USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 955 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 122 SER OG : rot 84:sc= 1.17 USER MOD Set 1.2: A 125 THR OG1 : rot 163:sc= 0.987 USER MOD Set 2.1: A 99 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.7) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 78 CYS SG : rot 150:sc= -1.16 USER MOD Set 3.2: A 111 MET CE :methyl 177:sc= -0.0273 (180deg=-0.0015) USER MOD Set 4.1: A 64 TYR OH : rot 46:sc= 0.69 USER MOD Set 4.2: A 66 GLN : amide:sc= -0.175 X(o=0.64,f=0.16) USER MOD Set 4.3: A 71 CYS SG : rot 73:sc= 0.903 USER MOD Set 4.4: A 93 ASN : amide:sc= -0.777 K(o=0.64,f=-0.21) USER MOD Set 5.1: A 59 CYS SG : rot 62:sc= 0.154 USER MOD Set 5.2: A 117 TYR OH : rot 56:sc= -0.222 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0185) USER MOD Set 6.2: A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0712) USER MOD Set 7.1: A 26 SER OG : rot -57:sc= 1.23 USER MOD Set 7.2: A 130 MET CE :methyl -117:sc= -3.04 (180deg=-6.63!) USER MOD Set 8.1: A 25 HIS : no HD1:sc= -0.0841 K(o=-0.75,f=-1.8) USER MOD Set 8.2: A 29 ASN : amide:sc= -0.668 K(o=-0.75,f=-1.6) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0277) USER MOD Single : A 5 THR OG1 : rot 112:sc= 0.82 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.106 USER MOD Single : A 33 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.29) USER MOD Single : A 36 ASN : amide:sc= -0.271 K(o=-0.27,f=-4.2!) USER MOD Single : A 41 SER OG : rot -47:sc=0.000522 USER MOD Single : A 42 SER OG : rot 41:sc= 0.184 USER MOD Single : A 43 GLN :FLIP amide:sc= -3.64! C(o=-5.5!,f=-3.6!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -120:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.231 USER MOD Single : A 62 SER OG : rot -120:sc= -0.0612 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= -0.228 (180deg=-0.244) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -0.54 (180deg=-2.67!) USER MOD Single : A 84 LYS NZ :NH3+ -127:sc= -0.196 (180deg=-2.62!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.018) USER MOD Single : A 100 ASN : amide:sc= -0.0564 K(o=-0.056,f=-0.76) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot -160:sc= -0.0588 USER MOD Single : A 126 THR OG1 : rot -174:sc= 1.3 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -3.872 7.583 13.045 1.00 0.00 N ATOM 21 CA GLU A 2 -4.584 6.442 12.489 1.00 0.00 C ATOM 22 C GLU A 2 -5.797 7.057 11.793 1.00 0.00 C ATOM 23 O GLU A 2 -6.938 6.886 12.204 1.00 0.00 O ATOM 24 CB GLU A 2 -5.002 5.472 13.612 1.00 0.00 C ATOM 25 CG GLU A 2 -3.804 4.861 14.354 1.00 0.00 C ATOM 26 CD GLU A 2 -4.281 3.893 15.452 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.712 4.363 16.505 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.217 2.682 15.245 1.00 0.00 O ATOM 0 HA GLU A 2 -3.978 5.855 11.799 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.633 6.002 14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.606 4.671 13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.164 4.331 13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.202 5.654 14.798 1.00 0.00 H new ATOM 35 N LYS A 3 -5.462 7.775 10.699 1.00 0.00 N ATOM 36 CA LYS A 3 -6.450 8.470 9.914 1.00 0.00 C ATOM 37 C LYS A 3 -7.149 7.462 9.009 1.00 0.00 C ATOM 38 O LYS A 3 -6.766 6.309 8.848 1.00 0.00 O ATOM 39 CB LYS A 3 -5.843 9.659 9.163 1.00 0.00 C ATOM 40 CG LYS A 3 -5.293 10.685 10.141 1.00 0.00 C ATOM 41 CD LYS A 3 -4.653 11.874 9.424 1.00 0.00 C ATOM 42 CE LYS A 3 -4.102 12.926 10.391 1.00 0.00 C ATOM 43 NZ LYS A 3 -5.150 13.606 11.143 1.00 0.00 N ATOM 0 H LYS A 3 -4.507 7.876 10.356 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.203 