 0 HA ASN A 44 3.546 -14.747 3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.608 -13.082 6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.333 -14.807 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.581 -15.711 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.048 -16.260 6.414 1.00 0.00 H new ATOM 444 N LYS A 45 0.868 -12.800 4.090 1.00 0.00 N ATOM 445 CA LYS A 45 -0.530 -12.546 3.713 1.00 0.00 C ATOM 446 C LYS A 45 -0.754 -12.339 2.206 1.00 0.00 C ATOM 447 O LYS A 45 -1.687 -12.922 1.658 1.00 0.00 O ATOM 448 CB LYS A 45 -1.013 -11.351 4.533 1.00 0.00 C ATOM 449 CG LYS A 45 -2.468 -11.582 4.928 1.00 0.00 C ATOM 450 CD LYS A 45 -2.845 -10.774 6.174 1.00 0.00 C ATOM 451 CE LYS A 45 -4.245 -11.188 6.655 1.00 0.00 C ATOM 452 NZ LYS A 45 -4.415 -10.823 8.061 1.00 0.00 N ATOM 0 H LYS A 45 1.249 -12.088 4.713 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.116 -13.437 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.395 -11.229 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.921 -10.433 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.120 -11.302 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.631 -12.643 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.114 -10.943 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.828 -9.708 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.007 -10.699 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.379 -12.262 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.414 -10.932 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.828 -11.443 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.125 -9.834 8.200 1.00 0.00 H new ATOM 457 N LEU A 46 0.159 -11.633 1.546 1.00 0.00 N ATOM 458 CA LEU A 46 0.131 -11.362 0.095 1.00 0.00 C ATOM 459 C LEU A 46 0.030 -12.629 -0.767 1.00 0.00 C ATOM 460 O LEU A 46 -0.685 -12.678 -1.760 1.00 0.00 O ATOM 461 CB LEU A 46 1.436 -10.625 -0.197 1.00 0.00 C ATOM 462 CG LEU A 46 1.262 -9.389 -1.081 1.00 0.00 C ATOM 463 CD1 LEU A 46 0.334 -8.317 -0.516 1.00 0.00 C ATOM 464 CD2 LEU A 46 2.664 -8.786 -1.207 1.00 0.00 C ATOM 0 H LEU A 46 0.966 -11.217 2.011 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.757 -10.784 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.892 -10.324 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.130 -11.312 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 46 0.805 -9.701 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.275 -7.482 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.661 -8.738 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.724 -7.965 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.621 -7.892 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.037 -8.522 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.334 -9.514 -1.664 1.00 0.00 H new ATOM 466 N GLN A 47 0.720 -13.682 -0.305 1.00 0.00 N ATOM 467 CA GLN A 47 0.745 -15.001 -0.956 1.00 0.00 C ATOM 468 C GLN A 47 -0.591 -15.778 -0.903 1.00 0.00 C ATOM 469 O GLN A 47 -0.782 -16.710 -1.695 1.00 0.00 O ATOM 470 CB GLN A 47 1.865 -15.855 -0.358 1.00 0.00 C ATOM 471 CG GLN A 47 3.243 -15.330 -0.795 1.00 0.00 C ATOM 472 CD GLN A 47 4.358 -16.034 -0.010 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.940 -17.022 -0.414 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.663 -15.488 1.152 1.00 0.00 N ATOM 0 H GLN A 47 1.285 -13.641 0.544 1.00 0.00 H new ATOM 0 HA GLN A 47 0.926 -14.801 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.795 -15.845 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.748 -16.891 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.381 -15.497 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.298 -14.254 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.163 -14.659 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.399 -15.895 1.729 1.00 0.00 H new ATOM 478 N ALA A 48 -1.552 -15.295 -0.115 1.00 0.00 N ATOM 479 CA ALA A 48 -2.884 -15.923 0.046 1.00 0.00 C ATOM 480 C ALA A 48 -3.866 -15.736 -1.143 1.00 0.00 C ATOM 481 O ALA A 48 -5.040 -16.071 -1.028 1.00 0.00 O ATOM 482 CB ALA A 48 -3.513 -15.408 1.348 1.00 0.00 C ATOM 0 H ALA A 48 -1.436 -14.447 0.440 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.709 -16.998 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.495 -15.861 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.874 -15.672 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.617 -14.324 1.298 1.00 0.00 H new ATOM 484 N GLY A 49 -3.329 -15.332 -2.292 1.00 0.00 N ATOM 485 CA GLY A 49 -4.123 -15.145 -3.528 1.00 0.00 C ATOM 486 C GLY A 49 -4.212 -13.698 -4.044 1.00 0.00 C ATOM 487 O GLY A 49 -5.011 -12.895 -3.574 1.00 0.00 O ATOM 0 H GLY A 49 -2.337 -15.123 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.693 -15.767 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.134 -15.512 -3.349 1.00 0.00 H new ATOM 489 N GLY A 50 -3.293 -13.405 -4.962 1.00 0.00 N ATOM 490 CA GLY A 50 -3.111 -12.147 -5.720 1.00 0.00 C ATOM 491 C GLY A 50 -3.766 -10.837 -5.224 1.00 0.00 C ATOM 492 O GLY A 50 -4.769 -10.381 -5.765 1.00 0.00 O ATOM 0 H GLY A 50 -2.590 -14.096 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.039 -11.965 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.472 -12.325 -6.733 1.00 0.00 H new ATOM 494 N TYR A 51 -3.015 -10.149 -4.375 1.00 0.00 N ATOM 495 CA TYR A 51 -3.418 -8.842 -3.835 1.00 0.00 C ATOM 496 C TYR A 51 -2.942 -7.724 -4.767 1.00 0.00 C ATOM 497 O TYR A 51 -1.803 -7.265 -4.683 1.00 0.00 O ATOM 498 CB TYR A 51 -2.856 -8.632 -2.429 1.00 0.00 C ATOM 499 CG TYR A 51 -3.574 -9.465 -1.365 1.00 0.00 C ATOM 500 CD1 TYR A 51 -3.345 -10.858 -1.309 1.00 0.00 C ATOM 501 CD2 TYR A 51 -4.232 -8.766 -0.333 1.00 0.00 C ATOM 502 CE1 TYR A 51 -3.746 -11.566 -0.158 1.00 0.00 C ATOM 503 CE2 TYR A 51 -4.617 -9.481 0.818 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.341 -10.859 0.907 1.00 0.00 C ATOM 505 OH TYR A 51 -4.439 -11.468 2.113 1.00 0.00 O ATOM 0 H TYR A 51 -2.109 -10.474 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.506 -8.818 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.796 -8.886 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.932 -7.576 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.871 -11.371 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.436 -7.709 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.600 -12.634 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.121 -8.975 1.628 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.716 -12.122 2.209 1.00 0.00 H new ATOM 508 N GLY A 52 -3.907 -7.190 -5.509 1.00 0.00 N ATOM 509 CA GLY A 52 -3.692 -6.128 -6.514 1.00 0.00 C ATOM 510 C GLY A 52 -3.517 -4.716 -5.936 1.00 0.00 C ATOM 511 O GLY A 52 -3.892 -3.753 -6.599 1.00 0.00 O ATOM 0 H GLY A 52 -4.882 -7.481 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.808 -6.377 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.538 -6.121 -7.201 1.00 0.00 H new ATOM 513 N PHE A 53 -3.025 -4.641 -4.702 1.00 0.00 N ATOM 514 CA PHE A 53 -2.753 -3.394 -3.963 1.00 0.00 C ATOM 515 C PHE A 53 -2.156 -3.639 -2.567 1.00 0.00 C ATOM 516 O PHE A 53 -2.652 -4.423 -1.764 1.00 0.00 O ATOM 517 CB PHE A 53 -4.002 -2.534 -3.786 1.00 0.00 C ATOM 518 CG PHE A 53 -3.694 -1.058 -4.044 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.864 -0.338 -3.156 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.143 -0.472 -5.245 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.465 0.968 -3.479 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.749 0.836 -5.576 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.911 1.546 -4.683 1.00 0.00 C ATOM 0 H PHE A 53 -2.793 -5.475 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.025 -2.871 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.780 -2.872 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.392 -2.656 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.538 -0.791 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.789 -1.027 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.823 1.524 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.080 1.292 -6.497 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.607 2.552 -4.930 1.00 0.00 H new ATOM 525 N VAL A 54 -1.080 -2.895 -2.319 1.00 0.00 N ATOM 526 CA VAL A 54 -0.332 -2.909 -1.046 1.00 0.00 C ATOM 527 C VAL A 54 -0.232 -1.458 -0.545 1.00 0.00 C ATOM 528 O VAL A 54 0.343 -0.582 -1.201 1.00 0.00 O ATOM 529 CB VAL A 54 1.067 -3.525 -1.237 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.844 -3.586 0.092 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.997 -4.939 -1.810 1.00 0.00 C ATOM 0 H VAL A 54 -0.689 -2.250 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.851 -3.524 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 54 1.585 -2.874 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.826 -4.026 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.963 -2.578 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.294 -4.197 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.006 -5.334 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.434 -5.579 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.501 -4.914 -2.780 1.00 0.00 H new ATOM 533 N ILE A 55 -0.875 -1.222 0.596 1.00 0.00 N ATOM 534 CA ILE A 55 -0.864 0.085 1.282 1.00 0.00 C ATOM 535 C ILE A 55 0.062 -0.131 2.501 1.00 0.00 C ATOM 536 O ILE A 55 -0.332 -0.777 3.467 1.00 0.00 O ATOM 537 CB ILE A 55 -2.299 0.542 1.622 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.065 0.859 0.333 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.268 1.751 2.577 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.570 1.105 0.523 1.00 0.00 C ATOM 0 H ILE A 55 -1.425 -1.932 1.081 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.484 0.904 0.671 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.821 -0.266 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.622 1.741 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.931 0.033 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.288 2.060 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.757 1.473 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.737 2.576 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.028 1.321 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.032 0.217 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.719 1.952 1.193 1.00 0.00 H new ATOM 542 N SER A 56 1.295 0.339 2.373 1.00 0.00 N ATOM 543 CA SER A 56 2.320 0.134 3.413 1.00 0.00 C ATOM 544 C SER A 56 2.932 1.372 4.055 1.00 0.00 C ATOM 545 O SER A 56 3.257 2.352 3.384 1.00 0.00 O ATOM 546 CB SER A 56 3.435 -0.758 2.859 1.00 0.00 C ATOM 547 OG SER A 56 4.489 -0.942 3.812 1.00 0.00 O ATOM 0 H SER A 56 1.620 0.866 1.563 1.00 0.00 H new ATOM 0 HA SER A 56 1.770 -0.334 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.021 -1.728 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.840 -0.313 1.950 1.00 0.00 H new ATOM 0 HG SER A 56 5.068 -0.151 3.817 1.00 0.00 H new ATOM 550 N ASP A 57 3.001 1.320 5.377 1.00 0.00 N ATOM 551 CA ASP A 57 3.630 2.379 6.178 1.00 0.00 C ATOM 552 C ASP A 57 5.165 2.330 6.053 1.00 0.00 C ATOM 553 O ASP A 57 5.765 1.270 6.199 1.00 0.00 O ATOM 554 CB ASP A 57 3.278 2.265 7.658 1.00 0.00 C ATOM 555 CG ASP A 57 1.963 2.972 8.004 1.00 0.00 C ATOM 556 OD1 ASP A 57 1.867 4.186 7.737 1.00 0.00 O ATOM 557 OD2 ASP A 57 1.136 2.291 8.639 1.00 0.00 O ATOM 0 H ASP A 57 2.626 0.549 5.930 1.00 0.00 H new ATOM 0 HA ASP A 57 3.246 3.321 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.204 1.212 7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.084 2.692 8.254 1.00 0.00 H new ATOM 559 N TRP A 58 5.760 3.502 5.893 1.00 0.00 N ATOM 560 CA TRP A 58 7.224 3.640 5.775 1.00 0.00 C ATOM 561 C TRP A 58 7.943 3.033 6.992 1.00 0.00 C ATOM 562 O TRP A 58 8.732 2.096 6.863 1.00 0.00 O ATOM 563 CB TRP A 58 7.591 5.121 5.611 1.00 0.00 C ATOM 564 CG TRP A 58 8.958 5.286 4.937 1.00 0.00 C ATOM 565 CD1 TRP A 58 10.134 5.429 5.550 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.199 5.298 3.568 1.00 0.00 C ATOM 567 NE1 TRP A 58 11.104 5.567 4.643 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.590 5.470 3.418 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.373 5.094 2.449 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.181 5.420 2.129 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.964 5.014 1.178 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.361 5.168 1.021 1.00 0.00 C ATOM 0 H TRP A 58 5.255 4.387 5.840 1.00 0.00 H new ATOM 0 HA TRP A 58 7.554 3.090 4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.828 5.623 5.017 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.604 5.605 6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.280 5.433 6.620 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.089 5.723 4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.303 5.001 2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.243 5.573 2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.345 4.833 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.800 5.091 0.037 1.00 0.00 H new ATOM 575 N ASN A 59 7.468 3.420 8.175 1.00 0.00 N ATOM 576 CA ASN A 59 7.991 2.938 9.455 1.00 0.00 C ATOM 577 C ASN A 59 7.193 1.704 9.923 1.00 0.00 C ATOM 578 O ASN A 59 6.023 1.824 10.286 1.00 0.00 O ATOM 579 CB ASN A 59 7.927 4.054 10.512 1.00 0.00 C ATOM 580 CG ASN A 59 8.424 3.596 11.885 1.00 0.00 C ATOM 581 OD1 ASN A 59 9.563 3.179 12.061 1.00 0.00 O ATOM 582 ND2 ASN A 59 7.541 3.542 12.849 1.00 0.00 N ATOM 0 H ASN A 59 6.701 4.085 8.274 1.00 0.00 H new ATOM 0 HA ASN A 59 9.033 2.648 9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.526 4.901 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.899 4.406 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.798 3.151 13.755 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.595 3.891 12.694 1.00 0.00 H new ATOM 586 N MET A 60 7.797 0.537 9.712 1.00 0.00 N ATOM 587 CA MET A 60 7.217 -0.762 10.126 1.00 0.00 C ATOM 588 C MET A 60 8.285 -1.628 10.827 1.00 0.00 C ATOM 589 O MET A 60 9.386 -1.769 10.288 1.00 0.00 O ATOM 590 CB MET A 60 6.625 -1.525 8.937 1.00 0.00 C ATOM 591 CG MET A 60 5.353 -0.866 8.399 1.00 0.00 C ATOM 592 SD MET A 60 4.417 -1.847 7.170 1.00 0.00 S ATOM 593 CE MET A 60 5.703 -2.480 6.115 1.00 0.00 C ATOM 0 H MET A 60 8.703 0.453 9.250 1.00 0.00 H new ATOM 0 HA MET A 60 6.408 -0.550 10.825 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.366 -1.583 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.401 -2.548 9.240 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.695 -0.646 9.240 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.622 0.089 7.947 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.265 -2.844 5.186 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.416 -1.686 5.893 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.217 -3.298 6.619 1.00 0.00 H new ATOM 595 N PRO A 61 8.015 -2.100 12.058 1.00 0.00 N ATOM 596 CA PRO A 61 8.940 -2.943 12.840 1.00 0.00 C ATOM 597 C PRO A 61 9.354 -4.200 12.063 1.00 0.00 C ATOM 598 O PRO A 61 8.591 -4.693 11.222 1.00 0.00 O ATOM 599 CB PRO A 61 8.160 -3.323 14.098 1.00 0.00 C ATOM 600 CG PRO A 61 7.223 -2.134 14.295 1.00 0.00 C ATOM 601 CD PRO A 61 6.827 -1.756 12.868 1.00 0.00 C ATOM 0 HA PRO A 61 9.865 -2.413 13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.608 -4.254 13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.819 -3.463 14.955 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.354 -2.402 14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.721 -1.310 14.806 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.947 -2.309 12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.585 -0.696 12.789 1.00 0.00 H new ATOM 602 N ASN A 62 10.559 -4.673 12.355 1.00 0.00 N ATOM 603 CA ASN A 62 11.215 -5.847 11.740 1.00 0.00 C ATOM 604 C ASN A 62 11.625 -5.565 10.278 1.00 0.00 C ATOM 605 O ASN A 62 12.812 -5.358 10.012 1.00 0.00 O ATOM 606 CB ASN A 62 10.381 -7.140 11.896 1.00 0.00 C ATOM 607 CG ASN A 62 11.062 -8.362 11.281 1.00 0.00 C ATOM 608 OD1 ASN A 62 10.620 -8.875 10.269 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.180 -8.793 11.826 1.00 0.00 N ATOM 0 H ASN A 62 11.146 -4.233 13.064 1.00 0.00 H new ATOM 0 HA ASN A 62 12.137 -6.027 12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.201 -7.325 12.955 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.407 -6.998 11.427 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.689 -9.567 11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.537 -8.352 12.674 1.00 0.00 H new ATOM 613 N MET A 63 10.638 -5.441 9.392 1.00 0.00 N ATOM 614 CA MET A 63 10.873 -5.141 7.971 1.00 0.00 C ATOM 615 C MET A 63 10.016 -3.920 7.598 1.00 0.00 C ATOM 616 O MET A 63 8.788 -3.945 7.708 1.00 0.00 O ATOM 617 CB MET A 63 10.531 -6.374 7.137 1.00 0.00 C ATOM 618 CG MET A 63 11.372 -6.415 5.859 1.00 0.00 C ATOM 619 SD MET A 63 11.139 -7.928 4.856 1.00 0.00 S ATOM 620 CE MET A 63 9.681 -7.487 3.942 1.00 0.00 C ATOM 0 H MET A 63 9.652 -5.545 9.633 1.00 0.00 H new ATOM 0 HA MET A 63 11.918 -4.900 7.774 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.708 -7.276 7.723 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.472 -6.363 6.881 1.00 0.00 H new ATOM 0 HG2 MET A 63 11.127 -5.546 5.248 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.425 -6.329 6.127 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.954 -8.297 4.003 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.249 -6.579 4.363 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.944 -7.314 2.899 1.00 0.00 H new ATOM 622 N ASP A 64 10.717 -2.815 7.383 1.00 0.00 N ATOM 623 CA ASP A 64 10.110 -1.507 7.024 1.00 0.00 C ATOM 624 C ASP A 64 9.404 -1.491 5.666 1.00 0.00 C ATOM 625 O ASP A 64 9.741 -2.284 4.783 1.00 0.00 O ATOM 626 CB ASP A 64 11.146 -0.367 7.142 1.00 0.00 C ATOM 627 CG ASP A 64 12.286 -0.424 6.128 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.979 -0.303 4.920 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.446 -0.566 6.568 1.00 0.00 O ATOM 0 H ASP A 64 11.734 -2.784 7.450 1.00 0.00 H new ATOM 0 HA ASP A 64 9.318 -1.338 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.629 0.586 7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.571 -0.385 8.146 1.00 0.00 H new ATOM 631 N GLY A 65 8.630 -0.422 5.439 1.00 0.00 N ATOM 632 CA GLY A 65 7.838 -0.213 4.206 1.00 0.00 C ATOM 633 C GLY A 65 8.649 -0.289 2.905 1.00 0.00 C ATOM 634 O GLY A 65 8.274 -1.020 1.991 1.00 0.00 O ATOM 0 H GLY A 65 8.531 0.337 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.045 -0.960 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.355 0.763 4.261 1.00 0.00 H new ATOM 636 N LEU A 66 9.773 0.419 2.854 1.00 0.00 N ATOM 637 CA LEU A 66 10.665 0.425 1.672 1.00 0.00 C ATOM 638 C LEU A 66 11.228 -0.975 1.361 1.00 0.00 C ATOM 639 O LEU A 66 11.206 -1.410 0.208 1.00 0.00 O ATOM 640 CB LEU A 66 11.738 1.497 1.910 1.00 0.00 C ATOM 641 CG LEU A 66 12.663 1.679 0.705 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.942 2.131 -0.576 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.724 2.730 1.018 1.00 0.00 C ATOM 0 H LEU A 66 10.101 1.006 3.621 1.00 0.00 H new ATOM 0 HA LEU A 66 10.110 0.683 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.254 2.446 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.332 1.224 2.782 1.00 0.00 H new ATOM 0 HG LEU A 66 13.094 0.695 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.667 2.237 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.195 1.388 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.453 3.089 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.379 2.854 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.240 3.680 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.313 2.408 1.877 1.00 0.00 H new ATOM 645 N GLU A 67 11.591 -1.720 2.407 1.00 0.00 N ATOM 646 CA GLU A 67 12.079 -3.119 2.263 1.00 0.00 C ATOM 647 C GLU A 67 10.962 -4.005 1.680 1.00 0.00 C ATOM 648 O GLU A 67 11.184 -4.736 0.714 1.00 0.00 O ATOM 649 CB GLU A 67 12.529 -3.705 3.607 1.00 0.00 C ATOM 650 CG GLU A 67 13.836 -3.102 4.126 1.00 0.00 C ATOM 651 CD GLU A 67 14.157 -3.681 5.516 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.434 -3.304 6.458 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.057 -4.550 5.592 1.00 0.00 O ATOM 0 H GLU A 67 11.561 -1.389 3.371 1.00 0.00 H new ATOM 0 HA GLU A 67 12.937 -3.099 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.744 -3.544 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.651 -4.783 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.649 -3.320 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.750 -2.017 4.184 1.00 0.00 H new ATOM 655 N LEU A 68 9.737 -3.788 2.179 1.00 0.00 N ATOM 656 CA LEU A 68 8.516 -4.497 1.718 1.00 0.00 C ATOM 657 C LEU A 68 8.254 -4.229 0.222 1.00 0.00 C ATOM 658 O LEU A 68 8.068 -5.162 -0.560 1.00 0.00 O ATOM 659 CB LEU A 68 7.308 -4.103 2.586 1.00 0.00 C ATOM 660 CG LEU A 68 6.008 -4.746 2.090 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.033 -6.275 2.214 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.822 -4.176 2.869 1.00 0.00 C ATOM 0 H LEU A 68 9.555 -3.112 2.920 1.00 0.00 H new ATOM 0 HA LEU A 68 8.673 -5.570 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.490 -4.404 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.199 -3.018 2.584 1.00 0.00 H new ATOM 0 HG LEU A 68 5.905 -4.509 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.091 -6.685 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.856 -6.675 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.170 -6.553 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.899 -4.635 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.948 -4.388 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.772 -3.098 2.718 1.00 0.00 H new ATOM 664 N LEU A 69 8.280 -2.947 -0.146 1.00 0.00 N ATOM 665 CA LEU A 69 8.124 -2.455 -1.524 1.00 0.00 C ATOM 666 C LEU A 69 9.024 -3.288 -2.469 1.00 0.00 C ATOM 667 O LEU A 69 8.520 -4.012 -3.336 1.00 0.00 O ATOM 668 CB LEU A 69 8.572 -0.983 -1.452 1.00 0.00 C ATOM 669 CG LEU A 69 8.147 -0.052 -2.593 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.635 1.345 -2.238 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.693 -0.484 -3.948 1.00 0.00 C ATOM 0 H LEU A 69 8.415 -2.193 0.528 1.00 0.00 H new ATOM 0 HA LEU A 69 7.109 -2.541 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.196 -0.563 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.660 -0.966 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 69 7.062 -0.083 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.352 2.041 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.183 1.660 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.720 1.336 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.358 0.214 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.782 -0.492 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.330 -1.484 -4.184 1.00 0.00 H new ATOM 673 N LYS A 70 10.293 -3.391 -2.066 1.00 0.00 N ATOM 674 CA LYS A 70 11.341 -4.154 -2.781 1.00 0.00 C ATOM 675 C LYS A 70 11.057 -5.666 -2.843 1.00 0.00 C ATOM 676 O LYS A 70 11.104 -6.252 -3.924 1.00 0.00 O ATOM 677 CB LYS A 70 12.699 -3.890 -2.153 1.00 0.00 C ATOM 678 CG LYS A 70 13.137 -2.439 -2.354 1.00 0.00 C ATOM 679 CD LYS A 70 14.531 -2.186 -1.786 1.00 0.00 C ATOM 680 CE LYS A 70 15.046 -0.771 -2.090 1.00 0.00 C ATOM 681 NZ LYS A 70 15.193 -0.576 -3.546 1.00 0.00 N ATOM 0 H LYS A 70 10.636 -2.940 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 70 11.339 -3.801 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.658 -4.114 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.440 -4.559 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.129 -2.200 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.421 -1.773 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.512 -2.338 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.226 -2.918 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.355 -0.031 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.005 -0.613 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.683 0.323 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.747 -1.359 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.253 -0.554 -3.990 1.00 0.00 H new ATOM 686 N THR A 71 10.676 -6.261 -1.708 1.00 0.00 N ATOM 687 CA THR A 71 10.341 -7.712 -1.595 1.00 0.00 C ATOM 688 C THR A 71 9.187 -8.133 -2.512 1.00 0.00 C ATOM 689 O THR A 71 9.078 -9.304 -2.849 1.00 0.00 O ATOM 690 CB THR A 71 10.212 -8.165 -0.150 1.00 0.00 C ATOM 691 OG1 THR A 71 9.262 -7.387 0.577 1.00 0.00 O ATOM 692 CG2 THR A 71 11.576 -8.165 0.558 1.00 0.00 C ATOM 0 H THR A 71 10.586 -5.757 -0.826 1.00 0.00 H new ATOM 0 HA THR A 71 11.196 -8.268 -1.981 1.00 0.00 H new ATOM 0 HB THR A 71 9.840 -9.189 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.915 -6.673 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.450 -8.494 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.254 -8.844 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.992 -7.158 0.546 1.00 0.00 H new ATOM 695 N ILE A 72 8.324 -7.181 -2.860 1.00 0.00 N ATOM 696 CA ILE A 72 7.200 -7.403 -3.807 1.00 0.00 C ATOM 697 C ILE A 72 7.727 -7.248 -5.246 1.00 0.00 C ATOM 698 O ILE A 72 7.806 -8.228 -5.976 1.00 0.00 O ATOM 699 CB ILE A 72 6.021 -6.436 -3.558 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.589 -6.451 -2.082 1.00 0.00 C ATOM 701 CG2 ILE A 72 4.834 -6.812 -4.446 1.00 0.00 C ATOM 702 CD1 ILE A 72 4.902 -5.155 -1.664 1.00 0.00 C ATOM 0 H ILE A 72 8.372 -6.228 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 72 6.814 -8.410 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 72 6.357 -5.429 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.912 -7.289 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.463 -6.615 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.009 -6.124 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.130 -6.752 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.516 -7.829 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.617 -5.217 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.586 -4.318 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.011 -5.002 -2.273 1.00 0.00 H new ATOM 704 N ARG A 73 8.289 -6.063 -5.526 1.00 0.00 N ATOM 705 CA ARG A 73 8.869 -5.662 -6.833 1.00 0.00 C ATOM 706 C ARG A 73 9.853 -6.702 -7.403 1.00 0.00 C ATOM 707 O ARG A 73 9.703 -7.148 -8.550 1.00 0.00 O ATOM 708 CB ARG A 73 9.504 -4.276 -6.729 1.00 0.00 C ATOM 709 CG ARG A 73 8.415 -3.197 -6.695 1.00 0.00 C ATOM 710 CD ARG A 73 7.664 -3.117 -8.025 1.00 0.00 C ATOM 711 NE ARG A 73 6.407 -2.374 -7.840 1.00 0.00 N ATOM 712 CZ ARG A 73 5.415 -2.263 -8.726 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.556 -2.610 -10.002 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.292 -1.654 -8.374 1.00 0.00 N ATOM 0 H ARG A 73 8.359 -5.324 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 73 8.048 -5.615 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.116 -4.215 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.167 -4.107 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.712 -3.414 -5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.866 -2.230 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.283 -2.623 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.454 -4.120 -8.396 1.00 0.00 H new ATOM 0 HE ARG A 73 6.282 -1.897 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.448 -2.977 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.773 -2.510 