USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 DA2 HXT : A1148 DA2 OXT : A1148 DA2 C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot 15:sc= -3.43! USER MOD Set 1.2: A 136 GLN : amide:sc= -1.78 K(o=-5.2,f=-8.6!) USER MOD Set 2.1: A 97 LYS NZ :NH3+ -165:sc= 2.31 (180deg=1.11) USER MOD Set 2.2: A 112 THR OG1 : rot 176:sc= 0.804 USER MOD Set 2.3: A 128 THR OG1 : rot 139:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.447 K(o=0.45,f=-1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 1.04 K(o=1,f=-0.062) USER MOD Single : A 91 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.59) USER MOD Single : A 98 CYS SG : rot -8:sc= 0.985 USER MOD Single : A 99 SER OG : rot 121:sc= -0.709! USER MOD Single : A 103 SER OG : rot 49:sc= 1.26 USER MOD Single : A 107 CYS SG : rot 89:sc= 1.23 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.251 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 173:sc= 0.923 USER MOD Single : A 123 CYS SG : rot -70:sc= -5.2! USER MOD Single : A 130 TYR OH : rot -127:sc= 0.0397 USER MOD Single : A 132 ASN : amide:sc= 1.05 K(o=1.1,f=-5.5!) USER MOD Single : A 137 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.49) USER MOD Single : A 139 SER OG : rot 144:sc= 1.23 USER MOD Single : A 143 SER OG : rot 180:sc= -0.21 USER MOD Single : A 146 CYS SG : rot 180:sc= 0.0085 USER MOD Single : A1148 DA2 NH2 :NH3+ -91:sc= -0.265 (180deg=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -5.810 5.543 7.363 1.00 0.00 N ATOM 2 CA ASN A 84 -6.627 5.301 8.558 1.00 0.00 C ATOM 3 C ASN A 84 -6.999 6.608 9.194 1.00 0.00 C ATOM 4 O ASN A 84 -8.141 7.049 9.097 1.00 0.00 O ATOM 5 CB ASN A 84 -5.896 4.420 9.587 1.00 0.00 C ATOM 6 CG ASN A 84 -5.567 3.055 9.064 1.00 0.00 C ATOM 7 OD1 ASN A 84 -6.283 2.520 8.228 1.00 0.00 O ATOM 8 ND2 ASN A 84 -4.487 2.488 9.542 1.00 0.00 N ATOM 0 HA ASN A 84 -7.524 4.770 8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.975 4.917 9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.516 4.321 10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.212 1.561 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.922 2.974 10.238 1.00 0.00 H new ATOM 17 N THR A 85 -6.030 7.257 9.793 1.00 0.00 N ATOM 18 CA THR A 85 -6.239 8.493 10.486 1.00 0.00 C ATOM 19 C THR A 85 -6.582 9.606 9.490 1.00 0.00 C ATOM 20 O THR A 85 -5.781 9.914 8.598 1.00 0.00 O ATOM 21 CB THR A 85 -4.973 8.834 11.277 1.00 0.00 C ATOM 22 OG1 THR A 85 -4.581 7.657 12.009 1.00 0.00 O ATOM 23 CG2 THR A 85 -5.237 9.958 12.261 1.00 0.00 C ATOM 0 H THR A 85 -5.063 6.932 9.810 1.00 0.00 H new ATOM 0 HA THR A 85 -7.077 8.397 11.177 1.00 0.00 H new ATOM 0 HB THR A 85 -4.190 9.155 10.589 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.770 7.847 12.524 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.323 10.182 12.811 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.562 10.847 11.720 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.016 9.654 12.960 1.00 0.00 H new ATOM 31 N ALA A 86 -7.812 10.128 9.622 1.00 0.00 N ATOM 32 CA ALA A 86 -8.396 11.188 8.775 1.00 0.00 C ATOM 33 C ALA A 86 -8.793 10.677 7.388 1.00 0.00 C ATOM 34 O ALA A 86 -9.376 11.409 6.591 1.00 0.00 O ATOM 35 CB ALA A 86 -7.489 12.415 8.677 1.00 0.00 C ATOM 0 H ALA A 86 -8.454 9.813 10.349 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.313 11.501 9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.961 13.167 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.327 12.828 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.531 12.126 8.244 1.00 0.00 H new ATOM 41 N ALA A 87 -8.513 9.418 7.114 1.00 0.00 N ATOM 42 CA ALA A 87 -8.803 8.843 5.821 1.00 0.00 C ATOM 43 C ALA A 87 -8.943 7.337 5.918 1.00 0.00 C ATOM 44 O ALA A 87 -7.944 6.596 5.905 1.00 0.00 O ATOM 45 CB ALA A 87 -7.722 9.212 4.821 1.00 0.00 C ATOM 0 H ALA A 87 -8.082 8.773 7.776 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.752 9.251 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.956 8.771 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.672 10.296 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.760 8.834 5.169 1.00 0.00 H new ATOM 51 N SER A 88 -10.153 6.884 6.077 1.00 0.00 N ATOM 52 CA SER A 88 -10.419 5.471 6.171 1.00 0.00 C ATOM 53 C SER A 88 -11.330 5.041 5.017 1.00 0.00 C ATOM 54 O SER A 88 -11.481 3.865 4.712 1.00 0.00 O ATOM 55 CB SER A 88 -11.033 5.155 7.548 1.00 0.00 C ATOM 56 OG SER A 88 -11.031 3.765 7.832 1.00 0.00 O ATOM 0 H SER A 88 -10.981 7.476 6.145 1.00 0.00 H new ATOM 0 HA SER A 88 -9.492 4.904 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.475 5.683 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.056 5.529 7.582 1.00 0.00 H new ATOM 0 HG SER A 88 -11.428 3.611 8.715 1.00 0.00 H new ATOM 62 N LEU A 89 -11.859 6.014 4.343 1.00 0.00 N ATOM 63 CA LEU A 89 -12.783 5.800 3.242 1.00 0.00 C ATOM 64 C LEU A 89 -12.083 5.946 1.895 1.00 0.00 C ATOM 65 O LEU A 89 -12.730 6.133 0.862 1.00 0.00 O ATOM 66 CB LEU A 89 -13.988 6.760 3.391 1.00 0.00 C ATOM 67 CG LEU A 89 -13.673 8.240 3.729 1.00 0.00 C ATOM 68 CD1 LEU A 89 -13.031 8.991 2.567 1.00 0.00 C ATOM 69 CD2 LEU A 89 -14.919 8.960 4.214 1.00 0.00 C ATOM 0 H LEU A 89 -11.667 6.997 4.534 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.158 4.777 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.555 6.739 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.640 6.366 4.171 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.938 8.225 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.834 10.021 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.093 8.506 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.706 8.983 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.674 9.997 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.681 8.932 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.298 8.468 5.110 1.00 0.00 H new ATOM 81 N GLN A 90 -10.764 5.810 1.922 1.00 0.00 N ATOM 82 CA GLN A 90 -9.933 5.986 0.742 1.00 0.00 C ATOM 83 C GLN A 90 -10.252 4.971 -0.327 1.00 0.00 C ATOM 84 O GLN A 90 -10.252 3.767 -0.067 1.00 0.00 O ATOM 85 CB GLN A 90 -8.466 5.871 1.080 1.00 0.00 C ATOM 86 CG GLN A 90 -7.956 6.906 2.033 1.00 0.00 C ATOM 87 CD GLN A 90 -6.478 6.770 2.230 1.00 0.00 C ATOM 88 OE1 GLN A 90 -5.676 7.384 1.522 1.00 0.00 O ATOM 89 NE2 GLN A 90 -6.101 5.957 3.159 1.00 0.00 N ATOM 0 H GLN A 90 -10.241 5.574 2.765 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.150 6.986 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.282 4.884 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.889 5.932 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.186 7.901 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.465 6.806 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.797 5.469 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.107 5.803 3.330 1.00 0.00 H new ATOM 98 N GLN A 91 -10.512 5.433 -1.512 1.00 0.00 N ATOM 99 CA GLN A 91 -10.794 4.549 -2.596 1.00 0.00 C ATOM 100 C GLN A 91 -9.661 4.602 -3.592 1.00 0.00 C ATOM 101 O GLN A 91 -9.419 5.619 -4.239 1.00 0.00 O ATOM 102 CB GLN A 91 -12.131 4.873 -3.249 1.00 0.00 C ATOM 103 CG GLN A 91 -12.574 3.873 -4.308 1.00 0.00 C ATOM 104 CD GLN A 91 -12.680 2.457 -3.774 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.723 2.052 -3.245 1.00 0.00 O ATOM 106 NE2 GLN A 91 -11.649 1.666 -3.973 1.00 0.00 N ATOM 0 H GLN A 91 -10.534 6.424 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.876 3.533 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.896 4.926 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.069 5.862 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.541 4.179 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.866 