8.914 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.046 9.312 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.600 10.121 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.098 11.040 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.554 10.211 10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.845 11.515 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.392 12.339 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.413 12.448 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.527 13.663 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.727 14.352 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.832 14.030 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.640 12.921 11.753 1.00 0.00 H new ATOM 56 N LYS A 4 -8.223 8.046 8.448 1.00 0.00 N ATOM 57 CA LYS A 4 -9.145 7.343 7.574 1.00 0.00 C ATOM 58 C LYS A 4 -8.861 7.761 6.126 1.00 0.00 C ATOM 59 O LYS A 4 -9.210 8.850 5.688 1.00 0.00 O ATOM 60 CB LYS A 4 -10.579 7.666 8.042 1.00 0.00 C ATOM 61 CG LYS A 4 -10.984 9.147 7.966 1.00 0.00 C ATOM 62 CD LYS A 4 -12.314 9.407 8.684 1.00 0.00 C ATOM 63 CE LYS A 4 -12.776 10.863 8.566 1.00 0.00 C ATOM 64 NZ LYS A 4 -13.158 11.224 7.206 1.00 0.00 N ATOM 0 H LYS A 4 -8.466 9.025 8.597 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.022 6.261 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.278 7.085 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.690 7.330 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.203 9.762 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.069 9.448 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.080 8.752 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.210 9.148 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.623 11.026 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.975 11.522 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.541 12.191 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.324 11.177 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.882 10.562 6.861 1.00 0.00 H new ATOM 77 N THR A 5 -8.206 6.813 5.414 1.00 0.00 N ATOM 78 CA THR A 5 -7.845 6.954 4.003 1.00 0.00 C ATOM 79 C THR A 5 -6.970 5.722 3.754 1.00 0.00 C ATOM 80 O THR A 5 -5.790 5.672 4.079 1.00 0.00 O ATOM 81 CB THR A 5 -7.162 8.327 3.706 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.604 9.022 4.865 1.00 0.00 O ATOM 83 CG2 THR A 5 -8.078 9.219 2.810 1.00 0.00 C ATOM 0 H THR A 5 -7.915 5.923 5.818 1.00 0.00 H new ATOM 0 HA THR A 5 -8.695 6.978 3.321 1.00 0.00 H new ATOM 0 HB THR A 5 -6.264 8.093 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.627 9.040 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.582 10.170 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.269 8.710 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.023 9.400 3.322 1.00 0.00 H new ATOM 91 N ILE A 6 -7.654 4.729 3.159 1.00 0.00 N ATOM 92 CA ILE A 6 -7.107 3.433 2.874 1.00 0.00 C ATOM 93 C ILE A 6 -7.451 3.213 1.405 1.00 0.00 C ATOM 94 O ILE A 6 -8.603 3.024 1.031 1.00 0.00 O ATOM 95 CB ILE A 6 -7.718 2.397 3.874 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.308 2.979 5.222 1.00 0.00 C ATOM 97 CG2 ILE A 6 -7.860 0.990 3.208 1.00 0.00 C ATOM 98 CD1 ILE A 6 -7.192 3.420 6.177 1.00 0.00 C ATOM 0 H ILE A 6 -8.625 4.829 2.864 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.030 3.329 3.010 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.412 1.853 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.956 3.827 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.926 2.223 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.287 0.289 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.514 