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.191 -1.275 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.529 -1.565 -9.045 1.00 0.00 H new ATOM 721 N ALA A 74 10.756 -7.175 -6.552 1.00 0.00 N ATOM 722 CA ALA A 74 11.783 -8.194 -6.881 1.00 0.00 C ATOM 723 C ALA A 74 11.276 -9.643 -6.947 1.00 0.00 C ATOM 724 O ALA A 74 11.902 -10.495 -7.580 1.00 0.00 O ATOM 725 CB ALA A 74 12.932 -8.077 -5.873 1.00 0.00 C ATOM 0 H ALA A 74 10.807 -6.860 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 74 12.114 -7.976 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.695 -8.821 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.368 -7.080 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.551 -8.247 -4.866 1.00 0.00 H new ATOM 727 N ASP A 75 10.115 -9.923 -6.352 1.00 0.00 N ATOM 728 CA ASP A 75 9.541 -11.278 -6.310 1.00 0.00 C ATOM 729 C ASP A 75 8.792 -11.576 -7.615 1.00 0.00 C ATOM 730 O ASP A 75 7.616 -11.234 -7.745 1.00 0.00 O ATOM 731 CB ASP A 75 8.626 -11.417 -5.091 1.00 0.00 C ATOM 732 CG ASP A 75 8.089 -12.838 -4.905 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.176 -13.215 -5.679 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.663 -13.555 -4.046 1.00 0.00 O ATOM 0 H ASP A 75 9.543 -9.220 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 75 10.343 -12.010 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.174 -11.122 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.787 -10.728 -5.193 1.00 0.00 H new ATOM 736 N GLY A 76 9.504 -12.221 -8.539 1.00 0.00 N ATOM 737 CA GLY A 76 9.036 -12.661 -9.879 1.00 0.00 C ATOM 738 C GLY A 76 7.506 -12.807 -10.055 1.00 0.00 C ATOM 739 O GLY A 76 6.898 -12.039 -10.787 1.00 0.00 O ATOM 0 H GLY A 76 10.479 -12.471 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.399 -11.949 -10.620 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.500 -13.621 -10.106 1.00 0.00 H new ATOM 741 N ALA A 77 6.925 -13.719 -9.282 1.00 0.00 N ATOM 742 CA ALA A 77 5.476 -14.024 -9.300 1.00 0.00 C ATOM 743 C ALA A 77 4.546 -12.837 -8.976 1.00 0.00 C ATOM 744 O ALA A 77 3.573 -12.609 -9.685 1.00 0.00 O ATOM 745 CB ALA A 77 5.199 -15.187 -8.346 1.00 0.00 C ATOM 0 H ALA A 77 7.446 -14.283 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 77 5.239 -14.286 -10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.134 -15.418 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.762 -16.063 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.503 -14.910 -7.337 1.00 0.00 H new ATOM 747 N MET A 78 4.873 -12.086 -7.921 1.00 0.00 N ATOM 748 CA MET A 78 4.097 -10.934 -7.437 1.00 0.00 C ATOM 749 C MET A 78 4.428 -9.568 -8.089 1.00 0.00 C ATOM 750 O MET A 78 3.558 -8.720 -8.200 1.00 0.00 O ATOM 751 CB MET A 78 4.241 -10.768 -5.920 1.00 0.00 C ATOM 752 CG MET A 78 3.793 -11.988 -5.108 1.00 0.00 C ATOM 753 SD MET A 78 3.656 -11.686 -3.305 1.00 0.00 S ATOM 754 CE MET A 78 5.272 -11.049 -2.878 1.00 0.00 C ATOM 0 H MET A 78 5.707 -12.265 -7.362 1.00 0.00 H new ATOM 0 HA MET A 78 3.078 -11.186 -7.730 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.284 -10.554 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.659 -9.902 -5.604 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.826 -12.324 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.500 -12.801 -5.276 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.571 -11.438 -1.905 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.996 -11.360 -3.631 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.235 -9.960 -2.838 1.00 0.00 H new ATOM 756 N SER A 79 5.695 -9.367 -8.419 1.00 0.00 N ATOM 757 CA SER A 79 6.336 -8.170 -9.010 1.00 0.00 C ATOM 758 C SER A 79 5.532 -6.880 -9.285 1.00 0.00 C ATOM 759 O SER A 79 5.686 -5.906 -8.546 1.00 0.00 O ATOM 760 CB SER A 79 7.146 -8.561 -10.248 1.00 0.00 C ATOM 761 OG SER A 79 7.992 -7.486 -10.644 1.00 0.00 O ATOM 0 H SER A 79 6.382 -10.106 -8.270 1.00 0.00 H new ATOM 0 HA SER A 79 6.944 -7.842 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.746 -9.445 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.472 -8.823 -11.064 1.00 0.00 H new ATOM 0 HG SER A 79 8.728 -7.395 -10.003 1.00 0.00 H new ATOM 764 N ALA A 80 4.508 -6.960 -10.138 1.00 0.00 N ATOM 765 CA ALA A 80 3.685 -5.801 -10.580 1.00 0.00 C ATOM 766 C ALA A 80 2.536 -5.314 -9.672 1.00 0.00 C ATOM 767 O ALA A 80 1.685 -4.547 -10.109 1.00 0.00 O ATOM 768 CB ALA A 80 3.179 -6.139 -11.985 1.00 0.00 C ATOM 0 H ALA A 80 4.212 -7.842 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 80 4.346 -4.935 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.567 -5.318 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.028 -6.290 -12.651 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.581 -7.050 -11.947 1.00 0.00 H new ATOM 770 N LEU A 81 2.630 -5.574 -8.368 1.00 0.00 N ATOM 771 CA LEU A 81 1.572 -5.165 -7.413 1.00 0.00 C ATOM 772 C LEU A 81 1.712 -3.695 -6.958 1.00 0.00 C ATOM 773 O LEU A 81 2.691 -3.366 -6.294 1.00 0.00 O ATOM 774 CB LEU A 81 1.486 -6.074 -6.175 1.00 0.00 C ATOM 775 CG LEU A 81 1.216 -7.547 -6.501 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.236 -8.372 -5.218 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.090 -7.771 -7.275 1.00 0.00 C ATOM 0 H LEU A 81 3.417 -6.062 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 81 0.645 -5.270 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.420 -6.001 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.695 -5.706 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 81 2.015 -7.878 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.044 -9.418 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.213 -8.281 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.466 -8.007 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.218 -8.835 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.930 -7.408 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.050 -7.229 -8.220 1.00 0.00 H new ATOM 779 N PRO A 82 0.706 -2.850 -7.234 1.00 0.00 N ATOM 780 CA PRO A 82 0.714 -1.424 -6.859 1.00 0.00 C ATOM 781 C PRO A 82 0.988 -1.181 -5.374 1.00 0.00 C ATOM 782 O PRO A 82 0.310 -1.707 -4.493 1.00 0.00 O ATOM 783 CB PRO A 82 -0.633 -0.852 -7.295 1.00 0.00 C ATOM 784 CG PRO A 82 -1.501 -2.062 -7.615 1.00 0.00 C ATOM 785 CD PRO A 82 -0.524 -3.179 -7.992 1.00 0.00 C ATOM 0 HA PRO A 82 1.539 -0.919 -7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.078 -0.247 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.522 -0.206 -8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.110 -2.346 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.187 -1.847 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.913 -4.159 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.337 -3.201 -9.066 1.00 0.00 H new ATOM 786 N VAL A 83 1.966 -0.309 -5.160 1.00 0.00 N ATOM 787 CA VAL A 83 2.449 0.042 -3.810 1.00 0.00 C ATOM 788 C VAL A 83 2.214 1.523 -3.463 1.00 0.00 C ATOM 789 O VAL A 83 2.751 2.430 -4.089 1.00 0.00 O ATOM 790 CB VAL A 83 3.961 -0.276 -3.635 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.318 -0.300 -2.143 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.392 -1.641 -4.204 1.00 0.00 C ATOM 0 H VAL A 83 2.453 0.180 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 83 1.865 -0.574 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 83 4.479 0.509 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.378 -0.523 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.101 0.673 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.728 -1.066 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.460 -1.783 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.839 -2.435 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.182 -1.672 -5.273 1.00 0.00 H new ATOM 794 N LEU A 84 1.439 1.699 -2.394 1.00 0.00 N ATOM 795 CA LEU A 84 1.121 3.021 -1.821 1.00 0.00 C ATOM 796 C LEU A 84 1.862 3.172 -0.490 1.00 0.00 C ATOM 797 O LEU A 84 1.638 2.421 0.458 1.00 0.00 O ATOM 798 CB LEU A 84 -0.396 3.189 -1.613 1.00 0.00 C ATOM 799 CG LEU A 84 -0.784 4.554 -1.036 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.552 5.694 -2.026 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.255 4.541 -0.639 1.00 0.00 C ATOM 0 H LEU A 84 1.006 0.925 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 84 1.443 3.797 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.904 3.049 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.752 2.406 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.148 4.728 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.843 6.639 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.503 5.732 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.150 5.526 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.530 5.513 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.867 4.332 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.422 3.769 0.112 1.00 0.00 H new ATOM 803 N MET A 85 2.856 4.045 -0.526 1.00 0.00 N ATOM 804 CA MET A 85 3.714 4.339 0.650 1.00 0.00 C ATOM 805 C MET A 85 3.179 5.424 1.567 1.00 0.00 C ATOM 806 O MET A 85 3.116 6.605 1.237 1.00 0.00 O ATOM 807 CB MET A 85 5.157 4.564 0.202 1.00 0.00 C ATOM 808 CG MET A 85 5.778 3.283 -0.398 1.00 0.00 C ATOM 809 SD MET A 85 5.539 