USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 37 MET CE :methyl 141:sc= -0.436 (180deg=-2.32!) USER MOD Set 1.2: A 85 TYR OH : rot -57:sc= -0.884 USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.158) USER MOD Single : A 7 ASN : amide:sc= -2.03 K(o=-2,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -28:sc= 0.308 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.0089) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 25 GLN : amide:sc= -0.0638 K(o=-0.064,f=-1.7) USER MOD Single : A 28 ASN : amide:sc= -2.2 K(o=-2.2,f=-8.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 165:sc= -3.8 (180deg=-4.22!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.452 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.089) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -0.174 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.965 K(o=-0.96,f=-4.8!) USER MOD Single : A 72 GLN : amide:sc= -0.87 K(o=-0.87,f=-2.7!) USER MOD Single : A 75 ASN : amide:sc=-0.00876 K(o=-0.0088,f=-0.94) USER MOD Single : A 76 THR OG1 : rot -80:sc= 0.88 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.686) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.540 -12.142 -9.849 1.00 0.00 N ATOM 31 CA LEU A 3 -10.284 -11.935 -8.428 1.00 0.00 C ATOM 32 C LEU A 3 -11.086 -12.917 -7.581 1.00 0.00 C ATOM 33 O LEU A 3 -12.293 -12.755 -7.402 1.00 0.00 O ATOM 34 CB LEU A 3 -10.631 -10.498 -8.031 1.00 0.00 C ATOM 35 CG LEU A 3 -9.553 -9.460 -8.349 1.00 0.00 C ATOM 36 CD1 LEU A 3 -10.175 -8.085 -8.538 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.508 -9.426 -7.244 1.00 0.00 C ATOM 0 HA LEU A 3 -9.224 -12.110 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.552 -10.210 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.834 -10.472 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.063 -9.745 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.393 -7.360 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.888 -8.118 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.691 -7.790 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.748 -8.683 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.985 -9.164 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.041 -10.407 -7.155 1.00 0.00 H new ATOM 49 N LEU A 4 -10.407 -13.935 -7.064 1.00 0.00 N ATOM 50 CA LEU A 4 -11.058 -14.944 -6.235 1.00 0.00 C ATOM 51 C LEU A 4 -11.617 -14.322 -4.959 1.00 0.00 C ATOM 52 O LEU A 4 -11.218 -13.227 -4.562 1.00 0.00 O ATOM 53 CB LEU A 4 -10.069 -16.057 -5.882 1.00 0.00 C ATOM 54 CG LEU A 4 -10.680 -17.457 -5.783 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.850 -18.064 -7.167 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.816 -18.353 -4.909 1.00 0.00 C ATOM 0 H LEU A 4 -9.408 -14.084 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.886 -15.368 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.280 -16.073 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.597 -15.815 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.664 -17.372 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.286 -19.059 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.509 -17.432 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.878 -18.136 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.265 -19.345 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.819 -18.431 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.745 -17.926 -3.909 1.00 0.00 H new ATOM 68 N LYS A 5 -12.545 -15.028 -4.321 1.00 0.00 N ATOM 69 CA LYS A 5 -13.161 -14.546 -3.090 1.00 0.00 C ATOM 70 C LYS A 5 -12.124 -14.409 -1.981 1.00 0.00 C ATOM 71 O LYS A 5 -12.081 -13.399 -1.277 1.00 0.00 O ATOM 72 CB LYS A 5 -14.276 -15.495 -2.647 1.00 0.00 C ATOM 73 CG LYS A 5 -15.321 -14.835 -1.763 1.00 0.00 C ATOM 74 CD LYS A 5 -16.530 -14.388 -2.567 1.00 0.00 C ATOM 75 CE LYS A 5 -16.270 -13.070 -3.280 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.889 -13.275 -4.705 1.00 0.00 N ATOM 0 H LYS A 5 -12.887 -15.936 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.588 -13.563 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.766 -15.904 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.835 -16.334 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.636 -15.533 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.881 -13.975 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.785 -15.154 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.389 -14.281 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.163 -12.447 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.475 -12.530 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.479 -12.398 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.189 -14.041 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.733 -13.529 -5.257 1.00 0.00 H new ATOM 90 N ALA A 6 -11.287 -15.431 -1.829 1.00 0.00 N ATOM 91 CA ALA A 6 -10.250 -15.424 -0.806 1.00 0.00 C ATOM 92 C ALA A 6 -9.132 -14.452 -1.163 1.00 0.00 C ATOM 93 O ALA A 6 -8.693 -13.659 -0.328 1.00 0.00 O ATOM 94 CB ALA A 6 -9.690 -16.826 -0.614 1.00 0.00 C ATOM 0 H ALA A 6 -11.308 -16.274 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.700 -15.091 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.916 -16.807 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.490 -17.498 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.262 -17.179 -1.552 1.00 0.00 H new ATOM 100 N ASN A 7 -8.673 -14.516 -2.409 1.00 0.00 N ATOM 101 CA ASN A 7 -7.606 -13.641 -2.877 1.00 0.00 C ATOM 102 C ASN A 7 -8.016 -12.176 -2.767 1.00 0.00 C ATOM 103 O ASN A 7 -7.266 -11.347 -2.251 1.00 0.00 O ATOM 104 CB ASN A 7 -7.242 -13.973 -4.325 1.00 0.00 C ATOM 105 CG ASN A 7 -6.676 -15.373 -4.472 1.00 0.00 C ATOM 106 OD1 ASN A 7 -7.209 -16.194 -5.219 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.593 -15.652 -3.757 1.00 0.00 N ATOM 0 H ASN A 7 -9.024 -15.166 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.734 -13.804 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.129 -13.875 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.513 -13.249 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.169 -16.578 -3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.185 -14.940 -3.151 1.00 0.00 H new ATOM 114 N LYS A 8 -9.211 -11.863 -3.257 1.00 0.00 N ATOM 115 CA LYS A 8 -9.722 -10.498 -3.215 1.00 0.00 C ATOM 116 C LYS A 8 -9.920 -10.036 -1.775 1.00 0.00 C ATOM 117 O LYS A 8 -9.777 -8.853 -1.467 1.00 0.00 O ATOM 118 CB LYS A 8 -11.043 -10.401 -3.981 1.00 0.00 C ATOM 119 CG LYS A 8 -11.605 -8.991 -4.045 1.00 0.00 C ATOM 120 CD LYS A 8 -13.124 -8.995 -4.007 1.00 0.00 C ATOM 121 CE LYS A 8 -13.708 -7.902 -4.888 1.00 0.00 C ATOM 122 NZ LYS A 8 -15.086 -8.231 -5.344 1.00 0.00 N ATOM 0 H LYS A 8 -9.844 -12.537 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.988 -9.847 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.893 -10.770 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.776 -11.055 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.221 -8.407 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.264 -8.503 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.494 -9.966 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.463 -8.856 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.723 -6.962 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.065 -7.753 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.447 -7.460 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.069 -9.115 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.706 -8.348 -4.518 1.00 0.00 H new ATOM 136 N ASP A 9 -10.250 -10.979 -0.897 1.00 0.00 N ATOM 137 CA ASP A 9 -10.469 -10.668 0.511 1.00 0.00 C ATOM 138 C ASP A 9 -9.161 -10.275 1.192 1.00 0.00 C ATOM 139 O ASP A 9 -9.152 -9.467 2.120 1.00 0.00 O ATOM 140 CB ASP A 9 -11.089 -11.868 1.229 1.00 0.00 C ATOM 141 CG ASP A 9 -12.606 -11.839 1.198 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.173 -11.618 0.107 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.225 -12.036 2.264 1.00 0.00 O ATOM 0 H ASP A 9 -10.371 -11.963 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.156 -9.823 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.736 -12.788 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.750 -11.884 2.265 1.00 0.00 H new ATOM 148 N LEU A 10 -8.060 -10.852 0.722 1.00 0.00 N ATOM 149 CA LEU A 10 -6.747 -10.563 1.284 1.00 0.00 C ATOM 150 C LEU A 10 -6.306 -9.145 0.934 1.00 0.00 C ATOM 151 O LEU A 10 -5.852 -8.394 1.797 1.00 0.00 O ATOM 152 CB LEU A 10 -5.723 -11.577 0.768 1.00 0.00 C ATOM 153 CG LEU A 10 -5.207 -12.563 1.814 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.147 -13.473 1.213 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.651 -11.818 3.019 1.00 0.00 C ATOM 0 H LEU A 10 -8.052 -11.522 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.812 -10.641 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.172 -12.140 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.874 -11.034 0.352 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.041 -13.181 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.791 -14.169 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.576 -14.032 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.313 -12.871 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.288 -12.536 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.829 -11.176 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.437 -11.208 3.464 1.00 0.00 H new ATOM 167 N ILE A 11 -6.444 -8.786 -0.338 1.00 0.00 N ATOM 168 CA ILE A 11 -6.060 -7.458 -0.803 1.00 0.00 C ATOM 169 C ILE A 11 -7.021 -6.396 -0.281 1.00 0.00 C ATOM 170 O ILE A 11 -6.617 -5.271 0.014 1.00 0.00 O ATOM 171 CB ILE A 11 -6.021 -7.389 -2.342 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.201 -8.551 -2.906 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.447 -6.056 -2.798 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.118 -8.555 -4.417 1.00 0.00 C ATOM 0 H ILE A 11 -6.819 -9.396 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.060 -7.263 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.040 -7.472 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.192 -8.507 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.640 -9.491 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.426 -6.022 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.069 -5.244 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.434 -5.945 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.522 -9.406 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.121 -8.631 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.651 -7.631 -4.758 1.00 0.00 H new ATOM 186 N SER A 12 -8.295 -6.759 -0.170 1.00 0.00 N ATOM 187 CA SER A 12 -9.313 -5.835 0.317 1.00 0.00 C ATOM 188 C SER A 12 -8.962 -5.322 1.711 1.00 0.00 C ATOM 189 O SER A 12 -9.112 -4.136 2.002 1.00 0.00 O ATOM 190 CB SER A 12 -10.682 -6.518 0.342 1.00 0.00 C ATOM 191 OG SER A 12 -10.701 -7.590 1.269 1.00 0.00 O ATOM 0 H SER A 12 -8.647 -7.686 -0.411 1.00 0.00 H new ATOM 0 HA SER A 12 -9.351 -4.985 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.450 -5.791 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.925 -6.890 -0.654 1.00 0.00 H new ATOM 0 HG SER A 12 -9.797 -7.956 1.365 