1.063 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.878 0.635 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.632 3.815 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.560 2.565 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.590 4.194 5.701 1.00 0.00 H new ATOM 110 N VAL A 7 -6.360 3.257 0.610 1.00 0.00 N ATOM 111 CA VAL A 7 -6.421 3.104 -0.821 1.00 0.00 C ATOM 112 C VAL A 7 -5.932 1.719 -1.239 1.00 0.00 C ATOM 113 O VAL A 7 -4.859 1.268 -0.864 1.00 0.00 O ATOM 114 CB VAL A 7 -5.613 4.210 -1.575 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.337 4.608 -0.767 1.00 0.00 C ATOM 116 CG2 VAL A 7 -5.711 4.381 -3.108 1.00 0.00 C ATOM 0 H VAL A 7 -5.415 3.402 0.967 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.468 3.215 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.233 5.106 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.789 5.379 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.630 4.991 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.700 3.733 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.071 5.205 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.389 3.462 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.743 4.597 -3.385 1.00 0.00 H new ATOM 126 N LEU A 8 -6.814 1.078 -2.038 1.00 0.00 N ATOM 127 CA LEU A 8 -6.532 -0.247 -2.574 1.00 0.00 C ATOM 128 C LEU A 8 -6.692 -0.123 -4.094 1.00 0.00 C ATOM 129 O LEU A 8 -7.620 0.492 -4.610 1.00 0.00 O ATOM 130 CB LEU A 8 -7.384 -1.340 -1.905 1.00 0.00 C ATOM 131 CG LEU A 8 -8.910 -1.035 -1.807 1.00 0.00 C ATOM 132 CD1 LEU A 8 -9.655 -1.657 -3.027 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.562 -0.741 -0.436 1.00 0.00 C ATOM 0 H LEU A 8 -7.716 1.463 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.519 -0.580 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.252 -2.269 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.000 -1.511 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.118 0.029 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.721 -1.440 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.262 -1.230 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.504 -2.736 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.627 -0.553 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.426 -1.599 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.093 0.136 0.009 1.00 0.00 H new ATOM 145 N GLY A 9 -5.692 -0.753 -4.748 1.00 0.00 N ATOM 146 CA GLY A 9 -5.589 -0.799 -6.202 1.00 0.00 C ATOM 147 C GLY A 9 -4.406 -1.691 -6.572 1.00 0.00 C ATOM 148 O GLY A 9 -3.662 -2.114 -5.691 1.00 0.00 O ATOM 0 H GLY A 9 -4.936 -1.243 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.509 -1.190 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.448 0.204 -6.604 1.00 0.00 H new ATOM 152 N VAL A 10 -4.296 -1.986 -7.905 1.00 0.00 N ATOM 153 CA VAL A 10 -3.219 -2.832 -8.400 1.00 0.00 C ATOM 154 C VAL A 10 -3.404 -3.397 -9.832 1.00 0.00 C ATOM 155 O VAL A 10 -3.544 -2.657 -10.796 1.00 0.00 O ATOM 156 CB VAL A 10 -3.158 -4.060 -7.515 1.00 0.00 C ATOM 157 CG1 VAL A 10 -4.653 -4.651 -7.435 1.00 0.00 C ATOM 158 CG2 VAL A 10 -1.738 -4.693 -7.362 1.00 0.00 C ATOM 0 H VAL A 10 -4.937 -1.647 -8.623 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.337 -2.192 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.010 -4.154 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.659 -5.541 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.319 -3.900 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.995 -4.913 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.797 -5.565 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.367 -4.995 -8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.058 -3.961 -6.927 1.00 0.00 H new ATOM 168 N ILE A 11 -3.353 -4.774 -9.894 1.00 0.00 N ATOM 169 CA ILE A 11 -3.495 -5.438 -11.184 1.00 0.00 C ATOM 170 C ILE A 11 -3.682 -6.928 -10.874 1.00 0.00 C ATOM 171 O ILE A 11 -4.234 -7.290 -9.843 1.00 0.00 O ATOM 172 CB ILE A 11 -2.271 -5.155 -12.121 1.00 0.00 C ATOM 173 CG1 ILE A 11 -2.549 -5.032 -13.641 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.948 -5.557 -11.396 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.668 -4.058 -14.074 1.00 0.00 C ATOM 0 H ILE A 11 -3.221 -5.393 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.353 -5.057 -11.739 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.951 -4.139 -12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.625 -4.725 -14.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.797 -6.023 -14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.100 -5.359 -12.051 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.844 -4.975 -10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.976 -6.618 -11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.759 -4.068 -15.160 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.613 -4.368 -13.628 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.423 -3.050 -13.739 1.00 0.00 H new ATOM 187 N GLY A 12 -3.211 -7.770 -11.828 1.00 0.00 N ATOM 188 CA GLY A 12 -3.335 -9.198 -11.620 1.00 0.00 C ATOM 189 C GLY A 12 -2.865 -9.953 -12.856 1.00 0.00 C ATOM 190 O GLY A 12 -1.910 -9.579 -13.527 1.00 0.00 O ATOM 0 H GLY A 12 -2.766 -7.486 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.745 -9.499 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.372 -9.452 -11.402 1.00 0.00 H new ATOM 292 N LYS A 21 -11.970 -7.809 -3.909 1.00 0.00 N ATOM 293 CA LYS A 21 -11.425 -8.992 -3.224 1.00 0.00 C ATOM 294 C LYS A 21 -11.242 -8.651 -1.763 1.00 0.00 C ATOM 295 O LYS A 21 -10.199 -8.773 -1.133 1.00 0.00 O ATOM 296 CB LYS A 21 -10.104 -9.328 -3.945 1.00 0.00 C ATOM 297 CG LYS A 21 -9.352 -10.584 -3.475 1.00 0.00 C ATOM 298 CD LYS A 21 -8.137 -10.828 -4.380 1.00 0.00 C ATOM 299 CE LYS A 21 -7.291 -12.025 -3.954 1.00 0.00 C ATOM 300 NZ LYS A 21 -6.186 -12.269 -4.873 1.00 0.00 N ATOM 0 HA LYS A 21 -12.078 -9.864 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.317 -9.439 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.435 -8.474 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.029 -10.461 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.016 -11.448 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.481 -10.982 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.512 -9.935 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.898 -11.852 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.921 -12.913 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.638 -13.090 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.561 -12.459 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.570 -11.432 -4.905 1.00 0.00 H new ATOM 313 N ILE A 22 -12.416 -8.202 -1.320 1.00 0.00 N ATOM 314 CA ILE A 22 -12.853 -7.704 -0.074 1.00 0.00 C ATOM 315 C ILE A 22 -11.684 -6.996 0.623 1.00 0.00 C ATOM 316 O ILE A 22 -11.467 -7.107 1.821 1.00 0.00 O ATOM 317 CB ILE A 22 -13.636 -8.846 0.599 1.00 0.00 C ATOM 318 CG1 ILE A 22 -12.880 -10.143 0.950 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.164 -8.659 0.319 1.00 0.00 C ATOM 320 CD1 ILE A 22 -12.973 -11.147 -0.214 1.00 0.00 C ATOM 0 H ILE A 22 -13.200 -8.192 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.577 -6.890 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.699 -8.902 