3.892 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.804 2.031 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.695 0.687 -3.689 1.00 0.00 H new ATOM 115 N TRP A 92 -8.957 3.519 -3.666 1.00 0.00 N ATOM 116 CA TRP A 92 -7.812 3.374 -4.522 1.00 0.00 C ATOM 117 C TRP A 92 -8.159 2.512 -5.712 1.00 0.00 C ATOM 118 O TRP A 92 -9.196 1.827 -5.693 1.00 0.00 O ATOM 119 CB TRP A 92 -6.696 2.707 -3.743 1.00 0.00 C ATOM 120 CG TRP A 92 -6.196 3.494 -2.578 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.672 3.472 -1.299 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.100 4.402 -2.584 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.938 4.322 -0.516 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.966 4.904 -1.281 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.217 4.839 -3.570 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.982 5.819 -0.940 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.246 5.738 -3.231 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.134 6.220 -1.926 1.00 0.00 C ATOM 0 H TRP A 92 -9.164 2.684 -3.119 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.498 4.358 -4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.048 1.739 -3.387 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.863 2.515 -4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.503 2.874 -0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.092 4.493 0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.299 4.474 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.892 6.198 0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.554 6.081 -3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.354 6.930 -1.693 1.00 0.00 H new ATOM 139 N LYS A 93 -7.328 2.555 -6.746 1.00 0.00 N ATOM 140 CA LYS A 93 -7.500 1.695 -7.894 1.00 0.00 C ATOM 141 C LYS A 93 -6.148 1.036 -8.197 1.00 0.00 C ATOM 142 O LYS A 93 -5.098 1.511 -7.727 1.00 0.00 O ATOM 143 CB LYS A 93 -8.011 2.479 -9.128 1.00 0.00 C ATOM 144 CG LYS A 93 -6.923 3.152 -9.965 1.00 0.00 C ATOM 145 CD LYS A 93 -7.503 4.022 -11.063 1.00 0.00 C ATOM 146 CE LYS A 93 -8.048 5.329 -10.510 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.969 6.168 -9.932 1.00 0.00 N ATOM 0 H LYS A 93 -6.526 3.182 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.253 0.940 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.569 1.795 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.712 3.242 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.292 3.760 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.283 2.389 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.734 4.233 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.300 3.482 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.552 5.879 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.795 5.118 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.318 7.138 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.677 5.775 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.154 6.179 -10.578 1.00 0.00 H new ATOM 161 N VAL A 94 -6.172 -0.044 -8.942 1.00 0.00 N ATOM 162 CA VAL A 94 -4.959 -0.742 -9.331 1.00 0.00 C ATOM 163 C VAL A 94 -4.086 0.163 -10.211 1.00 0.00 C ATOM 164 O VAL A 94 -4.565 0.738 -11.200 1.00 0.00 O ATOM 165 CB VAL A 94 -5.296 -2.051 -10.096 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.035 -2.720 -10.621 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.051 -3.008 -9.188 1.00 0.00 C ATOM 0 H VAL A 94 -7.029 -0.467 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.410 -1.000 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.924 -1.792 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.302 -3.634 -11.152 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.520 -2.042 -11.302 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.378 -2.964 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.282 -3.922 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.436 -3.249 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.978 -2.540 -8.856 1.00 0.00 H new ATOM 177 N GLY A 95 -2.826 0.298 -9.841 1.00 0.00 N ATOM 178 CA GLY A 95 -1.911 1.099 -10.614 1.00 0.00 C ATOM 179 C GLY A 95 -1.662 2.468 -10.028 1.00 0.00 C ATOM 180 O GLY A 95 -1.008 3.308 -10.657 1.00 0.00 O ATOM 0 H GLY A 95 -2.419 -0.137 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.961 0.571 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.304 1.212 -11.624 1.00 0.00 H new ATOM 184 N ASP A 96 -2.156 2.704 -8.839 1.00 0.00 N ATOM 185 CA ASP A 96 -1.937 3.989 -8.177 1.00 0.00 C ATOM 186 C ASP A 96 -0.799 3.862 -7.244 1.00 0.00 C ATOM 187 O ASP A 96 -0.514 2.776 -6.714 1.00 0.00 O ATOM 188 CB ASP A 96 -3.175 4.538 -7.416 1.00 0.00 C ATOM 189 CG ASP A 96 -4.269 5.143 -8.289 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.959 5.859 -9.261 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.470 4.990 -7.964 1.00 0.00 O ATOM 0 H ASP A 96 -2.710 2.036 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.729 4.711 -8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.609 3.727 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.838 5.296 -6.709 1.00 0.00 H new ATOM 196 N LYS A 97 -0.136 4.937 -7.072 1.00 0.00 N ATOM 197 CA LYS A 97 0.997 5.025 -6.252 1.00 0.00 C ATOM 198 C LYS A 97 0.563 5.417 -4.885 1.00 0.00 C ATOM 199 O LYS A 97 -0.336 6.252 -4.718 1.00 0.00 O ATOM 200 CB LYS A 97 1.880 6.076 -6.836 1.00 0.00 C ATOM 201 CG LYS A 97 2.269 5.742 -8.257 1.00 0.00 C ATOM 202 CD LYS A 97 3.347 4.678 -8.337 1.00 0.00 C ATOM 203 CE LYS A 97 4.612 5.090 -7.631 1.00 0.00 C ATOM 204 NZ LYS A 97 5.657 4.046 -7.705 1.00 0.00 N ATOM 0 H LYS A 97 -0.382 5.819 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 97 1.530 4.076 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.367 7.038 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.778 6.179 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.387 5.401 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.620 6.646 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.974 3.753 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.570 4.468 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.990 6.012 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.389 5.306 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.402 4.250 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.236 3.118 -7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.070 4.035 -8.660 1.00 0.00 H new ATOM 218 N CYS A 98 1.169 4.841 -3.940 1.00 0.00 N ATOM 219 CA CYS A 98 0.833 5.085 -2.572 1.00 0.00 C ATOM 220 C CYS A 98 2.046 4.849 -1.694 1.00 0.00 C ATOM 221 O CYS A 98 3.178 4.725 -2.188 1.00 0.00 O ATOM 222 CB CYS A 98 -0.333 4.157 -2.166 1.00 0.00 C ATOM 223 SG CYS A 98 -0.007 2.403 -2.396 1.00 0.00 S ATOM 0 H CYS A 98 1.928 4.172 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 98 0.520 6.121 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.573 4.334 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.215 4.429 -2.746 1.00 0.00 H new ATOM 0 HG CYS A 98 1.118 2.250 -3.029 1.00 0.00 H new ATOM 229 N SER A 99 1.824 4.828 -0.433 1.00 0.00 N ATOM 230 CA SER A 99 2.815 4.492 0.514 1.00 0.00 C ATOM 231 C SER A 99 2.202 3.474 1.418 1.00 0.00 C ATOM 232 O SER A 99 0.986 3.524 1.684 1.00 0.00 O ATOM 233 CB SER A 99 3.249 5.686 1.325 1.00 0.00 C ATOM 234 OG SER A 99 3.531 6.803 0.501 1.00 0.00 O ATOM 0 H SER A 99 0.919 5.051 -0.020 1.00 0.00 H new ATOM 0 HA SER A 99 3.703 4.117 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.466 5.947 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.135 5.429 1.906 1.00 0.00 H new ATOM 0 HG SER A 99 2.949 7.550 0.752 1.00 0.00 H new ATOM 240 N ALA A 