1.00 0.00 H new ATOM 197 N ALA A 13 -8.492 -6.224 2.566 1.00 0.00 N ATOM 198 CA ALA A 13 -8.117 -5.861 3.927 1.00 0.00 C ATOM 199 C ALA A 13 -7.007 -4.814 3.924 1.00 0.00 C ATOM 200 O ALA A 13 -7.083 -3.813 4.635 1.00 0.00 O ATOM 201 CB ALA A 13 -7.679 -7.095 4.701 1.00 0.00 C ATOM 0 H ALA A 13 -8.362 -7.210 2.341 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.990 -5.430 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.402 -6.809 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.499 -7.812 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.821 -7.550 4.205 1.00 0.00 H new ATOM 207 N GLY A 14 -5.980 -5.053 3.115 1.00 0.00 N ATOM 208 CA GLY A 14 -4.871 -4.122 3.030 1.00 0.00 C ATOM 209 C GLY A 14 -5.268 -2.808 2.386 1.00 0.00 C ATOM 210 O GLY A 14 -4.758 -1.750 2.753 1.00 0.00 O ATOM 0 H GLY A 14 -5.896 -5.875 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.483 -3.931 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.063 -4.575 2.456 1.00 0.00 H new ATOM 214 N LEU A 15 -6.181 -2.876 1.421 1.00 0.00 N ATOM 215 CA LEU A 15 -6.647 -1.684 0.721 1.00 0.00 C ATOM 216 C LEU A 15 -7.236 -0.673 1.701 1.00 0.00 C ATOM 217 O LEU A 15 -6.928 0.517 1.640 1.00 0.00 O ATOM 218 CB LEU A 15 -7.689 -2.063 -0.334 1.00 0.00 C ATOM 219 CG LEU A 15 -7.370 -1.591 -1.754 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.458 -2.036 -2.720 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.210 -0.078 -1.789 1.00 0.00 C ATOM 0 H LEU A 15 -6.613 -3.745 1.106 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.792 -1.224 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.797 -3.148 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.653 -1.649 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.428 -2.043 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.215 -1.692 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.526 -3.124 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.414 -1.612 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.983 0.240 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.136 0.393 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.396 0.217 -1.127 1.00 0.00 H new ATOM 233 N LYS A 16 -8.085 -1.156 2.603 1.00 0.00 N ATOM 234 CA LYS A 16 -8.717 -0.295 3.595 1.00 0.00 C ATOM 235 C LYS A 16 -7.697 0.201 4.615 1.00 0.00 C ATOM 236 O LYS A 16 -7.806 1.315 5.126 1.00 0.00 O ATOM 237 CB LYS A 16 -9.845 -1.045 4.307 1.00 0.00 C ATOM 238 CG LYS A 16 -9.383 -2.310 5.012 1.00 0.00 C ATOM 239 CD LYS A 16 -10.390 -2.764 6.056 1.00 0.00 C ATOM 240 CE LYS A 16 -10.119 -2.122 7.407 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.508 -3.014 8.534 1.00 0.00 N ATOM 0 H LYS A 16 -8.351 -2.139 2.667 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.134 0.568 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.308 -0.381 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.614 -1.305 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.234 -3.103 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.419 -2.131 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.397 -2.509 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.351 -3.849 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.060 -1.877 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.669 -1.184 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.307 -2.540 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.524 -3.227 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.965 -3.899 8.480 1.00 0.00 H new ATOM 255 N GLU A 17 -6.706 -0.636 4.907 1.00 0.00 N ATOM 256 CA GLU A 17 -5.667 -0.282 5.867 1.00 0.00 C ATOM 257 C GLU A 17 -4.909 0.963 5.417 1.00 0.00 C ATOM 258 O GLU A 17 -4.564 1.819 6.230 1.00 0.00 O ATOM 259 CB GLU A 17 -4.693 -1.449 6.047 1.00 0.00 C ATOM 260 CG GLU A 17 -4.182 -1.601 7.470 1.00 0.00 C ATOM 261 CD GLU A 17 -3.400 -2.882 7.675 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.031 -3.957 7.753 1.00 0.00 O ATOM 263 OE2 GLU A 17 -2.155 -2.812 7.756 1.00 0.00 O ATOM 0 H GLU A 17 -6.601 -1.562 4.493 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.147 -0.066 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.187 -2.373 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.844 -1.309 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.548 -0.749 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.026 -1.581 8.159 1.00 0.00 H new ATOM 270 N PHE A 18 -4.655 1.057 4.116 1.00 0.00 N ATOM 271 CA PHE A 18 -3.939 2.199 3.558 1.00 0.00 C ATOM 272 C PHE A 18 -4.820 3.443 3.550 1.00 0.00 C ATOM 273 O PHE A 18 -4.338 4.558 3.756 1.00 0.00 O ATOM 274 CB PHE A 18 -3.465 1.884 2.137 1.00 0.00 C ATOM 275 CG PHE A 18 -2.102 2.435 1.825 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.939 3.775 1.508 1.00 0.00 C ATOM 277 CD2 PHE A 18 -0.987 1.614 1.847 1.00 0.00 C ATOM 278 CE1 PHE A 18 -0.686 4.284 1.220 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.268 2.117 1.560 1.00 0.00 C ATOM 280 CZ PHE A 18 0.418 3.454 1.247 1.00 0.00 C ATOM 0 H PHE A 18 -4.934 0.357 3.429 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.071 2.396 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.452 0.803 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.184 2.289 1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.799 4.428 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.099 0.568 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.571 5.329 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.130 1.466 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.398 3.850 1.024 1.00 0.00 H new ATOM 290 N SER A 19 -6.112 3.246 3.308 1.00 0.00 N ATOM 291 CA SER A 19 -7.060 4.354 3.273 1.00 0.00 C ATOM 292 C SER A 19 -7.152 5.036 4.634 1.00 0.00 C ATOM 293 O SER A 19 -7.033 6.257 4.737 1.00 0.00 O ATOM 294 CB SER A 19 -8.441 3.857 2.844 1.00 0.00 C ATOM 295 OG SER A 19 -9.165 4.876 2.175 1.00 0.00 O ATOM 0 H SER A 19 -6.526 2.330 3.133 1.00 0.00 H new ATOM 0 HA SER A 19 -6.702 5.083 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.332 2.993 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.999 3.525 3.719 1.00 0.00 H new ATOM 0 HG SER A 19 -10.044 4.533 1.910 1.00 0.00 H new ATOM 301 N VAL A 20 -7.367 4.239 5.676 1.00 0.00 N ATOM 302 CA VAL A 20 -7.476 4.766 7.031 1.00 0.00 C ATOM 303 C VAL A 20 -6.148 5.352 7.499 1.00 0.00 C ATOM 304 O VAL A 20 -6.100 6.449 8.055 1.00 0.00 O ATOM 305 CB VAL A 20 -7.932 3.675 8.021 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.839 2.640 8.246 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.365 4.299 9.340 1.00 0.00 C ATOM 0 H VAL A 20 -7.469 3.226 5.608 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.226 5.556 7.009 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.788 3.161 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.192 1.885 8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.588 2.164 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.954 3.128 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.684 3.514 10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.529 4.845 9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.193 4.985 9.163 1.00 0.00 H new ATOM 317 N LEU A 21 -5.074 4.608 7.268 1.00 0.00 N ATOM 318 CA LEU A 21 -3.739 5.045 7.663 1.00 0.00 C ATOM 319 C LEU A 21 -3.385 6.378 7.010 1.00 0.00 C ATOM 320 O LEU A 21 -2.720 7.218 7.614 1.00 0.00 O ATOM 321 CB LEU A 21 -2.701 3.987 7.282 1.00 0.00 C ATOM 322 CG LEU A 21 -1.370 4.087 8.031 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.521 3.580 9.457 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.289 3.308 7.298 1.00 0.00 C ATOM 0 H LEU A 21 -5.100 3.698 6.809 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.734 5.179 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.128 3.000 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.505 4.061 6.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.073 5.135 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.565 3.659 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.267 4.180 9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.840 2.538 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.651 3.389 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.579 2.260 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.163 3.716 6.295 1.00 0.00 H new ATOM 336 N LEU A 22 -3.836 6.565 5.774 1.00 0.00 N ATOM 337 CA LEU A 22 -3.566 7.795 5.040 1.00 0.00 C ATOM 338 C LEU A 22 -4.181 8.997 5.751 1.00 0.00 C ATOM 339 O LEU A 22 -3.577 10.066 5.821 1.00 0.00 O ATOM 340 CB LEU A 22 -4.114 7.695 3.615 1.00 0.00 C ATOM 341 CG LEU A 22 -3.187 7.006 2.613 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.937 6.676 1.331 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.979 7.882 2.315 1.00 0.00 C ATOM 0 H LEU A 22 -4.390 5.880 5.260 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.486 7.934 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.060 7.155 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.332 8.700 3.254 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.835 6.074 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.261 6.186 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.770 6.010 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.318 7.595 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.330 7.376 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.312 8.831 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.428 8.068 3.237 1.00 0.00 H new ATOM 355 N ASN A 23 -5.387 8.812 6.278 1.00 0.00 N ATOM 356 CA ASN A 23 -6.085 9.881 6.984 1.00 0.00 C ATOM 357 C ASN A 23 -5.281 10.350 8.194 1.00 0.00 C ATOM 358 O ASN A 23 -5.377 11.507 8.603 1.00 0.00 O ATOM 359 CB ASN A 23 -7.470 9.406 7.430 1.00 0.00 C ATOM 360 CG ASN A 23 -8.523 9.611 6.360 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.169 8.660 5.919 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.702 10.857 5.935 1.00 0.00 N ATOM 0 H ASN A 23 -5.901 7.932 6.230 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.199 10.721 6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.422 8.349 7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.763 9.944 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.397 11.055 5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.144 11.615 6.328 1.00 0.00 H new ATOM 369 N GLN A 24 -4.491 9.445 8.761 1.00 0.00 N ATOM 370 CA GLN A 24 -3.672 9.767 9.923 1.00 0.00 C ATOM 371 C GLN A 24 -2.661 10.861 9.592 1.00 0.00 C ATOM 372 O GLN A 24 -2.280 11.650 10.457 1.00 0.00 O ATOM 373 CB GLN A 24 -2.945 8.517 10.424 1.00 0.00 C ATOM 374 CG GLN A 24 -2.851 8.432 11.938 1.00 0.00 C ATOM 375 CD GLN A 24 -3.006 7.014 12.452 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.073 6.412 12.338 1.00 0.00 O ATOM 377 NE2 GLN A 24 -1.937 6.472 13.024 1.00 0.00 N ATOM 0 H GLN A 24 -4.401 8.483 8.435 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.331 10.134 10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.461 7.633 10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.939 8.500 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.889 8.829 12.262 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.621 9.062 12.382 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.072 7.007 