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.835 -9.917 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.300 -10.584 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.722 -9.466 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.494 -7.702 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.342 -8.679 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.435 -12.058 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.019 -11.386 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.531 -10.709 -1.109 1.00 0.00 H new ATOM 332 N LEU A 23 -10.961 -6.232 -0.238 1.00 0.00 N ATOM 333 CA LEU A 23 -9.855 -5.424 0.232 1.00 0.00 C ATOM 334 C LEU A 23 -10.537 -4.170 0.791 1.00 0.00 C ATOM 335 O LEU A 23 -10.131 -3.598 1.793 1.00 0.00 O ATOM 336 CB LEU A 23 -8.913 -5.127 -0.945 1.00 0.00 C ATOM 337 CG LEU A 23 -7.421 -5.009 -0.541 1.00 0.00 C ATOM 338 CD1 LEU A 23 -7.229 -3.918 0.548 1.00 0.00 C ATOM 339 CD2 LEU A 23 -6.386 -6.069 -0.999 1.00 0.00 C ATOM 0 H LEU A 23 -11.137 -6.173 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.232 -5.898 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.016 -5.917 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.225 -4.198 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.615 -4.739 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.174 -3.853 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.565 -2.956 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.812 -4.179 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.401 -5.806 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.676 -7.048 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.353 -6.098 -2.088 1.00 0.00 H new ATOM 351 N ASP A 24 -11.637 -3.803 0.093 1.00 0.00 N ATOM 352 CA ASP A 24 -12.437 -2.672 0.507 1.00 0.00 C ATOM 353 C ASP A 24 -13.310 -3.140 1.684 1.00 0.00 C ATOM 354 O ASP A 24 -14.069 -2.360 2.237 1.00 0.00 O ATOM 355 CB ASP A 24 -13.240 -2.103 -0.681 1.00 0.00 C ATOM 356 CG ASP A 24 -13.998 -3.178 -1.487 1.00 0.00 C ATOM 357 OD1 ASP A 24 -14.776 -3.929 -0.899 1.00 0.00 O ATOM 358 OD2 ASP A 24 -13.801 -3.250 -2.700 1.00 0.00 O ATOM 0 H ASP A 24 -11.971 -4.278 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.818 -1.841 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.955 -1.370 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.560 -1.574 -1.348 1.00 0.00 H new ATOM 363 N HIS A 25 -13.182 -4.434 2.064 1.00 0.00 N ATOM 364 CA HIS A 25 -13.966 -4.892 3.200 1.00 0.00 C ATOM 365 C HIS A 25 -13.239 -4.382 4.448 1.00 0.00 C ATOM 366 O HIS A 25 -13.851 -4.003 5.434 1.00 0.00 O ATOM 367 CB HIS A 25 -14.103 -6.422 3.227 1.00 0.00 C ATOM 368 CG HIS A 25 -15.091 -6.882 4.280 1.00 0.00 C ATOM 369 ND1 HIS A 25 -15.014 -8.088 4.882 1.00 0.00 N ATOM 370 CD2 HIS A 25 -16.205 -6.200 4.804 1.00 0.00 C ATOM 371 CE1 HIS A 25 -16.044 -8.138 5.743 1.00 0.00 C ATOM 372 NE2 HIS A 25 -16.781 -7.013 5.718 1.00 0.00 N ATOM 0 H HIS A 25 -12.579 -5.129 1.624 1.00 0.00 H new ATOM 0 HA HIS A 25 -14.985 -4.509 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.426 -6.775 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -13.129 -6.870 3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.538 -5.211 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -16.256 -8.983 6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -17.610 -6.813 6.278 1.00 0.00 H new ATOM 380 N SER A 26 -11.897 -4.382 4.300 1.00 0.00 N ATOM 381 CA SER A 26 -10.951 -3.981 5.325 1.00 0.00 C ATOM 382 C SER A 26 -11.231 -2.561 5.804 1.00 0.00 C ATOM 383 O SER A 26 -11.225 -2.279 7.000 1.00 0.00 O ATOM 384 CB SER A 26 -9.487 -4.098 4.834 1.00 0.00 C ATOM 385 OG SER A 26 -8.910 -3.066 3.939 1.00 0.00 O ATOM 0 H SER A 26 -11.444 -4.672 3.433 1.00 0.00 H new ATOM 0 HA SER A 26 -11.081 -4.666 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.853 -4.147 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.395 -5.056 4.322 1.00 0.00 H new ATOM 0 HG SER A 26 -9.458 -2.991 3.130 1.00 0.00 H new ATOM 391 N PHE A 27 -11.483 -1.689 4.803 1.00 0.00 N ATOM 392 CA PHE A 27 -11.734 -0.277 5.112 1.00 0.00 C ATOM 393 C PHE A 27 -12.894 -0.186 6.112 1.00 0.00 C ATOM 394 O PHE A 27 -12.862 0.548 7.088 1.00 0.00 O ATOM 395 CB PHE A 27 -11.915 0.658 3.874 1.00 0.00 C ATOM 396 CG PHE A 27 -13.323 0.853 3.339 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.301 1.515 4.080 1.00 0.00 C ATOM 398 CD2 PHE A 27 -13.672 0.383 2.079 1.00 0.00 C ATOM 399 CE1 PHE A 27 -15.592 1.672 3.599 1.00 0.00 C ATOM 400 CE2 PHE A 27 -14.965 0.539 1.588 1.00 0.00 C ATOM 401 CZ PHE A 27 -15.928 1.181 2.349 1.00 0.00 C ATOM 0 H PHE A 27 -11.516 -1.931 3.813 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.826 0.118 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.515 1.639 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.299 0.266 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.047 1.915 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -12.928 -0.111 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.335 2.177 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.218 0.158 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 27 -16.933 1.298 1.970 1.00 0.00 H new ATOM 411 N THR A 28 -13.896 -1.011 5.789 1.00 0.00 N ATOM 412 CA THR A 28 -15.150 -1.095 6.509 1.00 0.00 C ATOM 413 C THR A 28 -15.001 -1.764 7.873 1.00 0.00 C ATOM 414 O THR A 28 -15.758 -1.521 8.805 1.00 0.00 O ATOM 415 CB THR A 28 -16.135 -1.829 5.546 1.00 0.00 C ATOM 416 OG1 THR A 28 -15.801 -1.896 4.118 1.00 0.00 O ATOM 417 CG2 THR A 28 -17.584 -1.341 5.763 1.00 0.00 C ATOM 0 H THR A 28 -13.846 -1.652 4.997 1.00 0.00 H new ATOM 0 HA THR A 28 -15.536 -0.108 6.765 1.00 0.00 H new ATOM 0 HB THR A 28 -16.023 -2.870 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.100 -2.566 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.251 -1.867 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.885 -1.541 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.640 -0.270 5.571 1.00 0.00 H new ATOM 425 N ASN A 29 -13.981 -2.606 7.905 1.00 0.00 N ATOM 426 CA ASN A 29 -13.598 -3.419 9.025 1.00 0.00 C ATOM 427 C ASN A 29 -12.819 -2.568 10.016 1.00 0.00 C ATOM 428 O ASN A 29 -12.399 -3.091 11.042 1.00 0.00 O ATOM 429 CB ASN A 29 -12.806 -4.688 8.639 1.00 0.00 C ATOM 430 CG ASN A 29 -13.638 -5.662 7.791 1.00 0.00 C ATOM 431 OD1 ASN A 29 -14.861 -5.697 7.855 1.00 0.00 O ATOM 432 ND2 ASN A 29 -12.888 -6.443 6.994 1.00 0.00 N ATOM 0 H ASN A 29 -13.370 -2.741 7.100 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.516 -3.787 9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.912 -4.401 8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.471 -5.194 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.335 -7.127 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.872 -6.351 7.000 1.00 0.00 H new ATOM 439 N ALA A 30 -12.633 -1.260 9.707 1.00 0.00 N ATOM 440 CA ALA A 30 -11.932 -0.434 10.648 1.00 0.00 C ATOM 441 C ALA A 30 -12.604 0.939 10.665 1.00 0.00 C ATOM 442 O ALA A 30 -12.068 1.878 11.243 1.00 0.00 O ATOM 443 CB ALA A 30 -10.438 -0.404 10.336 1.00 0.00 C ATOM 0 H ALA A 30 -12.949 -0.798 8.854 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.992 -0.841 11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.927 0.228 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.035 -1.415 