100 2.991 2.580 1.869 1.00 0.00 N ATOM 241 CA ALA A 100 2.529 1.506 2.670 1.00 0.00 C ATOM 242 C ALA A 100 3.463 1.301 3.828 1.00 0.00 C ATOM 243 O ALA A 100 4.606 1.770 3.800 1.00 0.00 O ATOM 244 CB ALA A 100 2.435 0.253 1.822 1.00 0.00 C ATOM 0 H ALA A 100 3.995 2.569 1.692 1.00 0.00 H new ATOM 0 HA ALA A 100 1.539 1.735 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.080 -0.575 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.739 0.421 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.419 0.011 1.420 1.00 0.00 H new ATOM 250 N ILE A 101 2.980 0.641 4.837 1.00 0.00 N ATOM 251 CA ILE A 101 3.782 0.312 5.987 1.00 0.00 C ATOM 252 C ILE A 101 4.392 -1.045 5.744 1.00 0.00 C ATOM 253 O ILE A 101 3.670 -2.011 5.529 1.00 0.00 O ATOM 254 CB ILE A 101 2.927 0.260 7.300 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.510 1.657 7.762 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.658 -0.473 8.428 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.643 2.476 8.335 1.00 0.00 C ATOM 0 H ILE A 101 2.016 0.312 4.891 1.00 0.00 H new ATOM 0 HA ILE A 101 4.543 1.081 6.120 1.00 0.00 H new ATOM 0 HB ILE A 101 2.025 -0.302 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.077 2.194 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.727 1.562 8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.031 -0.486 9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.871 -1.496 8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.593 0.041 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.268 3.453 8.640 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.062 1.962 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.418 2.605 7.579 1.00 0.00 H new ATOM 269 N TRP A 102 5.701 -1.106 5.743 1.00 0.00 N ATOM 270 CA TRP A 102 6.403 -2.347 5.522 1.00 0.00 C ATOM 271 C TRP A 102 6.206 -3.263 6.695 1.00 0.00 C ATOM 272 O TRP A 102 6.462 -2.872 7.804 1.00 0.00 O ATOM 273 CB TRP A 102 7.885 -2.086 5.317 1.00 0.00 C ATOM 274 CG TRP A 102 8.634 -3.280 4.804 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.122 -4.288 4.050 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.024 -3.571 4.963 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.086 -5.199 3.758 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.272 -4.779 4.289 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.076 -2.936 5.606 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.533 -5.362 4.244 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.331 -3.513 5.564 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.549 -4.715 4.888 1.00 0.00 C ATOM 0 H TRP A 102 6.308 -0.300 5.895 1.00 0.00 H new ATOM 0 HA TRP A 102 6.002 -2.820 4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.008 -1.261 4.616 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.325 -1.769 6.263 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.093 -4.355 3.728 1.00 0.00 H new ATOM 0 HE1 TRP A 102 8.947 -6.059 3.227 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.917 -2.006 6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.703 -6.291 3.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.156 -3.026 6.062 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.541 -5.142 4.874 1.00 0.00 H new ATOM 293 N SER A 103 5.772 -4.472 6.446 1.00 0.00 N ATOM 294 CA SER A 103 5.552 -5.452 7.485 1.00 0.00 C ATOM 295 C SER A 103 6.796 -5.735 8.303 1.00 0.00 C ATOM 296 O SER A 103 6.713 -6.057 9.476 1.00 0.00 O ATOM 297 CB SER A 103 5.064 -6.744 6.868 1.00 0.00 C ATOM 298 OG SER A 103 3.700 -6.661 6.480 1.00 0.00 O ATOM 0 H SER A 103 5.558 -4.810 5.508 1.00 0.00 H new ATOM 0 HA SER A 103 4.804 -5.035 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.675 -6.985 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.190 -7.558 7.582 1.00 0.00 H new ATOM 0 HG SER A 103 3.556 -5.841 5.964 1.00 0.00 H new ATOM 304 N GLU A 104 7.930 -5.578 7.701 1.00 0.00 N ATOM 305 CA GLU A 104 9.146 -5.957 8.360 1.00 0.00 C ATOM 306 C GLU A 104 9.682 -4.867 9.262 1.00 0.00 C ATOM 307 O GLU A 104 10.073 -5.133 10.399 1.00 0.00 O ATOM 308 CB GLU A 104 10.181 -6.336 7.343 1.00 0.00 C ATOM 309 CG GLU A 104 9.758 -7.467 6.446 1.00 0.00 C ATOM 310 CD GLU A 104 9.654 -8.776 7.169 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.706 -9.400 7.436 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.530 -9.212 7.479 1.00 0.00 O ATOM 0 H GLU A 104 8.044 -5.194 6.763 1.00 0.00 H new ATOM 0 HA GLU A 104 8.916 -6.814 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.413 -5.465 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.099 -6.616 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.794 -7.228 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.474 -7.564 5.630 1.00 0.00 H new ATOM 319 N ASP A 105 9.652 -3.637 8.795 1.00 0.00 N ATOM 320 CA ASP A 105 10.272 -2.550 9.565 1.00 0.00 C ATOM 321 C ASP A 105 9.201 -1.678 10.186 1.00 0.00 C ATOM 322 O ASP A 105 9.434 -0.971 11.158 1.00 0.00 O ATOM 323 CB ASP A 105 11.137 -1.710 8.622 1.00 0.00 C ATOM 324 CG ASP A 105 12.134 -0.810 9.305 1.00 0.00 C ATOM 325 OD1 ASP A 105 11.759 0.216 9.859 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.338 -1.112 9.252 1.00 0.00 O ATOM 0 H ASP A 105 9.222 -3.357 7.914 1.00 0.00 H new ATOM 0 HA ASP A 105 10.887 -2.970 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.675 -2.381 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.483 -1.098 8.002 1.00 0.00 H new ATOM 331 N GLY A 106 8.003 -1.779 9.653 1.00 0.00 N ATOM 332 CA GLY A 106 6.877 -1.002 10.157 1.00 0.00 C ATOM 333 C GLY A 106 6.894 0.439 9.676 1.00 0.00 C ATOM 334 O GLY A 106 6.112 1.259 10.134 1.00 0.00 O ATOM 0 H GLY A 106 7.777 -2.391 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.946 -1.474 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.890 -1.017 11.247 1.00 0.00 H new ATOM 338 N CYS A 107 7.808 0.755 8.797 1.00 0.00 N ATOM 339 CA CYS A 107 7.939 2.105 8.294 1.00 0.00 C ATOM 340 C CYS A 107 7.175 2.338 7.000 1.00 0.00 C ATOM 341 O CYS A 107 6.795 1.381 6.314 1.00 0.00 O ATOM 342 CB CYS A 107 9.393 2.474 8.163 1.00 0.00 C ATOM 343 SG CYS A 107 10.233 2.637 9.744 1.00 0.00 S ATOM 0 H CYS A 107 8.480 0.093 8.409 1.00 0.00 H new ATOM 0 HA CYS A 107 7.477 2.768 9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.900 1.716 7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.474 3.415 7.618 1.00 0.00 H new ATOM 0 HG CYS A 107 10.719 1.484 10.098 1.00 0.00 H new ATOM 349 N ILE A 108 6.961 3.603 6.675 1.00 0.00 N ATOM 350 CA ILE A 108 6.313 4.010 5.433 1.00 0.00 C ATOM 351 C ILE A 108 7.309 3.911 4.288 1.00 0.00 C ATOM 352 O ILE A 108 8.440 4.403 4.389 1.00 0.00 O ATOM 353 CB ILE A 108 5.826 5.491 5.486 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.835 5.730 6.618 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.193 5.880 4.162 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.462 5.152 6.382 1.00 0.00 C ATOM 0 H ILE A 108 7.234 4.385 7.270 1.00 0.00 H new ATOM 0 HA ILE A 108 5.457 3.351 5.289 1.00 0.00 H new ATOM 0 HB ILE A 108 6.701 6.113 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.242 5.304 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.740 6.804 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.857 6.916 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.926 5.773 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.341 5.231 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.823 5.370 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.030 5.595 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.539 4.073 6.252 1.00 0.00 H new ATOM 368 N TYR A 109 6.900 3.274 3.241 1.00 0.00 N ATOM 369 CA TYR A 109 7.682 3.159 2.027 1.00 