13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.981 5.521 13.390 1.00 0.00 H new ATOM 386 N GLN A 25 -2.230 10.902 8.336 1.00 0.00 N ATOM 387 CA GLN A 25 -1.263 11.899 7.890 1.00 0.00 C ATOM 388 C GLN A 25 -1.796 13.311 8.111 1.00 0.00 C ATOM 389 O GLN A 25 -2.955 13.602 7.816 1.00 0.00 O ATOM 390 CB GLN A 25 -0.931 11.693 6.411 1.00 0.00 C ATOM 391 CG GLN A 25 -0.096 10.452 6.143 1.00 0.00 C ATOM 392 CD GLN A 25 1.372 10.658 6.458 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.909 11.751 6.281 1.00 0.00 O ATOM 394 NE2 GLN A 25 2.030 9.604 6.926 1.00 0.00 N ATOM 0 H GLN A 25 -2.535 10.256 7.608 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.355 11.776 8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.860 11.625 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.396 12.568 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.479 9.625 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.203 10.166 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.544 8.717 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.021 9.682 7.154 1.00 0.00 H new ATOM 403 N VAL A 26 -0.941 14.186 8.633 1.00 0.00 N ATOM 404 CA VAL A 26 -1.326 15.567 8.895 1.00 0.00 C ATOM 405 C VAL A 26 -0.839 16.493 7.785 1.00 0.00 C ATOM 406 O VAL A 26 -1.541 17.422 7.387 1.00 0.00 O ATOM 407 CB VAL A 26 -0.766 16.062 10.242 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.342 17.425 10.591 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.057 15.053 11.343 1.00 0.00 C ATOM 0 H VAL A 26 0.022 13.962 8.882 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.415 15.589 8.933 1.00 0.00 H new ATOM 0 HB VAL A 26 0.315 16.164 10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.935 17.758 11.546 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.077 18.142 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.427 17.353 10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.654 15.419 12.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.134 14.917 11.436 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.591 14.099 11.095 1.00 0.00 H new ATOM 419 N PHE A 27 0.370 16.230 7.290 1.00 0.00 N ATOM 420 CA PHE A 27 0.965 17.035 6.222 1.00 0.00 C ATOM 421 C PHE A 27 0.752 18.528 6.464 1.00 0.00 C ATOM 422 O PHE A 27 -0.237 19.105 6.012 1.00 0.00 O ATOM 423 CB PHE A 27 0.390 16.637 4.860 1.00 0.00 C ATOM 424 CG PHE A 27 -1.107 16.496 4.848 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.705 15.293 5.188 1.00 0.00 C ATOM 426 CD2 PHE A 27 -1.914 17.566 4.496 1.00 0.00 C ATOM 427 CE1 PHE A 27 -3.080 15.160 5.177 1.00 0.00 C ATOM 428 CE2 PHE A 27 -3.290 17.439 4.484 1.00 0.00 C ATOM 429 CZ PHE A 27 -3.875 16.235 4.824 1.00 0.00 C ATOM 0 H PHE A 27 0.959 15.463 7.613 1.00 0.00 H new ATOM 0 HA PHE A 27 2.037 16.840 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.681 17.384 4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.837 15.692 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.089 14.450 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.463 18.510 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.534 14.217 5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.908 18.281 4.209 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.950 16.133 4.814 1.00 0.00 H new ATOM 439 N ASN A 28 1.685 19.146 7.180 1.00 0.00 N ATOM 440 CA ASN A 28 1.598 20.570 7.482 1.00 0.00 C ATOM 441 C ASN A 28 2.914 21.092 8.052 1.00 0.00 C ATOM 442 O ASN A 28 3.361 22.185 7.705 1.00 0.00 O ATOM 443 CB ASN A 28 0.462 20.833 8.473 1.00 0.00 C ATOM 444 CG ASN A 28 0.590 20.000 9.733 1.00 0.00 C ATOM 445 OD1 ASN A 28 1.176 18.917 9.719 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.042 20.503 10.832 1.00 0.00 N ATOM 0 H ASN A 28 2.510 18.683 7.562 1.00 0.00 H new ATOM 0 HA ASN A 28 1.393 21.099 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.453 21.890 8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.492 20.617 7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.097 19.988 11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.434 21.404 10.798 1.00 0.00 H new ATOM 453 N ASP A 29 3.528 20.306 8.931 1.00 0.00 N ATOM 454 CA ASP A 29 4.792 20.692 9.549 1.00 0.00 C ATOM 455 C ASP A 29 5.848 19.633 9.376 1.00 0.00 C ATOM 456 O ASP A 29 6.547 19.283 10.328 1.00 0.00 O ATOM 457 CB ASP A 29 4.588 21.003 11.034 1.00 0.00 C ATOM 458 CG ASP A 29 5.758 21.759 11.632 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.852 21.734 11.030 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.581 22.375 12.704 1.00 0.00 O ATOM 0 H ASP A 29 3.171 19.399 9.231 1.00 0.00 H new ATOM 0 HA ASP A 29 5.142 21.591 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.678 21.590 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.443 20.071 11.581 1.00 0.00 H new ATOM 465 N PRO A 30 6.029 19.129 8.148 1.00 0.00 N ATOM 466 CA PRO A 30 7.057 18.155 7.907 1.00 0.00 C ATOM 467 C PRO A 30 8.399 18.847 7.758 1.00 0.00 C ATOM 468 O PRO A 30 8.594 19.688 6.880 1.00 0.00 O ATOM 469 CB PRO A 30 6.625 17.521 6.588 1.00 0.00 C ATOM 470 CG PRO A 30 5.923 18.621 5.861 1.00 0.00 C ATOM 471 CD PRO A 30 5.299 19.497 6.919 1.00 0.00 C ATOM 0 HA PRO A 30 7.173 17.428 8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.482 17.155 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.965 16.669 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.622 19.190 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.163 18.221 5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.417 20.555 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.230 19.309 7.016 1.00 0.00 H new ATOM 479 N LEU A 31 9.311 18.481 8.628 1.00 0.00 N ATOM 480 CA LEU A 31 10.655 19.047 8.629 1.00 0.00 C ATOM 481 C LEU A 31 11.593 18.226 7.749 1.00 0.00 C ATOM 482 O LEU A 31 12.508 18.765 7.128 1.00 0.00 O ATOM 483 CB LEU A 31 11.202 19.111 10.056 1.00 0.00 C ATOM 484 CG LEU A 31 10.873 20.395 10.819 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.597 21.582 10.203 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.371 20.635 10.833 1.00 0.00 C ATOM 0 H LEU A 31 9.151 17.785 9.356 1.00 0.00 H new ATOM 0 HA LEU A 31 10.597 20.057 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.810 18.263 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.285 18.996 10.019 1.00 0.00 H new ATOM 0 HG LEU A 31 11.214 20.281 11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.351 22.487 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.673 21.413 10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.287 21.699 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.154 21.553 11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.008 20.728 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.873 19.796 11.320 1.00 0.00 H new ATOM 498 N VAL A 32 11.357 16.918 7.701 1.00 0.00 N ATOM 499 CA VAL A 32 12.181 16.023 6.898 1.00 0.00 C ATOM 500 C VAL A 32 11.980 16.278 5.408 1.00 0.00 C ATOM 501 O VAL A 32 10.950 16.811 4.994 1.00 0.00 O ATOM 502 CB VAL A 32 11.865 14.546 7.201 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.868 13.633 6.512 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.854 14.300 8.703 1.00 0.00 C ATOM 0 H VAL A 32 10.603 16.456 8.208 1.00 0.00 H new ATOM 0 HA VAL A 32 13.219 16.227 7.162 1.00 0.00 H new ATOM 0 HB VAL A 32 10.873 14.318 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.629 12.594 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.823 13.790 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.872 13.860 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.629 13.251 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.831 14.545 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.094 14.927 9.169 1.00 0.00 H new ATOM 514 N SER A 33 12.969 15.894 4.609 1.00 0.00 N ATOM 515 CA SER A 33 12.901 16.081 3.164 1.00 0.00 C ATOM 516 C SER A 33 11.707 15.338 2.574 1.00 0.00 C ATOM 517 O SER A 33 11.236 14.352 3.140 1.00 0.00 O ATOM 518 CB SER A 33 14.193 15.599 2.505 1.00 0.00 C ATOM 519 OG SER A 33 15.145 16.646 2.416 1.00 0.00 O ATOM 0 H SER A 33 13.827 15.451 4.937 1.00 0.00 H new ATOM 0 HA SER A 33 12.776 17.146 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.611 14.772 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.975 15.216 1.508 1.00 0.00 H new ATOM 0 HG SER A 33 15.962 16.310 1.992 1.00 0.00 H new ATOM 525 N GLU A 34 11.223 15.817 1.433 1.00 0.00 N ATOM 526 CA GLU A 34 10.084 15.197 0.765 1.00 0.00 C ATOM 527 C GLU A 34 10.460 13.828 0.207 1.00 0.00 C ATOM 528 O GLU A 34 9.627 12.924 0.137 1.00 0.00 O ATOM 529 CB GLU A 34 9.573 16.097 -0.361 1.00 0.00 C ATOM 530 CG GLU A 34 10.635 16.448 -1.389 1.00 0.00 C ATOM 531 CD GLU A 34 11.267 17.803 -1.137 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.478 18.149 0.044 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.551 18.519 -2.121 1.00 0.00 O ATOM 0 H GLU A 34 11.602 16.633 0.951 1.00 0.00 H new ATOM 0 HA GLU A 34 9.291 15.064 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.743 15.600 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.179 17.017 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.411 15.682 -1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.189 16.439 -2.384 1.00 0.00 H new ATOM 540 N GLU A 35 11.720 13.683 -0.190 1.00 0.00 N ATOM 541 CA GLU A 35 12.207 12.425 -0.743 1.00 0.00 C ATOM 542 C GLU A 35 12.211 11.329 0.319 1.00 0.00 C ATOM 543 O GLU A 35 11.888 10.176 0.036 1.00 0.00 O ATOM 544 CB GLU A 35 13.616 12.604 -1.311 1.00 0.00 C ATOM 545 CG GLU A 35 13.634 13.020 -2.773 1.00 0.00 C ATOM 546 CD GLU A 35 15.032 13.034 -3.359 1.00 0.00 C ATOM 547 OE1 GLU A 35 15.798 12.086 -3.088 1.00 0.00 O ATOM 548 OE2 GLU A 35 15.361 13.993 -4.087 1.00 0.00 O ATOM 0 H GLU A 35 12.422 14.421 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 35 11.534 12.126 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.144 13.354 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.165 11.669 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.010 12.337 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.194 14.012 -2.870 1.00 0.00 H new ATOM 555 N ASP A 36 12.578 11.699 1.541 1.00 0.00 N ATOM 556 CA ASP A 36 12.623 10.748 2.646 1.00 0.00 C ATOM 557 C ASP A 36 11.250 10.148 2.910 1.00 0.00 C ATOM 558 O ASP A 36 11.131 9.035 3.420 1.00 0.00 O ATOM 559 CB ASP A 36 13.153 11.424 3.912 1.00 0.00 C ATOM 560 CG ASP A 36 14.658 11.297 4.049 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.382 11.907 3.236 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.111 10.585 4.971 1.00 0.00 O ATOM 0 H ASP A 36 12.849 12.650 1.792 1.00 0.00 H new ATOM 0 HA ASP A 36 13.300 9.941 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.880 12.479 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.673 10.982 4.785 1.00 0.00 H new ATOM 567 N MET A 37 10.220 10.898 2.557 1.00 0.00 N ATOM 568 CA MET A 37 8.844 10.455 2.749 1.00 0.00 C ATOM 569 C MET A 37 8.447 9.431 1.690 1.00 0.00 C ATOM 570 O MET A 37 7.621 8.554 1.941 1.00 0.00 O ATOM 571 CB MET A 37 7.891 11.650 2.701 1.00 0.00 C ATOM 572 CG MET A 37 6.435 11.277 2.931 1.00 0.00 C ATOM 573 SD MET A 37 6.046 11.039 4.675 1.00 0.00 S ATOM 574 CE MET A 37 6.526 12.629 5.349 1.00 0.00 C ATOM 0 H MET A 37 10.309 11.822 2.134 1.00 0.00 H new ATOM 0 HA MET A 37 