1.740 0.558 1.00 0.00 S ATOM 810 CE MET A 85 6.324 2.138 2.098 1.00 0.00 C ATOM 0 H MET A 85 3.104 4.577 -1.360 1.00 0.00 H new ATOM 0 HA MET A 85 3.695 3.456 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.187 5.364 -0.538 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.754 4.894 1.052 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.362 3.136 -1.395 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.849 3.447 -0.521 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.002 1.433 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.406 2.077 1.981 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.047 3.149 2.397 1.00 0.00 H new ATOM 812 N VAL A 86 2.813 4.970 2.755 1.00 0.00 N ATOM 813 CA VAL A 86 2.280 5.864 3.791 1.00 0.00 C ATOM 814 C VAL A 86 3.438 6.327 4.666 1.00 0.00 C ATOM 815 O VAL A 86 3.969 5.627 5.531 1.00 0.00 O ATOM 816 CB VAL A 86 1.159 5.281 4.653 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.420 6.451 5.296 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.129 4.455 3.871 1.00 0.00 C ATOM 0 H VAL A 86 2.872 3.990 3.033 1.00 0.00 H new ATOM 0 HA VAL A 86 1.807 6.695 3.267 1.00 0.00 H new ATOM 0 HB VAL A 86 1.626 4.608 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.389 6.072 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.113 7.026 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.007 7.093 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.631 4.078 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.343 5.083 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.628 3.616 3.386 1.00 0.00 H new ATOM 820 N THR A 87 3.807 7.556 4.371 1.00 0.00 N ATOM 821 CA THR A 87 4.929 8.270 5.028 1.00 0.00 C ATOM 822 C THR A 87 4.385 9.478 5.793 1.00 0.00 C ATOM 823 O THR A 87 3.589 10.249 5.275 1.00 0.00 O ATOM 824 CB THR A 87 6.051 8.599 4.011 1.00 0.00 C ATOM 825 OG1 THR A 87 7.008 9.488 4.600 1.00 0.00 O ATOM 826 CG2 THR A 87 5.565 9.022 2.625 1.00 0.00 C ATOM 0 H THR A 87 3.339 8.114 3.657 1.00 0.00 H new ATOM 0 HA THR A 87 5.408 7.628 5.767 1.00 0.00 H new ATOM 0 HB THR A 87 6.563 7.662 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.766 10.414 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.423 9.231 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.973 8.219 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.952 9.919 2.713 1.00 0.00 H new ATOM 829 N ALA A 88 4.810 9.573 7.062 1.00 0.00 N ATOM 830 CA ALA A 88 4.397 10.643 8.007 1.00 0.00 C ATOM 831 C ALA A 88 4.448 12.061 7.421 1.00 0.00 C ATOM 832 O ALA A 88 3.556 12.885 7.643 1.00 0.00 O ATOM 833 CB ALA A 88 5.261 10.559 9.265 1.00 0.00 C ATOM 0 H ALA A 88 5.460 8.903 7.475 1.00 0.00 H new ATOM 0 HA ALA A 88 3.347 10.465 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.964 11.341 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.127 9.584 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.309 10.692 8.996 1.00 0.00 H new ATOM 835 N GLU A 89 5.499 12.313 6.663 1.00 0.00 N ATOM 836 CA GLU A 89 5.717 13.591 5.970 1.00 0.00 C ATOM 837 C GLU A 89 6.327 13.277 4.597 1.00 0.00 C ATOM 838 O GLU A 89 6.927 12.212 4.407 1.00 0.00 O ATOM 839 CB GLU A 89 6.636 14.458 6.842 1.00 0.00 C ATOM 840 CG GLU A 89 6.884 15.880 6.324 1.00 0.00 C ATOM 841 CD GLU A 89 5.600 16.714 6.220 1.00 0.00 C ATOM 842 OE1 GLU A 89 4.971 16.640 5.131 1.00 0.00 O ATOM 843 OE2 GLU A 89 5.311 17.433 7.191 1.00 0.00 O ATOM 0 H GLU A 89 6.242 11.633 6.502 1.00 0.00 H new ATOM 0 HA GLU A 89 4.792 14.146 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.205 14.523 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.597 13.953 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.586 16.385 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.356 15.826 5.343 1.00 0.00 H new ATOM 845 N ALA A 90 6.012 14.122 3.622 1.00 0.00 N ATOM 846 CA ALA A 90 6.586 13.991 2.269 1.00 0.00 C ATOM 847 C ALA A 90 8.022 14.538 2.315 1.00 0.00 C ATOM 848 O ALA A 90 8.280 15.735 2.299 1.00 0.00 O ATOM 849 CB ALA A 90 5.707 14.717 1.245 1.00 0.00 C ATOM 0 H ALA A 90 5.367 14.904 3.732 1.00 0.00 H new ATOM 0 HA ALA A 90 6.618 12.948 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.143 14.612 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.707 14.282 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.644 15.774 1.504 1.00 0.00 H new ATOM 851 N LYS A 91 8.873 13.611 2.758 1.00 0.00 N ATOM 852 CA LYS A 91 10.317 13.816 2.975 1.00 0.00 C ATOM 853 C LYS A 91 11.080 13.411 1.704 1.00 0.00 C ATOM 854 O LYS A 91 11.080 12.248 1.324 1.00 0.00 O ATOM 855 CB LYS A 91 10.776 12.911 4.135 1.00 0.00 C ATOM 856 CG LYS A 91 10.045 13.117 5.457 1.00 0.00 C ATOM 857 CD LYS A 91 10.406 11.988 6.422 1.00 0.00 C ATOM 858 CE LYS A 91 9.567 12.051 7.702 1.00 0.00 C ATOM 859 NZ LYS A 91 9.957 10.958 8.596 1.00 0.00 N ATOM 0 H LYS A 91 8.572 12.663 2.985 1.00 0.00 H new ATOM 0 HA LYS A 91 10.513 14.862 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.655 11.871 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.841 13.073 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.318 14.080 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.968 13.136 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.252 11.027 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.464 12.050 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.713 13.010 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.507 11.976 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.388 11.000 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.796 10.047 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.964 11.050 8.837 1.00 0.00 H new ATOM 864 N LYS A 92 11.669 14.403 1.048 1.00 0.00 N ATOM 865 CA LYS A 92 12.444 14.222 -0.213 1.00 0.00 C ATOM 866 C LYS A 92 13.245 12.929 -0.368 1.00 0.00 C ATOM 867 O LYS A 92 12.954 12.157 -1.282 1.00 0.00 O ATOM 868 CB LYS A 92 13.291 15.471 -0.505 1.00 0.00 C ATOM 869 CG LYS A 92 12.418 16.669 -0.861 1.00 0.00 C ATOM 870 CD LYS A 92 11.646 16.441 -2.162 1.00 0.00 C ATOM 871 CE LYS A 92 10.589 17.513 -2.402 1.00 0.00 C ATOM 872 NZ LYS A 92 9.885 17.208 -3.652 1.00 0.00 N ATOM 0 H LYS A 92 11.633 15.372 1.364 1.00 0.00 H new ATOM 0 HA LYS A 92 11.677 14.100 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.901 15.710 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.977 15.263 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.715 16.861 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.042 17.557 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.344 16.428 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.167 15.462 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.886 17.543 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.055 18.497 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.160 17.933 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.564 17.199 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.431 16.275 -3.576 1.00 0.00 H new ATOM 877 N GLU A 93 14.147 12.621 0.575 1.00 0.00 N ATOM 878 CA GLU A 93 14.936 11.370 0.532 1.00 0.00 C ATOM 879 C GLU A 93 14.068 10.091 0.450 1.00 0.00 C ATOM 880 O GLU A 93 14.250 9.295 -0.468 1.00 0.00 O ATOM 881 CB GLU A 93 16.043 11.286 1.589 1.00 0.00 C ATOM 882 CG GLU A 93 15.757 11.863 2.987 1.00 0.00 C ATOM 883 CD GLU A 93 14.653 11.139 3.764 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.990 10.162 4.461 1.00 0.00 O ATOM 885 OE2 GLU A 93 13.502 11.592 3.602 1.00 0.00 O ATOM 0 H GLU A 93 14.352 13.216 1.377 1.00 0.00 H new ATOM 0 HA GLU A 93 15.467 11.421 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.309 10.236 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.922 11.794 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.676 11.832 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.481 12.912 2.883 1.00 0.00 H new ATOM 887 N ASN A 94 12.994 10.056 1.238 1.00 0.00 N ATOM 888 CA ASN A 94 12.003 8.953 1.265 1.00 0.00 C ATOM 889 C ASN A 94 11.305 8.828 -0.100 1.00 0.00 C ATOM 890 O ASN A 94 11.320 7.759 -0.711 1.00 0.00 O ATOM 891 CB ASN A 94 10.891 9.213 2.299 1.00 0.00 C ATOM 892 CG ASN A 94 11.225 8.884 3.750 1.00 0.00 C ATOM 893 OD1 ASN A 94 12.357 8.667 4.158 1.00 0.00 O ATOM 894 ND2 ASN A 94 10.195 8.787 4.560 1.00 0.00 N ATOM 0 H ASN A 94 12.774 10.805 1.894 1.00 0.00 H new ATOM 0 HA ASN A 94 12.555 8.048 1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.611 10.265 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.014 8.634 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.337 8.529 5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.254 8.970 4.212 1.00 0.00 H new ATOM 898 N ILE A 95 10.863 9.971 -0.617 1.00 0.00 N ATOM 899 CA ILE A 95 10.149 10.101 -1.901 1.00 0.00 C ATOM 900 C ILE A 95 10.966 9.559 -3.088 1.00 0.00 C ATOM 901 O ILE A 95 10.487 8.674 -3.809 1.00 0.00 O ATOM 902 CB ILE A 95 9.709 11.575 -2.085 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.865 12.112 -0.906 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.022 11.867 -3.416 1.00 0.00 C ATOM 905 CD1 ILE A 95 7.744 11.204 -0.391 1.00 0.00 C ATOM 0 H ILE A 95 10.992 10.866 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 95 9.256 9.476 