0.00 C ATOM 370 C TYR A 109 6.782 3.356 0.834 1.00 0.00 C ATOM 371 O TYR A 109 5.584 3.046 0.911 1.00 0.00 O ATOM 372 CB TYR A 109 8.381 1.805 1.937 1.00 0.00 C ATOM 373 CG TYR A 109 9.531 1.639 2.891 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.807 2.030 2.529 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.343 1.087 4.147 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.862 1.884 3.391 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.389 0.931 5.017 1.00 0.00 C ATOM 378 CZ TYR A 109 11.655 1.337 4.632 1.00 0.00 C ATOM 379 OH TYR A 109 12.717 1.222 5.494 1.00 0.00 O ATOM 0 H TYR A 109 5.996 2.805 3.192 1.00 0.00 H new ATOM 0 HA TYR A 109 8.454 3.929 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.650 1.019 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.745 1.664 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.975 2.457 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.354 0.774 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.852 2.198 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.228 0.496 5.992 1.00 0.00 H new ATOM 0 HH TYR A 109 12.414 0.817 6.334 1.00 0.00 H new ATOM 389 N PRO A 110 7.312 3.899 -0.271 1.00 0.00 N ATOM 390 CA PRO A 110 6.535 4.113 -1.479 1.00 0.00 C ATOM 391 C PRO A 110 6.226 2.789 -2.164 1.00 0.00 C ATOM 392 O PRO A 110 7.119 1.961 -2.399 1.00 0.00 O ATOM 393 CB PRO A 110 7.444 4.976 -2.354 1.00 0.00 C ATOM 394 CG PRO A 110 8.825 4.660 -1.898 1.00 0.00 C ATOM 395 CD PRO A 110 8.719 4.338 -0.435 1.00 0.00 C ATOM 0 HA PRO A 110 5.572 4.583 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.313 4.742 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.220 6.036 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.235 3.817 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.493 5.506 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.419 3.554 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.941 5.208 0.183 1.00 0.00 H new ATOM 403 N ALA A 111 4.986 2.576 -2.462 1.00 0.00 N ATOM 404 CA ALA A 111 4.571 1.358 -3.066 1.00 0.00 C ATOM 405 C ALA A 111 3.457 1.616 -4.044 1.00 0.00 C ATOM 406 O ALA A 111 2.712 2.575 -3.904 1.00 0.00 O ATOM 407 CB ALA A 111 4.130 0.375 -2.002 1.00 0.00 C ATOM 0 H ALA A 111 4.234 3.244 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 111 5.412 0.927 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.814 -0.555 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.961 0.174 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.298 0.797 -1.439 1.00 0.00 H new ATOM 413 N THR A 112 3.337 0.791 -5.015 1.00 0.00 N ATOM 414 CA THR A 112 2.304 0.959 -5.982 1.00 0.00 C ATOM 415 C THR A 112 1.317 -0.182 -5.822 1.00 0.00 C ATOM 416 O THR A 112 1.708 -1.292 -5.477 1.00 0.00 O ATOM 417 CB THR A 112 2.918 0.909 -7.383 1.00 0.00 C ATOM 418 OG1 THR A 112 4.154 1.668 -7.406 1.00 0.00 O ATOM 419 CG2 THR A 112 1.948 1.482 -8.399 1.00 0.00 C ATOM 0 H THR A 112 3.943 -0.015 -5.168 1.00 0.00 H new ATOM 0 HA THR A 112 1.800 1.915 -5.843 1.00 0.00 H new ATOM 0 HB THR A 112 3.128 -0.130 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.576 1.579 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.395 1.441 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.027 0.899 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.724 2.518 -8.144 1.00 0.00 H new ATOM 427 N ILE A 113 0.072 0.083 -6.084 1.00 0.00 N ATOM 428 CA ILE A 113 -0.957 -0.915 -5.958 1.00 0.00 C ATOM 429 C ILE A 113 -0.922 -1.870 -7.137 1.00 0.00 C ATOM 430 O ILE A 113 -1.065 -1.455 -8.295 1.00 0.00 O ATOM 431 CB ILE A 113 -2.333 -0.261 -5.870 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.351 0.723 -4.708 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.407 -1.326 -5.688 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.605 1.526 -4.621 1.00 0.00 C ATOM 0 H ILE A 113 -0.263 0.996 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.771 -1.475 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.540 0.278 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.217 0.174 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.502 1.400 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.385 -0.849 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.389 -2.009 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.216 -1.882 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.545 2.204 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.731 2.104 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.457 0.858 -4.493 1.00 0.00 H new ATOM 446 N ALA A 114 -0.738 -3.126 -6.843 1.00 0.00 N ATOM 447 CA ALA A 114 -0.676 -4.151 -7.850 1.00 0.00 C ATOM 448 C ALA A 114 -2.042 -4.757 -8.071 1.00 0.00 C ATOM 449 O ALA A 114 -2.424 -5.049 -9.204 1.00 0.00 O ATOM 450 CB ALA A 114 0.320 -5.224 -7.452 1.00 0.00 C ATOM 0 H ALA A 114 -0.626 -3.472 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.343 -3.698 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.355 -5.992 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.308 -4.779 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.013 -5.673 -6.507 1.00 0.00 H new ATOM 456 N SER A 115 -2.785 -4.949 -6.999 1.00 0.00 N ATOM 457 CA SER A 115 -4.112 -5.555 -7.076 1.00 0.00 C ATOM 458 C SER A 115 -4.903 -5.193 -5.836 1.00 0.00 C ATOM 459 O SER A 115 -4.314 -5.014 -4.783 1.00 0.00 O ATOM 460 CB SER A 115 -3.992 -7.077 -7.161 1.00 0.00 C ATOM 461 OG SER A 115 -3.210 -7.479 -8.281 1.00 0.00 O ATOM 0 H SER A 115 -2.495 -4.694 -6.055 1.00 0.00 H new ATOM 0 HA SER A 115 -4.619 -5.182 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.540 -7.459 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.986 -7.518 -7.234 1.00 0.00 H new ATOM 0 HG SER A 115 -3.152 -8.457 -8.305 1.00 0.00 H new ATOM 467 N ILE A 116 -6.213 -5.072 -5.964 1.00 0.00 N ATOM 468 CA ILE A 116 -7.076 -4.731 -4.852 1.00 0.00 C ATOM 469 C ILE A 116 -8.193 -5.750 -4.696 1.00 0.00 C ATOM 470 O ILE A 116 -8.828 -6.142 -5.680 1.00 0.00 O ATOM 471 CB ILE A 116 -7.741 -3.357 -5.077 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.702 -2.263 -5.198 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.736 -3.043 -3.969 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.274 -0.954 -5.606 1.00 0.00 C ATOM 0 H ILE A 116 -6.707 -5.208 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.449 -4.714 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.290 -3.403 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.193 -2.147 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.949 -2.565 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.190 -2.069 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.513 -3.807 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.219 -3.027 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.477 -0.214 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.759 -1.056 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.007 -0.631 -4.867 1.00 0.00 H new ATOM 486 N ASP A 117 -8.427 -6.162 -3.483 1.00 0.00 N ATOM 487 CA ASP A 117 -9.567 -6.982 -3.160 1.00 0.00 C ATOM 488 C ASP A 117 -10.455 -6.128 -2.312 1.00 0.00 C ATOM 489 O ASP A 117 -10.202 -5.934 -1.115 1.00 0.00 O ATOM 490 CB ASP A 117 -9.198 -8.257 -2.409 1.00 0.00 C ATOM 491 CG ASP A 117 -10.353 -9.238 -2.320 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.367 -8.951 -1.655 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.280 -10.317 -2.942 1.00 0.00 O ATOM 0 H ASP A 117 -7.832 -5.940 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.050 -7.316 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.356 -8.737 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.867 -7.999 -1.403 1.00 0.00 H