8.775 9.982 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.195 12.377 3.455 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.983 12.139 1.731 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.795 12.059 2.524 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.208 10.362 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.809 12.932 6.112 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.518 12.551 5.794 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.543 13.372 4.552 1.00 0.00 H new ATOM 584 N VAL A 38 9.040 9.548 0.507 1.00 0.00 N ATOM 585 CA VAL A 38 8.747 8.634 -0.590 1.00 0.00 C ATOM 586 C VAL A 38 9.298 7.240 -0.305 1.00 0.00 C ATOM 587 O VAL A 38 8.632 6.235 -0.555 1.00 0.00 O ATOM 588 CB VAL A 38 9.331 9.143 -1.921 1.00 0.00 C ATOM 589 CG1 VAL A 38 8.890 8.255 -3.075 1.00 0.00 C ATOM 590 CG2 VAL A 38 8.922 10.589 -2.166 1.00 0.00 C ATOM 0 H VAL A 38 9.727 10.268 0.283 1.00 0.00 H new ATOM 0 HA VAL A 38 7.662 8.583 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 38 10.418 9.102 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.313 8.632 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.238 7.236 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.802 8.260 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.344 10.931 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.835 10.658 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.294 11.215 -1.355 1.00 0.00 H new ATOM 600 N THR A 39 10.518 7.187 0.219 1.00 0.00 N ATOM 601 CA THR A 39 11.158 5.915 0.537 1.00 0.00 C ATOM 602 C THR A 39 10.334 5.129 1.553 1.00 0.00 C ATOM 603 O THR A 39 10.347 3.898 1.558 1.00 0.00 O ATOM 604 CB THR A 39 12.569 6.151 1.078 1.00 0.00 C ATOM 605 OG1 THR A 39 13.210 4.920 1.360 1.00 0.00 O ATOM 606 CG2 THR A 39 12.595 6.982 2.342 1.00 0.00 C ATOM 0 H THR A 39 11.083 8.009 0.432 1.00 0.00 H new ATOM 0 HA THR A 39 11.222 5.330 -0.380 1.00 0.00 H new ATOM 0 HB THR A 39 13.091 6.698 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.112 5.092 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.626 7.111 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.152 7.958 2.145 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.026 6.476 3.122 1.00 0.00 H new ATOM 614 N VAL A 40 9.620 5.848 2.413 1.00 0.00 N ATOM 615 CA VAL A 40 8.791 5.216 3.433 1.00 0.00 C ATOM 616 C VAL A 40 7.625 4.462 2.803 1.00 0.00 C ATOM 617 O VAL A 40 7.290 3.354 3.222 1.00 0.00 O ATOM 618 CB VAL A 40 8.236 6.251 4.429 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.551 5.557 5.597 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.347 7.168 4.920 1.00 0.00 C ATOM 0 H VAL A 40 9.599 6.868 2.424 1.00 0.00 H new ATOM 0 HA VAL A 40 9.431 4.514 3.968 1.00 0.00 H new ATOM 0 HB VAL A 40 7.493 6.861 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.166 6.305 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.727 4.948 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.269 4.920 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.936 7.893 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.115 6.575 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.786 7.693 4.072 1.00 0.00 H new ATOM 630 N VAL A 41 7.009 5.071 1.794 1.00 0.00 N ATOM 631 CA VAL A 41 5.881 4.458 1.105 1.00 0.00 C ATOM 632 C VAL A 41 6.278 3.125 0.479 1.00 0.00 C ATOM 633 O VAL A 41 5.500 2.171 0.482 1.00 0.00 O ATOM 634 CB VAL A 41 5.324 5.383 0.007 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.039 4.812 -0.573 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.094 6.783 0.555 1.00 0.00 C ATOM 0 H VAL A 41 7.273 5.989 1.436 1.00 0.00 H new ATOM 0 HA VAL A 41 5.107 4.288 1.853 1.00 0.00 H new ATOM 0 HB VAL A 41 6.059 5.447 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.661 5.480 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.239 3.832 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.295 4.715 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.700 7.423 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.379 6.739 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.038 7.192 0.917 1.00 0.00 H new ATOM 646 N GLU A 42 7.492 3.067 -0.057 1.00 0.00 N ATOM 647 CA GLU A 42 7.992 1.851 -0.687 1.00 0.00 C ATOM 648 C GLU A 42 8.291 0.781 0.358 1.00 0.00 C ATOM 649 O GLU A 42 7.872 -0.369 0.223 1.00 0.00 O ATOM 650 CB GLU A 42 9.251 2.153 -1.500 1.00 0.00 C ATOM 651 CG GLU A 42 9.058 3.247 -2.538 1.00 0.00 C ATOM 652 CD GLU A 42 9.751 2.935 -3.849 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.370 1.939 -4.499 1.00 0.00 O ATOM 654 OE2 GLU A 42 10.674 3.687 -4.227 1.00 0.00 O ATOM 0 H GLU A 42 8.148 3.848 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 42 7.219 1.474 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.051 2.446 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.577 1.242 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.992 3.387 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.441 4.188 -2.144 1.00 0.00 H new ATOM 661 N ASP A 43 9.019 1.167 1.402 1.00 0.00 N ATOM 662 CA ASP A 43 9.374 0.241 2.471 1.00 0.00 C ATOM 663 C ASP A 43 8.136 -0.187 3.254 1.00 0.00 C ATOM 664 O ASP A 43 8.069 -1.305 3.765 1.00 0.00 O ATOM 665 CB ASP A 43 10.391 0.884 3.415 1.00 0.00 C ATOM 666 CG ASP A 43 11.286 -0.141 4.083 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.580 -1.177 3.450 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.695 0.093 5.240 1.00 0.00 O ATOM 0 H ASP A 43 9.374 2.115 1.530 1.00 0.00 H new ATOM 0 HA ASP A 43 9.819 -0.644 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.005 1.590 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.863 1.455 4.179 1.00 0.00 H new ATOM 673 N TRP A 44 7.160 0.711 3.344 1.00 0.00 N ATOM 674 CA TRP A 44 5.925 0.426 4.065 1.00 0.00 C ATOM 675 C TRP A 44 5.205 -0.774 3.454 1.00 0.00 C ATOM 676 O TRP A 44 4.642 -1.603 4.170 1.00 0.00 O ATOM 677 CB TRP A 44 5.007 1.650 4.051 1.00 0.00 C ATOM 678 CG TRP A 44 5.094 2.473 5.300 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.133 2.512 6.186 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.102 3.377 5.803 1.00 0.00 C ATOM 681 NE1 TRP A 44 5.848 3.385 7.209 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.607 3.928 6.996 1.00 0.00 C ATOM 683 CE3 TRP A 44 2.838 3.773 5.360 1.00 0.00 C ATOM 684 CZ2 TRP A 44 3.890 4.853 7.751 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.127 4.692 6.110 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.655 5.223 7.293 1.00 0.00 C ATOM 0 H TRP A 44 7.201 1.641 2.927 1.00 0.00 H new ATOM 0 HA TRP A 44 6.181 0.187 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.260 2.275 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.977 1.321 3.912 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.045 1.941 6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.460 3.595 7.998 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.423 3.369 4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.294 5.263 8.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.148 5.005 5.778 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.075 5.940 7.856 1.00 0.00 H new ATOM 697 N MET A 45 5.228 -0.858 2.129 1.00 0.00 N ATOM 698 CA MET A 45 4.579 -1.956 1.422 1.00 0.00 C ATOM 699 C MET A 45 5.322 -3.268 1.655 1.00 0.00 C ATOM 700 O MET A 45 4.711 -4.332 1.740 1.00 0.00 O ATOM 701 CB MET A 45 4.511 -1.655 -0.076 1.00 0.00 C ATOM 702 CG MET A 45 3.953 -0.277 -0.396 1.00 0.00 C ATOM 703 SD MET A 45 4.708 0.455 -1.861 1.00 0.00 S ATOM 704 CE MET A 45 3.270 0.686 -2.903 1.00 0.00 C ATOM 0 H MET A 45 5.689 -0.179 1.523 1.00 0.00 H new ATOM 0 HA MET A 45 3.566 -2.058 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.511 -1.740 -0.501 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.893 -2.410 -0.562 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.876 -0.351 -0.546 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.112 0.382 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.519 1.361 -3.722 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.956 -0.276 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.459 1.114 -2.314 1.00 0.00 H new ATOM 714 N ASN A 46 6.644 -3.181 1.758 1.00 0.00 N ATOM 715 CA ASN A 46 7.473 -4.361 1.982 1.00 0.00 C ATOM 716 C ASN A 46 7.071 -5.073 3.270 1.00 0.00 C ATOM 717 O ASN A 46 7.093 -6.301 3.345 1.00 0.00 O ATOM 718 CB ASN A 46 8.950 -3.967 2.043 1.00 0.00 C ATOM 719 CG ASN A 46 9.850 -4.993 1.384 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.585 -6.195 1.437 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.922 -4.524 0.756 1.00 0.00 N ATOM 0 H ASN A 46 7.165 -2.306 1.690 1.00 0.00 H new ATOM 0 HA ASN A 46 7.320 -5.046 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.086 -3.002 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.247 -3.843 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.564 -5.167 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.103 -3.520 0.737 1.00 0.00 H new ATOM 728 N PHE A 47 6.704 -4.293 4.281 1.00 0.00 N ATOM 729 CA PHE A 47 6.297 -4.847 5.567 1.00 0.00 C ATOM 730 C PHE A 47 4.914 -5.484 5.472 1.00 0.00 C ATOM 731 O PHE A 47 4.695 -6.592 5.960 1.00 0.00 O ATOM 732 CB PHE A 47 6.296 -3.757 6.640 1.00 0.00 C ATOM 733 CG PHE A 47 6.774 -4.234 7.981 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.018 -4.830 8.115 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.981 -4.087 9.107 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.462 -5.269 9.349 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.418 -4.525 10.342 1.00 0.00 C ATOM 738 CZ PHE A 47 7.660 -5.117 10.463 1.00 0.00 C ATOM 0 H PHE A 47 6.680 -3.274 4.235 1.00 0.00 H new ATOM 0 HA PHE A 47 7.015 -5.619 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.929 -2.933 6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.286 -3.361 6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.648 -4.953 7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.009 -3.624 9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.434 -5.730 9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.789 -4.405 11.212 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.004 -5.461 11.428 1.00 0.00 H new ATOM 748 N TYR A 48 3.984 -4.775 4.840 1.00 0.00 N ATOM 749 CA TYR A 48 2.622 -5.271 4.681 1.00 0.00 C ATOM 750 C TYR A 48 2.607 -6.576 3.890 1.00 0.00 C ATOM 751 O TYR A 48 1.933 -7.534 4.269 1.00 0.00 O ATOM 752 CB TYR A 48 1.755 -4.226 3.978 1.00 0.00 C ATOM 753 CG TYR A 48 1.534 -2.973 4.797 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.969 -3.038 6.063 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.892 -1.725 4.301 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.765 -1.897 6.815 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.693 -0.578 5.046 1.00 0.00 C ATOM 758 CZ TYR A 48 1.129 -0.669 6.302 1.00 0.00 C ATOM 759 OH TYR A 48 0.928 0.470 7.046 1.00 0.00 O ATOM 0 H TYR A 48 4.149 -3.856 4.430 1.00 0.00 H new ATOM 0 HA TYR A 48 2.214 -5.463 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.224 -3.954 3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.788 -4.669 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.684 -3.998 6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.333 -1.650 