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 95 10.652 12.122 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.538 12.326 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.422 13.061 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.748 12.921 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.702 11.634 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.125 11.255 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.229 11.695 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.036 11.008 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.169 10.262 -0.045 1.00 0.00 H new ATOM 907 N ILE A 96 12.224 9.983 -3.192 1.00 0.00 N ATOM 908 CA ILE A 96 13.143 9.538 -4.257 1.00 0.00 C ATOM 909 C ILE A 96 13.336 8.008 -4.192 1.00 0.00 C ATOM 910 O ILE A 96 12.937 7.308 -5.121 1.00 0.00 O ATOM 911 CB ILE A 96 14.466 10.328 -4.180 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.193 11.842 -4.270 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.409 9.921 -5.326 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.302 12.709 -3.674 1.00 0.00 C ATOM 0 H ILE A 96 12.643 10.647 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 96 12.711 9.751 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 96 14.938 10.097 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.055 12.115 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.257 12.063 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.336 10.490 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.630 8.856 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.930 10.129 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.036 13.761 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.426 12.466 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.236 12.519 -4.202 1.00 0.00 H new ATOM 916 N ALA A 97 13.660 7.515 -2.992 1.00 0.00 N ATOM 917 CA ALA A 97 13.855 6.073 -2.720 1.00 0.00 C ATOM 918 C ALA A 97 12.608 5.243 -3.092 1.00 0.00 C ATOM 919 O ALA A 97 12.690 4.297 -3.878 1.00 0.00 O ATOM 920 CB ALA A 97 14.193 5.889 -1.234 1.00 0.00 C ATOM 0 H ALA A 97 13.797 8.104 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 97 14.676 5.712 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.339 4.830 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.106 6.435 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.374 6.271 -0.625 1.00 0.00 H new ATOM 922 N ALA A 98 11.446 5.744 -2.664 1.00 0.00 N ATOM 923 CA ALA A 98 10.118 5.150 -2.906 1.00 0.00 C ATOM 924 C ALA A 98 9.858 4.893 -4.403 1.00 0.00 C ATOM 925 O ALA A 98 9.740 3.743 -4.826 1.00 0.00 O ATOM 926 CB ALA A 98 9.053 6.066 -2.284 1.00 0.00 C ATOM 0 H ALA A 98 11.397 6.605 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 98 10.073 4.170 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.064 5.641 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.231 6.155 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.108 7.053 -2.744 1.00 0.00 H new ATOM 928 N ALA A 99 9.974 5.962 -5.189 1.00 0.00 N ATOM 929 CA ALA A 99 9.781 5.917 -6.654 1.00 0.00 C ATOM 930 C ALA A 99 10.765 4.974 -7.362 1.00 0.00 C ATOM 931 O ALA A 99 10.345 3.998 -7.969 1.00 0.00 O ATOM 932 CB ALA A 99 9.877 7.342 -7.219 1.00 0.00 C ATOM 0 H ALA A 99 10.205 6.891 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 99 8.789 5.508 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.735 7.315 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.105 7.965 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.859 7.758 -6.992 1.00 0.00 H new ATOM 934 N GLN A 100 12.046 5.121 -7.017 1.00 0.00 N ATOM 935 CA GLN A 100 13.157 4.314 -7.564 1.00 0.00 C ATOM 936 C GLN A 100 12.985 2.797 -7.374 1.00 0.00 C ATOM 937 O GLN A 100 13.367 2.010 -8.236 1.00 0.00 O ATOM 938 CB GLN A 100 14.496 4.722 -6.921 1.00 0.00 C ATOM 939 CG GLN A 100 14.940 6.138 -7.288 1.00 0.00 C ATOM 940 CD GLN A 100 16.230 6.510 -6.561 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.275 6.831 -5.383 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.337 6.476 -7.287 1.00 0.00 N ATOM 0 H GLN A 100 12.354 5.816 -6.337 1.00 0.00 H new ATOM 0 HA GLN A 100 13.150 4.520 -8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.408 4.646 -5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.268 4.016 -7.228 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.092 6.208 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.154 6.848 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.294 6.207 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.233 6.718 -6.863 1.00 0.00 H new ATOM 946 N ALA A 101 12.436 2.428 -6.212 1.00 0.00 N ATOM 947 CA ALA A 101 12.176 1.026 -5.814 1.00 0.00 C ATOM 948 C ALA A 101 10.916 0.363 -6.398 1.00 0.00 C ATOM 949 O ALA A 101 10.815 -0.872 -6.357 1.00 0.00 O ATOM 950 CB ALA A 101 12.140 0.983 -4.281 1.00 0.00 C ATOM 0 H ALA A 101 12.152 3.103 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 101 12.985 0.433 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.950 -0.038 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.098 1.320 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.347 1.636 -3.917 1.00 0.00 H new ATOM 952 N GLY A 102 9.978 1.150 -6.932 1.00 0.00 N ATOM 953 CA GLY A 102 8.709 0.643 -7.493 1.00 0.00 C ATOM 954 C GLY A 102 7.421 1.148 -6.806 1.00 0.00 C ATOM 955 O GLY A 102 6.354 0.548 -6.986 1.00 0.00 O ATOM 0 H GLY A 102 10.072 2.164 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.666 0.914 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.721 -0.446 -7.444 1.00 0.00 H new ATOM 957 N ALA A 103 7.508 2.170 -5.957 1.00 0.00 N ATOM 958 CA ALA A 103 6.320 2.740 -5.297 1.00 0.00 C ATOM 959 C ALA A 103 5.434 3.501 -6.298 1.00 0.00 C ATOM 960 O ALA A 103 5.772 4.561 -6.819 1.00 0.00 O ATOM 961 CB ALA A 103 6.658 3.676 -4.131 1.00 0.00 C ATOM 0 H ALA A 103 8.386 2.625 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 103 5.782 1.882 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.736 4.059 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.219 3.127 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.259 4.509 -4.496 1.00 0.00 H new ATOM 963 N SER A 104 4.328 2.834 -6.597 1.00 0.00 N ATOM 964 CA SER A 104 3.267 3.311 -7.505 1.00 0.00 C ATOM 965 C SER A 104 2.672 4.670 -7.085 1.00 0.00 C ATOM 966 O SER A 104 2.045 5.350 -7.893 1.00 0.00 O ATOM 967 CB SER A 104 2.148 2.284 -7.550 1.00 0.00 C ATOM 968 OG SER A 104 2.705 0.978 -7.732 1.00 0.00 O ATOM 0 H SER A 104 4.128 1.913 -6.206 1.00 0.00 H new ATOM 0 HA SER A 104 3.727 3.445 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.571 2.319 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.461 2.515 -8.364 1.00 0.00 H new ATOM 0 HG SER A 104 2.486 0.651 -8.630 1.00 0.00 H new ATOM 971 N GLY A 105 2.732 4.947 -5.781 1.00 0.00 N ATOM 972 CA GLY A 105 2.254 6.196 -5.181 1.00 0.00 C ATOM 973 C GLY A 105 2.607 6.272 -3.691 1.00 0.00 C ATOM 974 O GLY A 105 3.117 5.313 -3.099 1.00 0.00 O ATOM 0 H GLY A 105 3.122 4.297 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.694 7.045 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.174 6.271 -5.305 1.00 0.00 H new ATOM 976 N TYR A 106 2.411 7.461 -3.136 1.00 0.00 N ATOM 977 CA TYR A 106 2.670 7.722 -1.709 1.00 0.00 C ATOM 978 C TYR A 106 1.626 8.672 -1.130 1.00 0.00 C ATOM 979 O TYR A 106 1.180 9.594 -1.804 1.00 0.00 O ATOM 980 CB TYR A 106 4.090 8.250 -1.453 1.00 0.00 C ATOM 981 CG TYR A 106 4.364 9.679 -1.938 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.128 10.766 -1.066 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.921 9.862 -3.223 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.455 12.065 -1.488 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.260 11.163 -3.641 1.00 0.00 C ATOM 986 CZ TYR A 106 5.030 12.249 -2.760 1.00 0.00 C ATOM 987 OH TYR A 106 5.362 13.502 -3.147 1.00 0.00 O ATOM 0 H TYR A 106 2.070 8.273 -3.651 1.00 0.00 H new ATOM 0 HA TYR A 106 2.592 6.763 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.287 8.205 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.800 7.579 -1.936 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.702 10.600 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.084 9.017 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.268 12.912 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.689 11.331 -4.618 1.00 0.00 H new ATOM 0 HH TYR A 106 5.749 13.475 -4.047 1.00 0.00 H new ATOM 990 N VAL A 107 1.251 8.393 0.119 1.00 0.00 N ATOM 991 CA VAL A 107 0.287 9.231 0.855 1.00 0.00 C ATOM 992 C VAL A 107 0.856 9.693 2.195 1.00 0.00 C ATOM 993 O VAL A 107 1.604 8.972 2.860 1.00 0.00 O ATOM 994 CB VAL A 107 -1.113 8.578 0.910 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.279 7.507 1.979 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.184 9.659 1.100 1.00 0.00 C ATOM 0 H VAL A 107 1.598 7.593 0.648 1.00 0.00 H new ATOM 0 HA VAL A 107 0.125 10.155 0.300 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.232 8.066 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.293 7.108 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.565 6.702 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.098 7.943 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.169 