new ATOM 498 N PHE A 118 -11.459 -5.578 -2.931 1.00 0.00 N ATOM 499 CA PHE A 118 -12.349 -4.632 -2.289 1.00 0.00 C ATOM 500 C PHE A 118 -13.127 -5.284 -1.162 1.00 0.00 C ATOM 501 O PHE A 118 -13.487 -4.622 -0.175 1.00 0.00 O ATOM 502 CB PHE A 118 -13.308 -4.022 -3.312 1.00 0.00 C ATOM 503 CG PHE A 118 -12.624 -3.317 -4.451 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.175 -2.013 -4.312 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.434 -3.958 -5.662 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.549 -1.367 -5.361 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.811 -3.315 -6.711 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.370 -2.018 -6.561 1.00 0.00 C ATOM 0 H PHE A 118 -11.692 -5.770 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.738 -3.838 -1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.942 -4.812 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.964 -3.316 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.316 -1.496 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.778 -4.974 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.200 -0.352 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.669 -3.828 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.885 -1.513 -7.383 1.00 0.00 H new ATOM 518 N LYS A 119 -13.350 -6.581 -1.287 1.00 0.00 N ATOM 519 CA LYS A 119 -14.097 -7.319 -0.298 1.00 0.00 C ATOM 520 C LYS A 119 -13.278 -7.530 0.964 1.00 0.00 C ATOM 521 O LYS A 119 -13.800 -7.406 2.069 1.00 0.00 O ATOM 522 CB LYS A 119 -14.599 -8.631 -0.867 1.00 0.00 C ATOM 523 CG LYS A 119 -15.505 -8.463 -2.083 1.00 0.00 C ATOM 524 CD LYS A 119 -16.762 -7.669 -1.761 1.00 0.00 C ATOM 525 CE LYS A 119 -17.671 -7.559 -2.974 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.845 -6.705 -2.706 1.00 0.00 N ATOM 0 H LYS A 119 -13.019 -7.143 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.969 -6.727 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.744 -9.248 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -15.143 -9.170 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.954 -7.960 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.786 -9.445 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.299 -8.150 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.487 -6.672 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.109 -7.150 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.005 -8.554 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.440 -6.655 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.396 -7.109 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.527 -5.749 -2.450 1.00 0.00 H new ATOM 540 N ARG A 120 -11.979 -7.813 0.815 1.00 0.00 N ATOM 541 CA ARG A 120 -11.121 -7.950 2.002 1.00 0.00 C ATOM 542 C ARG A 120 -10.708 -6.568 2.477 1.00 0.00 C ATOM 543 O ARG A 120 -10.129 -6.418 3.557 1.00 0.00 O ATOM 544 CB ARG A 120 -9.811 -8.684 1.700 1.00 0.00 C ATOM 545 CG ARG A 120 -9.890 -10.050 1.075 1.00 0.00 C ATOM 546 CD ARG A 120 -8.476 -10.593 0.907 1.00 0.00 C ATOM 547 NE ARG A 120 -8.393 -11.755 0.015 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.250 -12.390 -0.297 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.140 -12.149 0.393 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.234 -13.292 -1.273 1.00 0.00 N ATOM 0 H ARG A 120 -11.510 -7.948 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.700 -8.508 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.218 -8.050 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.258 -8.777 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.480 -10.719 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.391 -9.995 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.836 -9.801 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.083 -10.869 1.886 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.259 -12.104 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.153 -11.480 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.275 -12.633 0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.090 -13.503 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.366 -13.773 -1.509 1.00 0.00 H new ATOM 564 N GLU A 121 -11.035 -5.562 1.653 1.00 0.00 N ATOM 565 CA GLU A 121 -10.656 -4.162 1.848 1.00 0.00 C ATOM 566 C GLU A 121 -9.117 -4.048 1.820 1.00 0.00 C ATOM 567 O GLU A 121 -8.521 -3.118 2.366 1.00 0.00 O ATOM 568 CB GLU A 121 -11.234 -3.614 3.168 1.00 0.00 C ATOM 569 CG GLU A 121 -11.094 -2.104 3.335 1.00 0.00 C ATOM 570 CD GLU A 121 -11.493 -1.624 4.693 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.702 -1.417 4.924 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.604 -1.418 5.553 1.00 0.00 O ATOM 0 H GLU A 121 -11.587 -5.708 0.808 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.072 -3.558 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.290 -3.878 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.736 -4.108 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.060 -1.818 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.706 -1.603 2.585 1.00 0.00 H new ATOM 579 N THR A 122 -8.479 -4.961 1.142 1.00 0.00 N ATOM 580 CA THR A 122 -7.056 -4.979 1.121 1.00 0.00 C ATOM 581 C THR A 122 -6.533 -4.966 -0.299 1.00 0.00 C ATOM 582 O THR A 122 -7.261 -5.248 -1.242 1.00 0.00 O ATOM 583 CB THR A 122 -6.483 -6.188 1.893 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.926 -7.422 1.305 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.903 -6.163 3.353 1.00 0.00 C ATOM 0 H THR A 122 -8.928 -5.699 0.599 1.00 0.00 H new ATOM 0 HA THR A 122 -6.719 -4.073 1.625 1.00 0.00 H new ATOM 0 HB THR A 122 -5.397 -6.120 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.468 -8.173 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.483 -7.027 3.867 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.537 -5.249 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.991 -6.195 3.419 1.00 0.00 H new ATOM 593 N CYS A 123 -5.303 -4.617 -0.442 1.00 0.00 N ATOM 594 CA CYS A 123 -4.667 -4.552 -1.707 1.00 0.00 C ATOM 595 C CYS A 123 -3.212 -4.896 -1.576 1.00 0.00 C ATOM 596 O CYS A 123 -2.619 -4.696 -0.530 1.00 0.00 O ATOM 597 CB CYS A 123 -4.841 -3.167 -2.285 1.00 0.00 C ATOM 598 SG CYS A 123 -4.404 -1.850 -1.143 1.00 0.00 S ATOM 0 H CYS A 123 -4.697 -4.363 0.338 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.125 -5.276 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.228 -3.077 -3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.878 -3.039 -2.594 1.00 0.00 H new ATOM 0 HG CYS A 123 -5.287 -1.791 -0.191 1.00 0.00 H new ATOM 604 N VAL A 124 -2.656 -5.408 -2.623 1.00 0.00 N ATOM 605 CA VAL A 124 -1.273 -5.778 -2.651 1.00 0.00 C ATOM 606 C VAL A 124 -0.504 -4.643 -3.259 1.00 0.00 C ATOM 607 O VAL A 124 -0.892 -4.124 -4.320 1.00 0.00 O ATOM 608 CB VAL A 124 -1.049 -7.061 -3.495 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.427 -7.446 -3.529 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.896 -8.205 -2.956 1.00 0.00 C ATOM 0 H VAL A 124 -3.152 -5.585 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.936 -5.984 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.361 -6.854 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.554 -8.348 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.005 -6.634 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.778 -7.631 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.728 -9.098 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.618 -8.408 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.950 -7.930 -3.001 1.00 0.00 H new ATOM 620 N VAL A 125 0.555 -4.251 -2.614 1.00 0.00 N ATOM 621 CA VAL A 125 1.363 -3.176 -3.083 1.00 0.00 C ATOM 