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.323 -1.966 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.977 0.384 4.647 1.00 0.00 H new ATOM 0 HH TYR A 48 1.444 1.208 6.660 1.00 0.00 H new ATOM 769 N ILE A 49 3.353 -6.606 2.792 1.00 0.00 N ATOM 770 CA ILE A 49 3.426 -7.793 1.949 1.00 0.00 C ATOM 771 C ILE A 49 4.048 -8.964 2.705 1.00 0.00 C ATOM 772 O ILE A 49 3.593 -10.102 2.588 1.00 0.00 O ATOM 773 CB ILE A 49 4.243 -7.526 0.670 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.697 -6.298 -0.062 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.221 -8.745 -0.242 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.757 -5.521 -0.812 1.00 0.00 C ATOM 0 H ILE A 49 3.916 -5.821 2.465 1.00 0.00 H new ATOM 0 HA ILE A 49 2.404 -8.047 1.668 1.00 0.00 H new ATOM 0 HB ILE A 49 5.277 -7.329 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.926 -6.616 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.217 -5.638 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.803 -8.538 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.652 -9.599 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.192 -8.972 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.299 -4.665 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.516 -5.172 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.221 -6.166 -1.558 1.00 0.00 H new ATOM 788 N ASN A 50 5.088 -8.678 3.480 1.00 0.00 N ATOM 789 CA ASN A 50 5.770 -9.708 4.254 1.00 0.00 C ATOM 790 C ASN A 50 4.815 -10.363 5.247 1.00 0.00 C ATOM 791 O ASN A 50 4.931 -11.552 5.544 1.00 0.00 O ATOM 792 CB ASN A 50 6.966 -9.110 4.998 1.00 0.00 C ATOM 793 CG ASN A 50 8.128 -10.079 5.099 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.992 -11.175 5.643 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.279 -9.677 4.573 1.00 0.00 N ATOM 0 H ASN A 50 5.477 -7.741 3.589 1.00 0.00 H new ATOM 0 HA ASN A 50 6.127 -10.471 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.294 -8.206 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.656 -8.813 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.097 -10.285 4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.345 -8.760 4.132 1.00 0.00 H new ATOM 802 N TYR A 51 3.870 -9.579 5.757 1.00 0.00 N ATOM 803 CA TYR A 51 2.894 -10.084 6.715 1.00 0.00 C ATOM 804 C TYR A 51 1.847 -10.949 6.022 1.00 0.00 C ATOM 805 O TYR A 51 1.609 -12.090 6.420 1.00 0.00 O ATOM 806 CB TYR A 51 2.215 -8.919 7.443 1.00 0.00 C ATOM 807 CG TYR A 51 2.185 -9.080 8.946 1.00 0.00 C ATOM 808 CD1 TYR A 51 1.155 -9.774 9.569 1.00 0.00 C ATOM 809 CD2 TYR A 51 3.186 -8.536 9.742 1.00 0.00 C ATOM 810 CE1 TYR A 51 1.125 -9.922 10.942 1.00 0.00 C ATOM 811 CE2 TYR A 51 3.162 -8.682 11.115 1.00 0.00 C ATOM 812 CZ TYR A 51 2.130 -9.374 11.711 1.00 0.00 C ATOM 813 OH TYR A 51 2.103 -9.520 13.080 1.00 0.00 O ATOM 0 H TYR A 51 3.760 -8.592 5.523 1.00 0.00 H new ATOM 0 HA TYR A 51 3.421 -10.701 7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.735 -7.994 7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.194 -8.818 7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.366 -10.204 8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.995 -7.991 9.280 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.318 -10.465 11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.949 -8.256 11.719 1.00 0.00 H new ATOM 0 HH TYR A 51 2.884 -9.076 13.472 1.00 0.00 H new ATOM 823 N TYR A 52 1.225 -10.400 4.984 1.00 0.00 N ATOM 824 CA TYR A 52 0.203 -11.123 4.234 1.00 0.00 C ATOM 825 C TYR A 52 0.774 -12.402 3.631 1.00 0.00 C ATOM 826 O TYR A 52 0.176 -13.471 3.738 1.00 0.00 O ATOM 827 CB TYR A 52 -0.372 -10.235 3.130 1.00 0.00 C ATOM 828 CG TYR A 52 -1.144 -9.043 3.648 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.313 -9.213 4.379 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.703 -7.748 3.406 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.022 -8.125 4.854 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.406 -6.656 3.878 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.564 -6.849 4.602 1.00 0.00 C ATOM 834 OH TYR A 52 -3.267 -5.765 5.073 1.00 0.00 O ATOM 0 H TYR A 52 1.410 -9.457 4.643 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.596 -11.395 4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.443 -9.882 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.028 -10.835 2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.674 -10.211 4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.204 -7.592 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.930 -8.274 5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.050 -5.656 3.681 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.705 -4.964 5.024 1.00 0.00 H new ATOM 844 N ARG A 53 1.937 -12.283 2.998 1.00 0.00 N ATOM 845 CA ARG A 53 2.590 -13.431 2.376 1.00 0.00 C ATOM 846 C ARG A 53 2.840 -14.538 3.399 1.00 0.00 C ATOM 847 O ARG A 53 2.978 -15.707 3.038 1.00 0.00 O ATOM 848 CB ARG A 53 3.913 -13.006 1.736 1.00 0.00 C ATOM 849 CG ARG A 53 4.322 -13.871 0.555 1.00 0.00 C ATOM 850 CD ARG A 53 5.508 -13.275 -0.188 1.00 0.00 C ATOM 851 NE ARG A 53 5.101 -12.210 -1.102 1.00 0.00 N ATOM 852 CZ ARG A 53 5.886 -11.711 -2.054 1.00 0.00 C ATOM 853 NH1 ARG A 53 7.118 -12.176 -2.221 1.00 0.00 N ATOM 854 NH2 ARG A 53 5.438 -10.743 -2.843 1.00 0.00 N ATOM 0 H ARG A 53 2.446 -11.405 2.902 1.00 0.00 H new ATOM 0 HA ARG A 53 1.927 -13.819 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.832 -11.970 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.699 -13.040 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.576 -14.871 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.479 -13.978 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.226 -12.881 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.016 -14.060 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 53 4.161 -11.827 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.468 -12.920 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.714 -11.789 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.492 -10.381 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.039 -10.360 -3.573 1.00 0.00 H new ATOM 868 N GLN A 54 2.897 -14.164 4.673 1.00 0.00 N ATOM 869 CA GLN A 54 3.128 -15.130 5.742 1.00 0.00 C ATOM 870 C GLN A 54 1.819 -15.768 6.207 1.00 0.00 C ATOM 871 O GLN A 54 1.808 -16.557 7.152 1.00 0.00 O ATOM 872 CB GLN A 54 3.826 -14.454 6.924 1.00 0.00 C ATOM 873 CG GLN A 54 5.343 -14.498 6.841 1.00 0.00 C ATOM 874 CD GLN A 54 5.998 -14.607 8.203 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.672 -15.593 8.505 1.00 0.00 O ATOM 876 NE2 GLN A 54 5.803 -13.592 9.037 1.00 0.00 N ATOM 0 H GLN A 54 2.787 -13.201 4.990 1.00 0.00 H new ATOM 0 HA GLN A 54 3.769 -15.918 5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.504 -13.414 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.507 -14.936 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.645 -15.347 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.702 -13.599 6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.238 -12.794 8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.219 -13.610 9.968 1.00 0.00 H new ATOM 885 N GLN A 55 0.718 -15.426 5.541 1.00 0.00 N ATOM 886 CA GLN A 55 -0.588 -15.971 5.895 1.00 0.00 C ATOM 887 C GLN A 55 -1.458 -16.142 4.654 1.00 0.00 C ATOM 888 O GLN A 55 -2.626 -15.752 4.642 1.00 0.00 O ATOM 889 CB GLN A 55 -1.288 -15.057 6.904 1.00 0.00 C ATOM 890 CG GLN A 55 -2.475 -15.710 7.594 1.00 0.00 C ATOM 891 CD GLN A 55 -2.183 -16.079 9.035 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.060 -17.255 9.374 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.072 -15.071 9.892 1.00 0.00 N ATOM 0 H GLN A 55 0.705 -14.776 4.755 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.437 -16.951 6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.567 -14.743 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.626 -14.156 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.327 -15.031 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.761 -16.607 7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.182 -14.111 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.877 -15.257 10.876 1.00 0.00 H new ATOM 902 N VAL A 56 -0.881 -16.727 3.609 1.00 0.00 N ATOM 903 CA VAL A 56 -1.603 -16.950 2.360 1.00 0.00 C ATOM 904 C VAL A 56 -2.153 -18.370 2.294 1.00 0.00 C ATOM 905 O VAL A 56 -1.885 -19.191 3.171 1.00 0.00 O ATOM 906 CB VAL A 56 -0.709 -16.701 1.124 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.513 -16.054 0.007 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.498 -15.843 1.481 1.00 0.00 C ATOM 0 H VAL A 56 0.085 -17.055 3.602 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.426 -16.236 2.345 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.342 -17.666 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.868 -15.886 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.335 -16.711 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.913 -15.101 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.108 -15.685 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.160 -14.880 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.091 -16.349 2.243 1.00 0.00 H new ATOM 918 N THR A 57 -2.917 -18.655 1.243 1.00 0.00 N ATOM 919 CA THR A 57 -3.500 -19.970 1.049 1.00 0.00 C ATOM 920 C THR A 57 -4.043 -20.101 -0.366 1.00 0.00 C ATOM 921 O THR A 57 -4.552 -19.142 -0.945 1.00 0.00 O ATOM 922 CB THR A 57 -4.621 -20.229 2.052 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.407 -19.066 2.242 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.123 -20.676 3.411 1.00 0.00 C ATOM 0 H THR A 57 -3.145 -17.984 0.510 1.00 0.00 H new ATOM 0 HA THR A 57 -2.715 -20.710 1.208 1.00 0.00 H new ATOM 0 HB THR A 57 -5.211 -21.036 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.120 -19.255 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.973 -20.842 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.559 -21.603 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.478 -19.905 3.834 1.00 0.00 H new ATOM 932 N GLY A 58 -3.923 -21.296 -0.910 1.00 0.00 N ATOM 933 CA GLY A 58 -4.394 -21.560 -2.253 1.00 0.00 C ATOM 934 C GLY A 58 -3.382 -22.328 -3.073 1.00 0.00 C ATOM 935 O GLY A 58 -2.877 -23.367 -2.645 1.00 0.00 O ATOM 0 H GLY A 58 -3.503 -22.099 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.325 -22.126 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.620 -20.616 -2.749 1.00 0.00 H new ATOM 939 N GLU A 59 -3.086 -21.808 -4.250 1.00 0.00 N ATOM 940 CA GLU A 59 -2.123 -22.432 -5.149 1.00 0.00 C ATOM 941 C GLU A 59 -0.893 -21.544 -5.314 1.00 0.00 C ATOM 942 O GLU A 59 -0.970 -20.328 -5.138 1.00 0.00 O ATOM 943 CB GLU A 59 -2.764 -22.698 -6.513 1.00 0.00 C ATOM 944 CG GLU A 59 -4.167 -23.276 -6.424 1.00 0.00 C ATOM 945 CD GLU A 59 -4.418 -24.357 -7.458 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.004 -25.511 -7.222 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.030 -24.048 -8.502 1.00 0.00 O ATOM 0 H GLU A 59 -3.500 -20.949 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.812 -23.382 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.799 -21.766 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.132 -23.386 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.324 -23.688 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.895 -22.476 -6.556 1.00 0.00 H new ATOM 954 N PRO A 60 0.263 -22.137 -5.658 1.00 0.00 N ATOM 955 CA PRO A 60 1.508 -21.389 -5.848 1.00 0.00 C ATOM 956 C PRO A 60 1.323 -20.195 -6.777 1.00 0.00 C ATOM 957 O PRO A 60 1.772 -19.089 -6.480 1.00 0.00 O ATOM 958 CB PRO A 60 2.468 -22.417 -6.470 1.00 0.00 C ATOM 959 CG PRO A 60 1.624 -23.596 -6.831 1.00 0.00 C ATOM 960 CD PRO A 60 0.453 -23.573 -5.893 1.00 0.00 C ATOM 0 HA PRO A 60 1.876 -20.970 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.964 -22.007 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.251 -22.698 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.294 -23.536 -7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.187 -24.524 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.431 -24.032 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.663 -24.111 -4.969 1.00 0.00 H new ATOM 968 N GLN A 61 0.657 -20.427 -7.903 1.00 0.00 N ATOM 969 CA GLN A 61 0.410 -19.370 -8.876 1.00 0.00 C ATOM 970 C GLN A 61 -0.688 -18.428 -8.392 1.00 0.00 C ATOM 971 O GLN A 61 -0.676 -17.236 -8.700 1.00 0.00 O ATOM 972 CB GLN A 61 0.024 -19.971 -10.229 1.00 0.00 C ATOM 973 CG GLN A 61 -1.236 -20.819 -10.181 1.00 0.00 C ATOM 974 CD GLN A 61 -1.579 -21.430 -11.526 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.220 -22.572 -11.812 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.279 -20.669 -12.360 1.00 0.00 N ATOM 0 H GLN A 61 0.279 -21.338 -8.164 1.00 0.00 H new ATOM 0 HA GLN A 61 1.330 -18.797 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.118 -19.164 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.849 -20.582 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.106 -21.614 -9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.070 -20.205 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.556 -19.728 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.540 -21.026 -13.279 1.00 0.00 H new ATOM 985 N GLU A 62 -1.639 -18.967 -7.634 1.00 0.00 N ATOM 986 CA GLU A 62 -2.741 -18.168 -7.112 1.00 0.00 C ATOM 987 C GLU A 62 -2.229 -17.128 -6.122 1.00 0.00 C ATOM 988 O GLU A 62 -2.549 -15.944 -6.231 1.00 0.00 O ATOM 989 CB GLU A 62 -3.780 -19.069 -6.440 1.00 0.00 C ATOM 990 CG GLU A 62 -5.027 -19.288 -7.280 1.00 0.00 C ATOM 991 CD GLU A 62 -6.297 -19.284 -6.452 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.353 -18.532 -5.457 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.235 -20.032 -6.799 1.00 0.00 O ATOM 0 H GLU A 62 -1.668 -19.951 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.213 -17.649 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.325 -20.035 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.068 -18.629 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.090 -18.508 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.944 -20.239 -7.806 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.428 -17.575 -5.161 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.868 -16.684 -4.160 1.00 0.00 C ATOM 1002 C ARG A 63 -0.005 -15.612 -4.817 1.00 0.00 C ATOM 1003 O ARG A 63 0.030 -14.468 -4.367 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.040 -17.483 -3.154 1.00 0.00 C ATOM 1005 CG ARG A 63 1.111 -18.249 -3.785 1.00 0.00 C ATOM 1006 CD ARG A 63 2.041 -18.825 -2.728 1.00 0.00 C ATOM 1007 NE ARG A 63 1.308 -19.492 -1.655 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.859 -19.875 -0.507 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.148 -19.659 -0.277 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.120 -20.475 0.416 1.00 0.00 N ATOM 0 H ARG A 63 -1.153 -18.552 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.688 -16.192 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.357 -16.802 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.692 -18.186 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.717 -19.055 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.673 -17.587 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.724 -19.534 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.650 -18.025 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 63 0.314 -19.675 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.722 -19.197 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.565 -19.955 0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.128 -20.643 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.543 -20.769 1.296 1.00 0.00 H new ATOM 1024 N ASP A 64 0.687 -15.993 -5.886 1.00 0.00 N ATOM 1025 CA ASP A 64 1.547 -15.065 -6.610 1.00 0.00 C ATOM 1026 C ASP A 64 0.715 -14.046 -7.382 1.00 0.00 C ATOM 1027 O ASP A 64 1.093 -12.880 -7.496 1.00 0.00 O ATOM 1028 CB ASP A 64 2.461 -15.828 -7.570 1.00 0.00 C ATOM 1029 CG ASP A 64 3.833 -15.193 -7.689 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.506 -15.033 -6.650 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.233 -14.855 -8.823 1.00 0.00 O ATOM 0 H ASP A 64 0.669 -16.938 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 64 2.160 -14.532 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.568 -16.856 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.996 -15.869 -8.555 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.417 -14.495 -7.913 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.302 -13.624 -8.678 1.00 0.00 C ATOM 1038 C LYS A 65 -2.042 -12.653 -7.762 1.00 0.00 C ATOM 1039 O LYS A 65 -2.297 -11.508 -8.133 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.306 -14.458 -9.476 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.545 -13.938 -10.885 1.00 0.00 C ATOM 1042 CD LYS A 65 -3.833 -13.137 -10.973 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.566 -11.643 -10.893 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.484 -10.866 -11.773 1.00 0.00 N ATOM 0 H LYS A 65 -0.744 -15.458 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.690 -13.044 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.948 -15.486 -9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.255 -14.480 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.706 -13.313 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.588 -14.776 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.343 -13.367 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.502 -13.432 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.682 -11.308 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.533 -11.443 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.269 -9.852 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.356 -11.167 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.468 -11.036 -11.484 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.387 -13.120 -6.566 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.099 -12.292 -5.601 1.00 0.00 C ATOM 1060 C ALA A 66 -2.176 -11.245 -4.988 1.00 0.00 C ATOM 1061 O ALA A 66 -2.576 -10.102 -4.767 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.711 -13.161 -4.512 1.00 0.00 C ATOM 0 H ALA A 66 -2.185 -14.066 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.898 -11.770 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.240 -12.530 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.410 -13.867 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.922 -13.709 -3.997 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.940 -11.644 -4.711 1.00 0.00 N ATOM 1069 CA LEU A 67 0.041 -10.742 -4.120 1.00 0.00 C ATOM 1070 C LEU A 67 0.577 -9.759 -5.155 1.00 0.00 C ATOM 1071 O LEU A 67 0.949 -8.633 -4.822 1.00 0.00 O ATOM 1072 CB LEU A 67 1.187 -11.541 -3.506 1.00 0.00 C ATOM 1073 CG LEU A 67 1.441 -11.271 -2.023 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.683 -9.790 -1.783 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.270 -11.766 -1.186 1.00 0.00 C ATOM 0 H LEU A 67 -0.593 -12.587 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.453 -10.169 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.980 -12.603 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.100 -11.324 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 67 2.335 -11.816 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.862 -9.618 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.553 -9.466 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.808 -9.222 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.466 -11.567 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.639 -11.248 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.144 -12.838 -1.335 1.00 0.00 H new ATOM 1087 N GLN A 68 0.619 -10.192 -6.410 1.00 0.00 N ATOM 1088 CA GLN A 68 1.114 -9.352 -7.495 1.00 0.00 C ATOM 1089 C GLN A 68 0.257 -8.099 -7.650 1.00 0.00 C ATOM 1090 O GLN A 68 0.774 -7.011 -7.905 1.00 0.00 O ATOM 1091 CB GLN A 68 1.131 -10.136 -8.808 1.00 0.00 C ATOM 1092 CG GLN A 68 2.425 -10.897 -9.045 1.00 0.00 C ATOM 1093 CD GLN A 68 2.288 -11.963 -10.114 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.179 -12.377 -10.455 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.416 -12.412 -10.651 1.00 0.00 N ATOM 0 H GLN A 68 0.316 -11.121 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 68 2.131 -9.047 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.299 -10.840 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.968 -9.446 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.207 -10.195 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.744 -11.362 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.313 -12.041 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.386 -13.128 -11.377 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.053 -8.259 -7.499 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.979 -7.138 -7.626 1.00 0.00 C ATOM 1106 C GLU A 69 -1.914 -6.236 -6.404 1.00 0.00 C ATOM 1107 O GLU A 69 -2.135 -5.029 -6.499 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.408 -7.642 -7.838 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.427 -6.527 -8.009 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.795 -6.291 -9.460 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -3.946 -6.553 -10.338 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.933 -5.847 -9.719 1.00 0.00 O ATOM 0 H GLU A 69 -1.498 -9.152 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.682 -6.554 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.431 -8.283 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.697 -8.259 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.327 -6.773 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.027 -5.606 -7.585 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.596 -6.823 -5.258 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.486 -6.065 -4.021 1.00 0.00 C ATOM 1121 C LEU A 70 -0.565 -4.864 -4.219 1.00 0.00 C ATOM 1122 O LEU A 70 -0.716 -3.834 -3.562 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.956 -6.955 -2.895 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.638 -6.758 -1.540 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.539 -8.024 -0.704 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -1.021 -5.578 -0.801 1.00 0.00 C ATOM 0 H LEU A 70 -1.410 -7.821 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.478 -5.707 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.068 -7.997 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.112 -6.770 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.693 -6.543 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.030 -7.865 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.026 -8.846 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.490 -8.270 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.517 -5.451 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.041 -5.765 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.144 -4.672 -1.395 1.00 0.00 H new ATOM 1138 N ARG A 71 0.393 -5.011 -5.131 1.00 0.00 N ATOM 1139 CA ARG A 71 1.344 -3.944 -5.420 1.00 0.00 C ATOM 1140 C ARG A 71 0.657 -2.773 -6.115 1.00 0.00 C ATOM 1141 O ARG A 71 0.930 -1.611 -5.811 1.00 0.00 O ATOM 1142 CB ARG A 71 2.485 -4.473 -6.294 1.00 0.00 C ATOM 1143 CG ARG A 71 3.841 -3.880 -5.947 1.00 0.00 C ATOM 1144 CD ARG A 71 4.190 -2.716 -6.860 1.00 0.00 C ATOM 1145 NE ARG A 71 5.632 -2.497 -6.941 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.188 -1.366 -7.370 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.426 -0.350 -7.759 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.508 -1.250 -7.411 1.00 0.00 N ATOM 0 H ARG A 71 0.530 -5.859 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 71 1.753 -3.590 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.535 -5.557 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.261 -4.259 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.837 -3.542 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.608 -4.650 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.796 -2.907 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.706 -1.811 -6.494 1.00 0.00 H new ATOM 0 HE ARG A 71 6.249 -3.256 -6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.410 -0.434 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.857 0.514 -8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.098 -2.027 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.934 -0.383 -7.740 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.233 -3.085 -7.051 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.958 -2.058 -7.791 1.00 0.00 C ATOM 1164 C GLN A 72 -1.787 -1.191 -6.850 1.00 0.00 C ATOM 1165 O GLN A 72 -1.811 0.034 -6.978 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.865 -2.702 -8.841 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.122 -3.167 -10.083 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.059 -3.599 -11.195 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -3.045 -4.296 -10.956 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.754 -3.184 -12.419 1.00 0.00 N ATOM 0 H GLN A 72 -0.470 -4.041 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.227 -1.423 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.377 -3.554 -8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.633 -1.986 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.484 -2.360 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.468 -3.998 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.926 -2.607 -12.571 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.347 -3.442 -13.208 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.465 -1.832 -5.903 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.295 -1.116 -4.941 1.00 0.00 C ATOM 1181 C GLU A 73 -2.459 -0.138 -4.124 1.00 0.00 C ATOM 1182 O GLU A 73 -2.787 1.046 -4.027 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.999 -2.105 -4.010 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.874 -3.111 -4.741 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.217 -2.532 -5.143 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.276 -1.321 -5.440 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.209 -3.292 -5.161 1.00 0.00 O ATOM 0 H GLU A 73 -2.456 -2.845 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.045 -0.551 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.249 -2.642 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.613 -1.550 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.352 -3.461 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.033 -3.980 -4.103 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.377 -0.638 -3.535 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.493 0.192 -2.725 1.00 0.00 C ATOM 1196 C LEU A 74 0.261 1.194 -3.592 1.00 0.00 C ATOM 1197 O LEU A 74 0.559 2.306 -3.156 1.00 0.00 O ATOM 1198 CB LEU A 74 0.498 -0.684 -1.956 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.133 -1.814 -1.141 1.00 0.00 C ATOM 1200 CD1 LEU A 74 0.929 -2.812 -0.704 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.869 -1.254 0.066 1.00 0.00 C ATOM 0 H LEU A 74 -1.091 -1.615 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.106 0.746 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.202 -1.118 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.074 -0.049 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.854 -2.333 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.463 -3.609 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.413 -3.237 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.673 -2.305 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.312 -2.072 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.168 -0.710 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.656 -0.578 -0.269 1.00 0.00 H new ATOM 1213 N ASN A 75 0.568 0.793 -4.821 1.00 0.00 N ATOM 1214 CA ASN A 75 1.290 1.655 -5.750 1.00 0.00 C ATOM 1215 C ASN A 75 0.517 2.945 -6.009 1.00 0.00 C ATOM 1216 O ASN A 75 1.068 4.041 -5.904 1.00 0.00 O ATOM 1217 CB ASN A 75 1.539 0.922 -7.069 1.00 0.00 C ATOM 1218 CG ASN A 75 2.357 1.748 -8.044 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.064 2.675 -7.650 1.00 0.00 O ATOM 1220 ND2 ASN A 75 2.262 1.413 -9.326 1.00 0.00 N ATOM 0 H ASN A 75 0.328 -0.124 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 75 2.248 1.912 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.057 -0.016 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.583 0.667 -7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.788 1.932 -10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.663 0.637 -9.607 1.00 0.00 H new ATOM 1227 N THR A 76 -0.760 2.807 -6.348 1.00 0.00 N ATOM 1228 CA THR A 76 -1.608 3.956 -6.623 1.00 0.00 C ATOM 1229 C THR A 76 -1.982 4.688 -5.344 1.00 0.00 C ATOM 1230 O THR A 76 -2.074 5.911 -5.329 1.00 0.00 O ATOM 1231 CB THR A 76 -2.877 3.537 -7.343 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.311 2.262 -6.903 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.728 3.486 -8.848 1.00 0.00 C ATOM 0 H THR A 76 -1.230 1.906 -6.439 1.00 0.00 H new ATOM 0 HA THR A 76 -1.035 4.628 -7.262 1.00 0.00 H new ATOM 0 HB THR A 76 -3.611 4.305 -7.098 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.791 1.565 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.673 3.180 -9.297 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.453 4.473 -9.220 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.951 2.769 -9.113 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.211 3.935 -4.271 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.587 4.534 -2.995 1.00 0.00 C ATOM 1243 C LEU A 77 -1.621 5.659 -2.649 1.00 0.00 C ATOM 1244 O LEU A 77 -1.986 6.630 -1.986 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.586 3.478 -1.887 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.918 2.757 -1.678 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.702 1.433 -0.963 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.881 3.638 -0.895 1.00 0.00 C ATOM 0 H LEU A 77 -2.143 2.917 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.594 4.942 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.821 2.736 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.298 3.956 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.356 2.550 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.661 0.934 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.047 0.799 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.243 1.615 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.824 3.111 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.449 3.874 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.060 4.561 -1.446 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.392 5.524 -3.127 1.00 0.00 N ATOM 1261 CA ALA A 78 0.633 6.528 -2.907 1.00 0.00 C ATOM 1262 C ALA A 78 0.363 7.789 -3.733 1.00 0.00 C ATOM 1263 O ALA A 78 0.776 8.883 -3.351 1.00 0.00 O ATOM 1264 CB ALA A 78 2.005 5.961 -3.242 1.00 0.00 C ATOM 0 H ALA A 78 -0.081 4.721 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 78 0.611 6.807 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.765 6.724 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.208 5.099 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.026 5.653 -4.287 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.309 7.633 -4.883 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.589 8.778 -5.753 1.00 0.00 C ATOM 1272 C ASN A 79 -1.354 9.881 -5.018 1.00 0.00 C ATOM 1273 O ASN A 79 -0.911 11.029 -4.985 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.376 8.326 -6.987 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.724 8.769 -8.282 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.179 9.712 -8.929 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.349 8.087 -8.668 1.00 0.00 N ATOM 0 H ASN A 79 -0.662 6.740 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 79 0.369 9.193 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.464 7.240 -6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.388 8.728 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.830 8.339 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.692 7.312 -8.101 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.512 9.556 -4.418 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.321 10.538 -3.688 1.00 0.00 C ATOM 1286 C PRO A 80 -2.507 11.298 -2.647 1.00 0.00 C ATOM 1287 O PRO A 80 -2.657 12.509 -2.489 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.391 9.684 -3.004 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.501 8.463 -3.847 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.129 8.218 -4.413 1.00 0.00 C ATOM 0 HA PRO A 80 -3.726 11.302 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.104 9.435 -1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.343 10.213 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.836 7.611 -3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.231 8.605 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.562 7.517 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.179 7.796 -5.417 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.642 10.578 -1.940 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.802 11.184 -0.913 1.00 0.00 C ATOM 1300 C PHE A 81 0.314 12.012 -1.541 1.00 0.00 C ATOM 1301 O PHE A 81 0.545 13.157 -1.153 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.205 10.103 -0.010 1.00 0.00 C ATOM 1303 CG PHE A 81 0.626 10.652 1.115 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.060 11.479 2.072 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.972 10.341 1.214 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.822 