9.193 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.000 10.194 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.146 10.359 0.266 1.00 0.00 H new ATOM 998 N VAL A 108 0.698 10.989 2.387 1.00 0.00 N ATOM 999 CA VAL A 108 1.142 11.675 3.620 1.00 0.00 C ATOM 1000 C VAL A 108 0.120 11.458 4.749 1.00 0.00 C ATOM 1001 O VAL A 108 -1.085 11.557 4.557 1.00 0.00 O ATOM 1002 CB VAL A 108 1.476 13.153 3.321 1.00 0.00 C ATOM 1003 CG1 VAL A 108 0.289 13.969 2.794 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.104 13.850 4.536 1.00 0.00 C ATOM 0 H VAL A 108 0.261 11.608 1.704 1.00 0.00 H new ATOM 0 HA VAL A 108 2.072 11.238 3.984 1.00 0.00 H new ATOM 0 HB VAL A 108 2.207 13.116 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.606 14.995 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.072 13.528 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.512 13.965 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.325 14.888 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.407 13.819 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.026 13.339 4.812 1.00 0.00 H new ATOM 1006 N LYS A 109 0.665 10.964 5.846 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.086 10.640 7.073 1.00 0.00 C ATOM 1008 C LYS A 109 -0.104 11.853 8.034 1.00 0.00 C ATOM 1009 O LYS A 109 0.973 12.352 8.368 1.00 0.00 O ATOM 1010 CB LYS A 109 0.579 9.375 7.630 1.00 0.00 C ATOM 1011 CG LYS A 109 0.235 8.989 9.067 1.00 0.00 C ATOM 1012 CD LYS A 109 0.880 7.654 9.469 1.00 0.00 C ATOM 1013 CE LYS A 109 2.411 7.678 9.527 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.893 6.321 9.765 1.00 0.00 N ATOM 0 H LYS A 109 1.663 10.768 5.923 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.143 10.437 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.315 8.539 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.659 9.502 7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.571 9.774 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.847 8.917 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.497 7.360 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.568 6.887 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.818 8.065 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.748 8.343 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.932 6.309 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.581 6.002 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.509 5.684 9.038 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.283 12.237 8.547 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.602 11.602 8.304 1.00 0.00 C ATOM 1021 C PRO A 110 -3.276 11.995 6.983 1.00 0.00 C ATOM 1022 O PRO A 110 -3.202 13.130 6.511 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.444 12.018 9.508 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.900 13.401 9.861 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.405 13.283 9.592 1.00 0.00 C ATOM 0 HA PRO A 110 -2.487 10.523 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.505 12.055 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.332 11.319 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.356 14.179 9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.100 13.656 10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.989 14.231 9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.863 13.003 10.495 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.021 11.022 6.473 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.788 11.113 5.215 1.00 0.00 C ATOM 1028 C PHE A 111 -6.227 10.639 5.471 1.00 0.00 C ATOM 1029 O PHE A 111 -6.466 9.790 6.339 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.122 10.344 4.082 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.038 8.835 4.291 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -2.994 8.319 5.082 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.017 8.002 3.715 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -2.964 6.932 5.336 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.962 6.612 3.940 1.00 0.00 C ATOM 1036 CZ PHE A 111 -3.937 6.083 4.777 1.00 0.00 C ATOM 0 H PHE A 111 -4.118 10.115 6.930 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.812 12.153 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.670 10.538 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.114 10.733 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.233 8.971 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.803 8.425 3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.189 6.519 5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.688 5.955 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.907 5.023 4.984 1.00 0.00 H new ATOM 1038 N THR A 112 -7.143 11.095 4.625 1.00 0.00 N ATOM 1039 CA THR A 112 -8.582 10.763 4.716 1.00 0.00 C ATOM 1040 C THR A 112 -9.003 9.823 3.578 1.00 0.00 C ATOM 1041 O THR A 112 -8.238 9.590 2.647 1.00 0.00 O ATOM 1042 CB THR A 112 -9.451 12.028 4.597 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.279 12.610 3.292 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.181 13.040 5.711 1.00 0.00 C ATOM 0 H THR A 112 -6.918 11.712 3.845 1.00 0.00 H new ATOM 0 HA THR A 112 -8.729 10.286 5.685 1.00 0.00 H new ATOM 0 HB THR A 112 -10.493 11.732 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.325 12.753 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.822 13.911 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.391 12.582 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.137 13.350 5.676 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.265 9.366 3.618 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.847 8.530 2.541 1.00 0.00 C ATOM 1049 C ALA A 113 -10.721 9.225 1.166 1.00 0.00 C ATOM 1050 O ALA A 113 -10.247 8.617 0.207 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.307 8.212 2.839 1.00 0.00 C ATOM 0 H ALA A 113 -10.909 9.559 4.385 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.286 7.597 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.717 7.598 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.376 7.671 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.874 9.140 2.911 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.925 10.543 1.176 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.812 11.413 -0.027 1.00 0.00 C ATOM 1055 C ALA A 114 -9.366 11.482 -0.529 1.00 0.00 C ATOM 1056 O ALA A 114 -9.117 11.199 -1.706 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.348 12.806 0.326 1.00 0.00 C ATOM 0 H ALA A 114 -11.177 11.055 2.021 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.404 10.991 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.272 13.457 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.392 12.728 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.762 13.225 1.144 1.00 0.00 H new ATOM 1059 N THR A 115 -8.423 11.712 0.390 1.00 0.00 N ATOM 1060 CA THR A 115 -6.976 11.768 0.064 1.00 0.00 C ATOM 1061 C THR A 115 -6.523 10.409 -0.505 1.00 0.00 C ATOM 1062 O THR A 115 -5.930 10.356 -1.581 1.00 0.00 O ATOM 1063 CB THR A 115 -6.130 12.086 1.312 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.785 13.074 2.119 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.755 12.606 0.912 1.00 0.00 C ATOM 0 H THR A 115 -8.629 11.865 1.377 1.00 0.00 H new ATOM 0 HA THR A 115 -6.829 12.560 -0.670 1.00 0.00 H new ATOM 0 HB THR A 115 -6.014 11.164 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.173 13.382 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.174 12.824 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.239 11.851 0.320 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.867 13.515 0.322 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.943 9.330 0.171 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.673 7.932 -0.217 1.00 0.00 C ATOM 1070 C LEU A 116 -7.186 7.686 -1.661 1.00 0.00 C ATOM 1071 O LEU A 116 -6.385 7.389 -2.542 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.341 7.000 0.797 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.083 5.511 0.578 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.582 5.153 0.645 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.828 4.720 1.655 1.00 0.00 C ATOM 0 H LEU A 116 -7.495 9.404 1.026 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.602 7.729 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.997 7.269 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.417 7.174 0.773 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.437 5.257 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.456 4.083 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.042 5.703 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.188 5.420 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.652 3.654 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.467 5.017 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.896 4.925 1.583 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.444 8.060 -1.914 1.00 0.00 N ATOM 1078 CA GLU A 117 -9.097 7.944 -3.233 1.00 0.00 C ATOM 1079 C GLU A 117 -8.286 8.663 -4.330 1.00 0.00 C ATOM 1080 O GLU A 117 -7.980 8.077 -5.370 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.517 