622 C VAL A 125 2.755 -3.672 -3.346 1.00 0.00 C ATOM 623 O VAL A 125 3.221 -4.621 -2.713 1.00 0.00 O ATOM 624 CB VAL A 125 1.441 -2.017 -2.053 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.060 -1.465 -1.741 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.170 -2.458 -0.775 1.00 0.00 C ATOM 0 H VAL A 125 0.880 -4.673 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 125 0.904 -2.798 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 125 2.023 -1.212 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.147 -0.655 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.396 -1.087 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.563 -2.257 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.209 -1.625 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.635 -3.292 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.184 -2.770 -1.024 1.00 0.00 H new ATOM 636 N VAL A 126 3.380 -3.079 -4.302 1.00 0.00 N ATOM 637 CA VAL A 126 4.733 -3.372 -4.624 1.00 0.00 C ATOM 638 C VAL A 126 5.560 -2.192 -4.222 1.00 0.00 C ATOM 639 O VAL A 126 5.350 -1.086 -4.731 1.00 0.00 O ATOM 640 CB VAL A 126 4.931 -3.631 -6.128 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.399 -3.913 -6.429 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.067 -4.785 -6.584 1.00 0.00 C ATOM 0 H VAL A 126 2.958 -2.363 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 126 5.029 -4.278 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 126 4.630 -2.738 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.523 -4.094 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.002 -3.054 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.722 -4.792 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.219 -4.955 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.339 -5.684 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.019 -4.549 -6.400 1.00 0.00 H new ATOM 652 N TYR A 127 6.467 -2.407 -3.317 1.00 0.00 N ATOM 653 CA TYR A 127 7.319 -1.357 -2.842 1.00 0.00 C ATOM 654 C TYR A 127 8.302 -0.985 -3.915 1.00 0.00 C ATOM 655 O TYR A 127 9.103 -1.829 -4.388 1.00 0.00 O ATOM 656 CB TYR A 127 8.052 -1.759 -1.592 1.00 0.00 C ATOM 657 CG TYR A 127 7.171 -2.092 -0.414 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.739 -1.102 0.456 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.818 -3.402 -0.142 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.978 -1.412 1.562 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.079 -3.721 0.954 1.00 0.00 C ATOM 662 CZ TYR A 127 5.655 -2.727 1.808 1.00 0.00 C ATOM 663 OH TYR A 127 4.953 -3.063 2.937 1.00 0.00 O ATOM 0 H TYR A 127 6.638 -3.316 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 127 6.694 -0.498 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.675 -2.625 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.723 -0.949 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.003 -0.073 0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.136 -4.186 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.639 -0.632 2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.825 -4.751 1.154 1.00 0.00 H new ATOM 0 HH TYR A 127 4.558 -2.256 3.329 1.00 0.00 H new ATOM 673 N THR A 128 8.246 0.243 -4.288 1.00 0.00 N ATOM 674 CA THR A 128 9.024 0.769 -5.344 1.00 0.00 C ATOM 675 C THR A 128 10.513 0.763 -5.001 1.00 0.00 C ATOM 676 O THR A 128 10.912 1.154 -3.903 1.00 0.00 O ATOM 677 CB THR A 128 8.557 2.189 -5.668 1.00 0.00 C ATOM 678 OG1 THR A 128 7.134 2.161 -5.939 1.00 0.00 O ATOM 679 CG2 THR A 128 9.298 2.714 -6.878 1.00 0.00 C ATOM 0 H THR A 128 7.635 0.931 -3.849 1.00 0.00 H new ATOM 0 HA THR A 128 8.887 0.133 -6.219 1.00 0.00 H new ATOM 0 HB THR A 128 8.761 2.845 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.706 2.939 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.959 3.726 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.368 2.727 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.101 2.068 -7.734 1.00 0.00 H new ATOM 687 N GLY A 129 11.313 0.270 -5.931 1.00 0.00 N ATOM 688 CA GLY A 129 12.741 0.238 -5.759 1.00 0.00 C ATOM 689 C GLY A 129 13.210 -1.066 -5.176 1.00 0.00 C ATOM 690 O GLY A 129 14.368 -1.438 -5.324 1.00 0.00 O ATOM 0 H GLY A 129 10.987 -0.115 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.226 0.400 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.046 1.057 -5.107 1.00 0.00 H new ATOM 694 N TYR A 130 12.313 -1.763 -4.528 1.00 0.00 N ATOM 695 CA TYR A 130 12.646 -3.014 -3.887 1.00 0.00 C ATOM 696 C TYR A 130 12.062 -4.193 -4.638 1.00 0.00 C ATOM 697 O TYR A 130 12.717 -5.218 -4.816 1.00 0.00 O ATOM 698 CB TYR A 130 12.144 -3.011 -2.456 1.00 0.00 C ATOM 699 CG TYR A 130 12.679 -1.865 -1.635 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.962 -1.900 -1.129 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.892 -0.754 -1.354 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.457 -0.866 -0.364 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.378 0.287 -0.593 1.00 0.00 C ATOM 704 CZ TYR A 130 13.663 0.224 -0.097 1.00 0.00 C ATOM 705 OH TYR A 130 14.163 1.263 0.664 1.00 0.00 O ATOM 0 H TYR A 130 11.337 -1.484 -4.428 1.00 0.00 H new ATOM 0 HA TYR A 130 13.731 -3.117 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 130 11.055 -2.967 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.423 -3.951 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.590 -2.754 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.884 -0.706 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.464 -0.912 0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.757 1.146 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 130 13.552 1.447 1.408 1.00 0.00 H new ATOM 715 N GLY A 131 10.821 -4.059 -5.052 1.00 0.00 N ATOM 716 CA GLY A 131 10.177 -5.124 -5.787 1.00 0.00 C ATOM 717 C GLY A 131 9.379 -6.037 -4.887 1.00 0.00 C ATOM 718 O GLY A 131 8.800 -7.023 -5.341 1.00 0.00 O ATOM 0 H GLY A 131 10.244 -3.233 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.519 -4.695 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.932 -5.706 -6.315 1.00 0.00 H new ATOM 722 N ASN A 132 9.343 -5.714 -3.615 1.00 0.00 N ATOM 723 CA ASN A 132 8.585 -6.503 -2.650 1.00 0.00 C ATOM 724 C ASN A 132 7.133 -6.235 -2.806 1.00 0.00 C ATOM 725 O ASN A 132 6.742 -5.138 -3.177 1.00 0.00 O ATOM 726 CB ASN A 132 8.953 -6.181 -1.213 1.00 0.00 C ATOM 727 CG ASN A 132 10.223 -6.812 -0.709 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.165 -7.082 -1.454 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.269 -7.013 0.577 1.00 0.00 N ATOM 0 H ASN A 132 9.828 -4.910 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 132 8.826 -7.547 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.042 -5.099 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.132 -6.494 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.108 -7.408 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.466 -6.775 1.159 1.00 0.00 H new ATOM 736 N ARG A 133 6.342 -7.201 -2.505 1.00 0.00 N ATOM 737 CA ARG A 133 4.928 -7.053 -2.592 1.00 0.00 C ATOM 738 C ARG A 133 4.292 -7.633 -1.360 1.00 0.00 C ATOM 739 O ARG A 133 4.701 -8.697 -0.889 1.00 0.00 O ATOM 740 CB ARG A 133 4.386 -7.664 -3.914 1.00 0.00 C ATOM 741 CG ARG A 133 4.663 -9.150 -4.144 1.00 0.00 C ATOM 742 CD ARG A 133 3.654 -10.056 -3.451 1.00 0.00 C ATOM 743 NE ARG A 133 3.939 -11.477 -3.678 1.00 0.00 N ATOM 744 CZ ARG A 133 3.017 -12.447 -3.699 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.742 -12.159 -3.477 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.376 -13.707 -3.926 1.00 0.00 N ATOM 0 H ARG A 133 6.654 -8.120 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 133 4.664 -5.996 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.307 -7.510 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.811 -7.105 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.652 -9.355 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.664 -9.388 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.660 -9.852 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.652 -9.826 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 133 4.911 -11.746 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.462 -11.196 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.041 -12.900 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.357 -13.937 -4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.670 -14.443 -3.941 1.00 0.00 H new ATOM 760 N GLU A 134 3.358 -6.927 -0.815 1.00 0.00 N ATOM 761 CA GLU A 134 2.669 -7.359 0.365 1.00 0.00 C ATOM 762 C GLU A 134 1.311 -6.726 0.405 1.00 0.00 C ATOM 763 O GLU A 134 1.057 -5.752 -0.318 1.00 0.00 O ATOM 764 CB GLU A 134 3.455 -7.132 1.647 1.00 0.00 C ATOM 765 CG GLU A 134 3.400 -5.781 2.220 1.00 0.00 C ATOM 766 CD GLU A 134 4.210 -5.709 3.486 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.319 -6.312 3.561 1.00 0.00 O ATOM 768 OE2 GLU A 134 3.741 -5.085 4.454 1.00 0.00 O ATOM 0 H GLU A 134 3.045 -6.026 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 134 2.555 -8.442 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.094 -7.836 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.499 -7.379 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.779 -5.058 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.365 -5.510 2.428 1.00 0.00 H new ATOM 775 N GLU A 135 0.431 -7.302 1.152 1.00 0.00 N ATOM 776 CA GLU A 135 -0.908 -6.850 1.190 1.00 0.00 C ATOM 777 C GLU A 135 -1.116 -5.854 2.342 1.00 0.00 C ATOM 778 O GLU A 135 -0.639 -6.051 3.476 1.00 0.00 O ATOM 779 CB GLU A 135 -1.836 -8.031 1.329 1.00 0.00 C ATOM 780 CG GLU A 135 -3.238 -7.738 0.871 1.00 0.00 C ATOM 781 CD GLU A 135 -4.161 -8.914 0.987 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.211 -9.738 0.059 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.900 -9.006 1.983 1.00 0.00 O ATOM 0 H GLU A 135 0.626 -8.102 1.754 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.133 -6.330 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.439 -8.867 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.860 -8.346 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.639 -6.912 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.211 -7.408 -0.167 1.00 0.00 H new ATOM 790 N GLN A 136 -1.818 -4.812 2.024 1.00 0.00 N ATOM 791 CA GLN A 136 -2.168 -3.706 2.908 1.00 0.00 C ATOM 792 C GLN A 136 -3.634 -3.470 2.822 1.00 0.00 C ATOM 793 O GLN A 136 -4.276 -3.957 1.916 1.00 0.00 O ATOM 794 CB GLN A 136 -1.508 -2.395 2.505 1.00 0.00 C ATOM 795 CG GLN A 136 -0.191 -2.044 3.145 1.00 0.00 C ATOM 796 CD GLN A 136 0.937 -2.933 2.746 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.917 -3.535 1.709 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.978 -2.908 3.492 1.00 0.00 N ATOM 0 H GLN A 136 -2.194 -4.688 1.084 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.833 -3.987 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.361 -2.413 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.209 -1.588 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.063 -1.016 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.304 -2.083 4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.965 -2.387 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.820 -3.409 3.209 1.00 0.00 H new ATOM 807 N ASN A 137 -4.160 -2.731 3.738 1.00 0.00 N ATOM 808 CA ASN A 137 -5.576 -2.390 3.701 1.00 0.00 C ATOM 809 C ASN A 137 -5.732 -1.120 2.907 1.00 0.00 C ATOM 810 O ASN A 137 -4.848 -0.273 2.929 1.00 0.00 O ATOM 811 CB ASN A 137 -6.175 -2.163 5.098 1.00 0.00 C ATOM 812 CG ASN A 137 -5.988 -3.328 6.044 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.802 -4.252 6.085 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.954 -3.274 6.834 1.00 0.00 N ATOM 0 H ASN A 137 -3.647 -2.342 4.529 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.106 -3.229 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.720 -1.275 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.241 -1.958 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.795 -4.014 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.303 -2.492 6.769 1.00 0.00 H new ATOM 821 N LEU A 138 -6.840 -0.980 2.215 1.00 0.00 N ATOM 822 CA LEU A 138 -7.139 0.228 1.430 1.00 0.00 C ATOM 823 C LEU A 138 -7.203 1.448 2.341 1.00 0.00 C ATOM 824 O LEU A 138 -6.820 2.557 1.967 1.00 0.00 O ATOM 825 CB LEU A 138 -8.477 0.058 0.709 1.00 0.00 C ATOM 826 CG LEU A 138 -8.550 -1.081 -0.304 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.981 -1.305 -0.740 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.693 -0.769 -1.510 1.00 0.00 C ATOM 0 H LEU A 138 -7.569 -1.692 2.171 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.346 0.374 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.254 -0.098 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.712 0.990 0.195 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.176 -1.988 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.018 -2.120 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.590 -1.561 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.368 -0.395 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.756 -1.591 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.047 0.148 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.657 -0.639 -1.196 1.00 0.00 H new ATOM 840 N SER A 139 -7.680 1.224 3.540 1.00 0.00 N ATOM 841 CA SER A 139 -7.772 2.204 4.526 1.00 0.00 C ATOM 842 C SER A 139 -6.380 2.566 5.061 1.00 0.00 C ATOM 843 O SER A 139 -6.120 3.711 5.430 1.00 0.00 O ATOM 844 CB SER A 139 -8.609 1.612 5.607 1.00 0.00 C ATOM 845 OG SER A 139 -9.829 1.105 5.074 1.00 0.00 O ATOM 0 H SER A 139 -8.021 0.311 3.841 1.00 0.00 H new ATOM 0 HA SER A 139 -8.209 3.123 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.061 0.810 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.822 2.367 6.364 1.00 0.00 H new ATOM 0 HG SER A 139 -10.082 0.289 5.555 1.00 0.00 H new ATOM 851 N ASP A 140 -5.494 1.597 5.030 1.00 0.00 N ATOM 852 CA ASP A 140 -4.147 1.712 5.587 1.00 0.00 C ATOM 853 C ASP A 140 -3.163 2.317 4.639 1.00 0.00 C ATOM 854 O ASP A 140 -2.061 2.670 5.045 1.00 0.00 O ATOM 855 CB ASP A 140 -3.631 0.366 6.058 1.00 0.00 C ATOM 856 CG ASP A 140 -4.062 0.032 7.443 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.151 -0.489 7.626 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.292 0.273 8.389 1.00 0.00 O ATOM 0 H ASP A 140 -5.683 0.686 4.611 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.240 2.389 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.981 -0.410 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.542 0.364 6.011 1.00 0.00 H new ATOM 863 N LEU A 141 -3.519 2.390 3.389 1.00 0.00 N ATOM 864 CA LEU A 141 -2.666 3.019 2.396 1.00 0.00 C ATOM 865 C LEU A 141 -2.562 4.502 2.633 1.00 0.00 C ATOM 866 O LEU A 141 -3.502 5.141 3.110 1.00 0.00 O ATOM 867 CB LEU A 141 -3.180 2.799 0.990 1.00 0.00 C ATOM 868 CG LEU A 141 -3.240 1.379 0.482 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.680 1.388 -0.958 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.896 0.703 0.625 1.00 0.00 C ATOM 0 H LEU A 141 -4.397 2.023 3.022 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.685 2.554 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.184 3.220 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.552 3.373 0.309 