11.986 3.108 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.740 10.845 2.248 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.163 11.668 3.196 1.00 0.00 C ATOM 0 H PHE A 81 -1.504 9.574 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.426 11.846 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.013 9.502 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.411 9.436 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.988 11.730 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.427 9.698 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.369 12.630 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.789 10.596 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.760 12.062 4.005 1.00 0.00 H new ATOM 1318 N LEU A 82 1.003 11.424 -2.513 1.00 0.00 N ATOM 1319 CA LEU A 82 2.096 12.107 -3.195 1.00 0.00 C ATOM 1320 C LEU A 82 1.603 13.381 -3.873 1.00 0.00 C ATOM 1321 O LEU A 82 2.212 14.444 -3.739 1.00 0.00 O ATOM 1322 CB LEU A 82 2.737 11.181 -4.231 1.00 0.00 C ATOM 1323 CG LEU A 82 3.851 10.282 -3.692 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.067 9.089 -4.611 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.141 11.071 -3.528 1.00 0.00 C ATOM 0 H LEU A 82 0.824 10.477 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 82 2.842 12.379 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.960 10.551 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.141 11.790 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 82 3.549 9.910 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.863 8.461 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.146 8.509 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.346 9.441 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.922 10.415 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.447 11.473 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.979 11.891 -2.829 1.00 0.00 H new ATOM 1337 N ALA A 83 0.496 13.269 -4.600 1.00 0.00 N ATOM 1338 CA ALA A 83 -0.079 14.413 -5.298 1.00 0.00 C ATOM 1339 C ALA A 83 -0.451 15.522 -4.321 1.00 0.00 C ATOM 1340 O ALA A 83 -0.256 16.704 -4.605 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.298 13.982 -6.099 1.00 0.00 C ATOM 0 H ALA A 83 -0.021 12.398 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 83 0.673 14.806 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.718 14.845 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.005 13.229 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.046 13.563 -5.426 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.987 15.133 -3.168 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.386 16.095 -2.147 1.00 0.00 C ATOM 1349 C LYS A 84 -0.167 16.687 -1.450 1.00 0.00 C ATOM 1350 O LYS A 84 -0.063 17.903 -1.282 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.302 15.429 -1.120 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.777 15.497 -1.484 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.534 14.283 -0.971 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.923 14.659 -0.483 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.896 13.545 -0.663 1.00 0.00 N ATOM 0 H LYS A 84 -1.155 14.159 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.928 16.903 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.011 14.384 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.153 15.905 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.215 16.403 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.883 15.562 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.615 13.541 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.974 13.821 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.876 14.933 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.273 15.538 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.831 13.842 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.961 13.300 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.576 12.714 -0.125 1.00 0.00 H new ATOM 1369 N TYR A 85 0.756 15.820 -1.044 1.00 0.00 N ATOM 1370 CA TYR A 85 1.969 16.258 -0.362 1.00 0.00 C ATOM 1371 C TYR A 85 2.784 17.194 -1.248 1.00 0.00 C ATOM 1372 O TYR A 85 3.381 18.157 -0.768 1.00 0.00 O ATOM 1373 CB TYR A 85 2.816 15.049 0.042 1.00 0.00 C ATOM 1374 CG TYR A 85 3.350 15.129 1.454 1.00 0.00 C ATOM 1375 CD1 TYR A 85 2.566 14.750 2.537 1.00 0.00 C ATOM 1376 CD2 TYR A 85 4.640 15.583 1.705 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.051 14.822 3.829 1.00 0.00 C ATOM 1378 CE2 TYR A 85 5.132 15.656 2.994 1.00 0.00 C ATOM 1379 CZ TYR A 85 4.334 15.275 4.052 1.00 0.00 C ATOM 1380 OH TYR A 85 4.820 15.348 5.337 1.00 0.00 O ATOM 0 H TYR A 85 0.687 14.811 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 85 1.676 16.803 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.216 14.145 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.653 14.955 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.561 14.393 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.268 15.883 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.428 14.525 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.137 16.010 3.172 1.00 0.00 H new ATOM 0 HH TYR A 85 4.232 15.916 5.877 1.00 0.00 H new ATOM 1390 N ARG A 86 2.805 16.903 -2.545 1.00 0.00 N ATOM 1391 CA ARG A 86 3.547 17.719 -3.499 1.00 0.00 C ATOM 1392 C ARG A 86 2.907 19.094 -3.654 1.00 0.00 C ATOM 1393 O ARG A 86 3.595 20.088 -3.887 1.00 0.00 O ATOM 1394 CB ARG A 86 3.614 17.020 -4.859 1.00 0.00 C ATOM 1395 CG ARG A 86 4.877 17.333 -5.643 1.00 0.00 C ATOM 1396 CD ARG A 86 5.925 16.246 -5.470 1.00 0.00 C ATOM 1397 NE ARG A 86 5.826 15.220 -6.506 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.364 14.006 -6.401 1.00 0.00 C ATOM 1399 NH1 ARG A 86 7.038 13.663 -5.309 1.00 0.00 N ATOM 1400 NH2 ARG A 86 6.227 13.133 -7.389 1.00 0.00 N ATOM 0 H ARG A 86 2.317 16.109 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 86 4.559 17.850 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.548 15.943 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.747 17.312 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.633 17.439 -6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.284 18.288 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.919 16.693 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.809 15.784 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 86 5.315 15.447 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.146 14.331 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.448 12.732 -5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.710 13.391 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.639 12.203 -7.309 1.00 0.00 H new ATOM 1414 N ASP A 87 1.585 19.144 -3.523 1.00 0.00 N ATOM 1415 CA ASP A 87 0.852 20.398 -3.648 1.00 0.00 C ATOM 1416 C ASP A 87 1.027 21.259 -2.400 1.00 0.00 C ATOM 1417 O ASP A 87 1.073 22.486 -2.482 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.634 20.122 -3.887 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.962 19.960 -5.358 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.168 19.315 -6.076 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -2.013 20.476 -5.793 1.00 0.00 O ATOM 0 H ASP A 87 1.000 18.331 -3.330 1.00 0.00 H new ATOM 0 HA ASP A 87 1.256 20.942 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.924 19.218 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.224 20.940 -3.474 1.00 0.00 H new ATOM 1426 N PHE A 88 1.122 20.606 -1.246 1.00 0.00 N ATOM 1427 CA PHE A 88 1.292 21.311 0.019 1.00 0.00 C ATOM 1428 C PHE A 88 2.727 21.803 0.179 1.00 0.00 C ATOM 1429 O PHE A 88 2.962 22.965 0.513 1.00 0.00 O ATOM 1430 CB PHE A 88 0.919 20.400 1.189 1.00 0.00 C ATOM 1431 CG PHE A 88 0.230 21.119 2.313 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.807 22.236 2.896 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -0.996 20.679 2.787 1.00 0.00 C ATOM 1434 CE1 PHE A 88 0.176 22.899 3.931 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.632 21.337 3.822 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.046 22.450 4.394 1.00 0.00 C ATOM 0 H PHE A 88 1.084 19.590 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 88 0.629 22.176 0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.270 19.603 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.822 19.925 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.761 22.592 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.460 19.811 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.637 23.767 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.586 20.982 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.542 22.968 5.201 1.00 0.00 H new ATOM 1446 N LEU A 89 3.683 20.912 -0.061 1.00 0.00 N ATOM 1447 CA LEU A 89 5.095 21.255 0.057 1.00 0.00 C ATOM 1448 C LEU A 89 5.881 20.749 -1.148 1.00 0.00 C ATOM 1449 O LEU A 89 5.311 20.174 -2.075 1.00 0.00 O ATOM 1450 CB LEU A 89 5.679 20.667 1.344 1.00 0.00 C ATOM 1451 CG LEU A 89 5.477 19.161 1.517 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.639 18.551 2.285 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.160 18.879 2.225 1.00 0.00 C ATOM 0 H LEU A 89 3.505 19.947 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 89 5.177 22.341 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.748 20.880 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.230 21.179 2.196 1.00 0.00 H new ATOM 0 HG LEU A 89 5.442 18.702 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.478 17.479 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.566 18.723 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.707 19.014 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.032 17.803 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.167 19.351 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.336 19.281 1.635 1.00 0.00 H new ATOM 1465 N LYS A 90 7.192 20.966 -1.127 1.00 0.00 N ATOM 1466 CA LYS A 90 8.056 20.532 -2.219 1.00 0.00 C ATOM 1467 C LYS A 90 8.000 19.017 -2.386 1.00 0.00 C ATOM 1468 O LYS A 90 8.525 18.515 -3.402 1.00 0.00 O ATOM 1469 CB LYS A 90 9.497 20.975 -1.964 1.00 0.00 C ATOM 1470 CG LYS A 90 9.804 22.373 -2.476 1.00 0.00 C ATOM 1471 CD LYS A 90 11.279 22.536 -2.805 1.00 0.00 C ATOM 1472 CE LYS A 90 11.667 21.729 -4.034 1.00 0.00 C ATOM 1473 NZ LYS A 90 10.738 21.969 -5.172 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.432 18.345 -1.500 1.00 1.00 O ATOM 0 H LYS A 90 7.679 21.440 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 90 7.698 20.995 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.695 20.938 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.176 20.266 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.208 22.575 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.515 23.108 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.501 23.590 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.880 22.217 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.682 21.989 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.670 20.668 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.206 21.707 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.881 21.393 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.477 22.975 -5.201 1.00 0.00 H new