8.508 -3.158 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.316 8.275 -4.443 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.693 8.937 -4.352 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -12.738 10.169 -4.506 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -13.658 8.179 -4.123 1.00 0.00 O ATOM 0 H GLU A 117 -9.052 8.459 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.143 6.888 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.042 8.048 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.468 9.578 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.769 8.678 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.432 7.205 -4.616 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.896 9.911 -4.048 1.00 0.00 N ATOM 1088 CA GLU A 118 -7.085 10.724 -4.983 1.00 0.00 C ATOM 1089 C GLU A 118 -5.778 10.025 -5.382 1.00 0.00 C ATOM 1090 O GLU A 118 -5.507 9.846 -6.578 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.809 12.127 -4.410 1.00 0.00 C ATOM 1092 CG GLU A 118 -8.084 12.967 -4.232 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.806 13.234 -5.558 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -8.430 14.217 -6.224 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -9.720 12.437 -5.882 1.00 0.00 O ATOM 0 H GLU A 118 -8.127 10.389 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.676 10.838 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.309 12.028 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.123 12.655 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.762 12.452 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.826 13.918 -3.766 1.00 0.00 H new ATOM 1097 N LYS A 119 -5.076 9.495 -4.379 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.822 8.745 -4.576 1.00 0.00 C ATOM 1099 C LYS A 119 -4.041 7.451 -5.380 1.00 0.00 C ATOM 1100 O LYS A 119 -3.323 7.204 -6.343 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.156 8.463 -3.229 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.092 9.508 -2.870 1.00 0.00 C ATOM 1103 CD LYS A 119 -2.637 10.924 -2.675 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.538 11.933 -2.309 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.553 12.060 -3.408 1.00 0.00 N ATOM 0 H LYS A 119 -5.357 9.571 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.151 9.367 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.917 8.441 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.696 7.475 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.589 9.196 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.339 9.527 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.133 11.248 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.393 10.914 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.985 12.905 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.033 11.613 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.059 12.883 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.029 11.199 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.054 12.187 -4.310 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.130 6.731 -5.065 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.517 5.492 -5.777 1.00 0.00 C ATOM 1112 C LEU A 120 -5.616 5.733 -7.297 1.00 0.00 C ATOM 1113 O LEU A 120 -4.914 5.094 -8.070 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.848 4.940 -5.256 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.810 4.437 -3.806 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.229 4.167 -3.310 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.947 3.177 -3.647 1.00 0.00 C ATOM 0 H LEU A 120 -5.769 6.987 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.736 4.756 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.605 5.720 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.164 4.121 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.352 5.220 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.193 3.810 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.811 5.087 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.697 3.410 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.953 2.861 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.351 2.379 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.924 3.395 -3.954 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.363 6.776 -7.665 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.560 7.207 -9.063 1.00 0.00 C ATOM 1121 C ASN A 121 -5.240 7.353 -9.843 1.00 0.00 C ATOM 1122 O ASN A 121 -5.016 6.672 -10.850 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.312 8.547 -9.075 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.806 8.433 -8.754 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.497 7.486 -9.114 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.339 9.404 -8.062 1.00 0.00 N ATOM 0 H ASN A 121 -6.860 7.360 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.138 6.429 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.847 9.218 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.197 9.006 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.330 9.374 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.765 10.192 -7.762 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.326 8.114 -9.251 1.00 0.00 N ATOM 1131 CA LYS A 122 -2.961 8.387 -9.773 1.00 0.00 C ATOM 1132 C LYS A 122 -2.184 7.093 -10.091 1.00 0.00 C ATOM 1133 O LYS A 122 -1.721 6.905 -11.217 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.256 9.220 -8.701 1.00 0.00 C ATOM 1135 CG LYS A 122 -0.859 9.733 -9.091 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.202 10.498 -7.942 1.00 0.00 C ATOM 1137 CE LYS A 122 0.307 9.595 -6.802 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.518 8.900 -7.236 1.00 0.00 N ATOM 0 H LYS A 122 -4.506 8.581 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.013 8.923 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.885 10.075 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.166 8.619 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.228 8.891 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.939 10.382 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.634 11.077 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.920 11.210 -7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.516 10.193 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.461 8.872 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.361 7.873 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.749 9.180 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.307 9.152 -6.608 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.228 6.165 -9.145 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.571 4.841 -9.227 1.00 0.00 C ATOM 1145 C ILE A 123 -2.039 4.044 -10.452 1.00 0.00 C ATOM 1146 O ILE A 123 -1.221 3.652 -11.277 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.811 4.121 -7.880 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.016 4.867 -6.797 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.435 2.635 -7.922 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.497 4.640 -5.365 1.00 0.00 C ATOM 0 H ILE A 123 -2.733 6.303 -8.269 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.497 4.949 -9.379 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.877 4.142 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.029 4.566 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.055 5.935 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.625 2.184 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.034 2.129 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.378 2.534 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.872 5.209 -4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.532 4.969 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.431 3.579 -5.123 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.361 3.924 -10.611 1.00 0.00 N ATOM 1153 CA PHE A 124 -3.949 3.193 -11.762 1.00 0.00 C ATOM 1154 C PHE A 124 -3.484 3.742 -13.114 1.00 0.00 C ATOM 1155 O PHE A 124 -3.006 2.980 -13.960 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.484 3.156 -11.676 1.00 0.00 C ATOM 1157 CG PHE A 124 -5.974 2.405 -10.429 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.523 1.099 -10.151 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -6.709 3.137 -9.463 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.759 0.524 -8.888 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -6.930 2.572 -8.184 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.449 1.278 -7.909 1.00 0.00 C ATOM 0 H PHE A 124 -4.048 4.317 -9.968 1.00 0.00 H new ATOM 0 HA PHE A 124 -3.579 2.170 -11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -5.871 4.175 -11.660 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -5.885 2.676 -12.569 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.995 0.538 -10.908 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -7.097 4.117 -9.701 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.419 -0.477 -8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.462 3.128 -7.427 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.610 0.851 -6.930 1.00 0.00 H new