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.960 0.815 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.725 0.365 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.666 1.846 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.967 1.960 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.962 -0.319 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.150 1.251 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.606 0.689 1.676 1.00 0.00 H new ATOM 882 N LEU A 142 -1.436 5.045 2.312 1.00 0.00 N ATOM 883 CA LEU A 142 -1.230 6.451 2.447 1.00 0.00 C ATOM 884 C LEU A 142 -0.863 7.017 1.103 1.00 0.00 C ATOM 885 O LEU A 142 -0.488 6.266 0.198 1.00 0.00 O ATOM 886 CB LEU A 142 -0.121 6.784 3.471 1.00 0.00 C ATOM 887 CG LEU A 142 -0.299 6.253 4.904 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.163 4.810 5.037 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.402 7.146 5.901 1.00 0.00 C ATOM 0 H LEU A 142 -0.634 4.530 1.950 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.154 6.896 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.822 6.399 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.025 7.869 3.523 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.366 6.268 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.020 4.475 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.418 4.178 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.219 4.741 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.261 6.749 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.467 7.183 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.016 8.151 5.846 1.00 0.00 H new ATOM 901 N SER A 143 -0.968 8.313 0.974 1.00 0.00 N ATOM 902 CA SER A 143 -0.598 9.018 -0.227 1.00 0.00 C ATOM 903 C SER A 143 0.915 8.817 -0.438 1.00 0.00 C ATOM 904 O SER A 143 1.676 8.757 0.551 1.00 0.00 O ATOM 905 CB SER A 143 -0.962 10.514 -0.044 1.00 0.00 C ATOM 906 OG SER A 143 -0.639 11.309 -1.180 1.00 0.00 O ATOM 0 H SER A 143 -1.320 8.921 1.714 1.00 0.00 H new ATOM 0 HA SER A 143 -1.126 8.646 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.029 10.600 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.437 10.906 0.828 1.00 0.00 H new ATOM 0 HG SER A 143 -0.891 12.241 -1.010 1.00 0.00 H new ATOM 912 N PRO A 144 1.376 8.671 -1.692 1.00 0.00 N ATOM 913 CA PRO A 144 2.770 8.378 -1.980 1.00 0.00 C ATOM 914 C PRO A 144 3.703 9.483 -1.565 1.00 0.00 C ATOM 915 O PRO A 144 3.316 10.644 -1.437 1.00 0.00 O ATOM 916 CB PRO A 144 2.824 8.185 -3.477 1.00 0.00 C ATOM 917 CG PRO A 144 1.648 8.906 -3.992 1.00 0.00 C ATOM 918 CD PRO A 144 0.594 8.827 -2.922 1.00 0.00 C ATOM 0 HA PRO A 144 3.099 7.503 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 144 3.748 8.586 -3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 144 2.787 7.128 -3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 144 1.897 9.944 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 144 1.293 8.456 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.022 9.726 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -0.079 7.984 -3.081 1.00 0.00 H new ATOM 926 N ILE A 145 4.913 9.113 -1.378 1.00 0.00 N ATOM 927 CA ILE A 145 5.943 10.009 -0.927 1.00 0.00 C ATOM 928 C ILE A 145 7.010 10.121 -1.994 1.00 0.00 C ATOM 929 O ILE A 145 6.851 9.545 -3.072 1.00 0.00 O ATOM 930 CB ILE A 145 6.551 9.539 0.424 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.130 8.114 0.314 1.00 0.00 C ATOM 932 CG2 ILE A 145 5.487 9.606 1.523 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.817 7.631 1.578 1.00 0.00 C ATOM 0 H ILE A 145 5.237 8.159 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 145 5.504 10.992 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 145 7.373 10.207 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.325 7.423 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.843 8.085 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 145 5.918 9.275 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.133 10.632 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 145 4.651 8.958 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.198 6.622 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.645 8.298 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.103 7.626 2.401 1.00 0.00 H new ATOM 945 N CYS A 146 8.061 10.861 -1.722 1.00 0.00 N ATOM 946 CA CYS A 146 9.131 11.046 -2.689 1.00 0.00 C ATOM 947 C CYS A 146 9.865 9.728 -2.946 1.00 0.00 C ATOM 948 O CYS A 146 10.212 8.999 -2.003 1.00 0.00 O ATOM 949 CB CYS A 146 10.105 12.102 -2.190 1.00 0.00 C ATOM 950 SG CYS A 146 9.321 13.675 -1.742 1.00 0.00 S ATOM 0 H CYS A 146 8.202 11.348 -0.837 1.00 0.00 H new ATOM 0 HA CYS A 146 8.693 11.381 -3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 146 10.635 11.711 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 146 10.852 12.287 -2.962 1.00 0.00 H new ATOM 0 HG CYS A 146 10.228 14.509 -1.327 1.00 0.00 H new ATOM 956 N GLU A 147 10.069 9.432 -4.203 1.00 0.00 N ATOM 957 CA GLU A 147 10.736 8.230 -4.641 1.00 0.00 C ATOM 958 C GLU A 147 12.067 8.623 -5.255 1.00 0.00 C ATOM 959 O GLU A 147 12.129 8.879 -6.483 1.00 0.00 O ATOM 960 CB GLU A 147 9.868 7.500 -5.671 1.00 0.00 C ATOM 961 CG GLU A 147 8.546 6.995 -5.128 1.00 0.00 C ATOM 962 CD GLU A 147 7.615 6.535 -6.215 1.00 0.00 C ATOM 963 OE1 GLU A 147 7.731 5.403 -6.703 1.00 0.00 O ATOM 964 OE2 GLU A 147 6.733 7.310 -6.605 1.00 0.00 O ATOM 965 OXT GLU A 147 13.057 8.753 -4.503 1.00 0.00 O ATOM 0 H GLU A 147 9.769 10.033 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 147 10.901 7.559 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 147 9.671 8.173 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 147 10.430 6.655 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 147 8.731 6.170 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 147 8.066 7.788 -4.554 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 C1 DA2 A1148 9.809 -1.427 1.888 1.00 0.00 C HETATM 974 C2 DA2 A1148 10.093 -3.589 0.697 1.00 0.00 C HETATM 975 N DA2 A1148 13.818 -7.893 -1.167 1.00 0.00 N HETATM 976 CA DA2 A1148 14.329 -7.400 0.103 1.00 0.00 C HETATM 977 CB DA2 A1148 13.994 -5.907 0.282 1.00 0.00 C HETATM 978 CG DA2 A1148 14.267 -5.363 1.681 1.00 0.00 C HETATM 979 CD DA2 A1148 13.982 -3.883 1.773 1.00 0.00 C HETATM 980 NE DA2 A1148 12.598 -3.610 1.484 1.00 0.00 N HETATM 981 CZ DA2 A1148 11.893 -2.575 1.877 1.00 0.00 C HETATM 982 NH2 DA2 A1148 12.401 -1.630 2.617 1.00 0.00 N HETATM 983 NH1 DA2 A1148 10.652 -2.519 1.503 1.00 0.00 N HETATM 984 C DA2 A1148 13.726 -8.236 1.207 1.00 0.00 C HETATM 985 O DA2 A1148 14.469 -8.868 1.953 1.00 0.00 O HETATM 986 OXT DA2 A1148 12.488 -8.321 1.282 1.00 0.00 O HETATM 0 HNH2 DA2 A1148 12.257 -1.854 3.602 1.00 0.00 H new HETATM 0 HCG2 DA2 A1148 13.652 -5.897 2.405 1.00 0.00 H new HETATM 0 HCG1 DA2 A1148 15.307 -5.550 1.947 1.00 0.00 H new HETATM 0 HCD2 DA2 A1148 14.228 -3.522 2.772 1.00 0.00 H new HETATM 0 HCD1 DA2 A1148 14.618 -3.341 1.073 1.00 0.00 H new HETATM 0 HCB2 DA2 A1148 14.572 -5.329 -0.439 1.00 0.00 H new HETATM 0 HCB1 DA2 A1148 12.942 -5.752 0.044 1.00 0.00 H new HETATM 0 HC23 DA2 A1148 9.268 -4.057 1.235 1.00 0.00 H new HETATM 0 HC22 DA2 A1148 9.727 -3.181 -0.245 1.00 0.00 H new HETATM 0 HC21 DA2 A1148 10.863 -4.333 0.495 1.00 0.00 H new HETATM 0 HC13 DA2 A1148 9.430 -0.928 0.996 1.00 0.00 H new HETATM 0 HC12 DA2 A1148 8.972 -1.803 2.476 1.00 0.00 H new HETATM 0 HC11 DA2 A1148 10.382 -0.718 2.485 1.00 0.00 H new HETATM 0 HNE DA2 A1148 12.111 -4.298 0.910 1.00 0.00 H new HETATM 0 HN2 DA2 A1148 13.961 -8.868 -1.431 1.00 0.00 H new HETATM 0 HN1 DA2 A1148 13.316 -7.264 -1.794 1.00 0.00 H new HETATM 0 HCA DA2 A1148 15.415 -7.486 0.132 1.00 0.00 H new