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.284 -0.003 9.334 1.00 0.00 H new ATOM 449 N GLY A 31 -13.797 1.017 10.023 1.00 0.00 N ATOM 450 CA GLY A 31 -14.557 2.259 9.972 1.00 0.00 C ATOM 451 C GLY A 31 -13.743 3.434 9.415 1.00 0.00 C ATOM 452 O GLY A 31 -13.913 4.575 9.828 1.00 0.00 O ATOM 0 H GLY A 31 -14.238 0.233 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.443 2.112 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.905 2.508 10.975 1.00 0.00 H new ATOM 456 N PHE A 32 -12.863 3.074 8.452 1.00 0.00 N ATOM 457 CA PHE A 32 -12.013 4.096 7.842 1.00 0.00 C ATOM 458 C PHE A 32 -12.675 4.458 6.506 1.00 0.00 C ATOM 459 O PHE A 32 -13.749 3.985 6.159 1.00 0.00 O ATOM 460 CB PHE A 32 -10.568 3.584 7.661 1.00 0.00 C ATOM 461 CG PHE A 32 -9.773 3.440 8.940 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.828 4.392 9.959 1.00 0.00 C ATOM 463 CD2 PHE A 32 -8.930 2.345 9.104 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.063 4.251 11.109 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.167 2.201 10.254 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.230 3.154 11.258 1.00 0.00 C ATOM 0 H PHE A 32 -12.732 2.126 8.100 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.928 4.978 8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.602 2.616 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.038 4.267 6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.475 5.250 9.852 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.869 1.598 8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.117 4.997 11.888 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.521 1.343 10.367 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.633 3.042 12.151 1.00 0.00 H new ATOM 476 N ASN A 33 -11.956 5.363 5.804 1.00 0.00 N ATOM 477 CA ASN A 33 -12.381 5.898 4.527 1.00 0.00 C ATOM 478 C ASN A 33 -11.824 4.962 3.456 1.00 0.00 C ATOM 479 O ASN A 33 -10.740 4.402 3.558 1.00 0.00 O ATOM 480 CB ASN A 33 -11.837 7.331 4.361 1.00 0.00 C ATOM 481 CG ASN A 33 -12.271 7.977 3.036 1.00 0.00 C ATOM 482 OD1 ASN A 33 -11.495 8.097 2.095 1.00 0.00 O ATOM 483 ND2 ASN A 33 -13.555 8.378 3.032 1.00 0.00 N ATOM 0 H ASN A 33 -11.062 5.734 6.125 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.467 5.955 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.184 7.946 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.748 7.311 4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.949 8.820 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.135 8.240 3.860 1.00 0.00 H new ATOM 490 N VAL A 34 -12.676 4.861 2.421 1.00 0.00 N ATOM 491 CA VAL A 34 -12.409 4.057 1.243 1.00 0.00 C ATOM 492 C VAL A 34 -11.916 5.008 0.145 1.00 0.00 C ATOM 493 O VAL A 34 -12.458 6.083 -0.077 1.00 0.00 O ATOM 494 CB VAL A 34 -13.670 3.277 0.780 1.00 0.00 C ATOM 495 CG1 VAL A 34 -14.960 4.158 1.053 1.00 0.00 C ATOM 496 CG2 VAL A 34 -13.169 2.365 -0.413 1.00 0.00 C ATOM 0 H VAL A 34 -13.574 5.344 2.390 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.654 3.304 1.469 1.00 0.00 H new ATOM 0 HB VAL A 34 -14.205 2.459 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.847 3.614 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.035 4.373 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.886 5.094 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.003 1.779 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.769 2.994 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.389 1.693 -0.055 1.00 0.00 H new ATOM 506 N VAL A 35 -10.846 4.516 -0.506 1.00 0.00 N ATOM 507 CA VAL A 35 -10.205 5.209 -1.610 1.00 0.00 C ATOM 508 C VAL A 35 -9.913 4.131 -2.661 1.00 0.00 C ATOM 509 O VAL A 35 -8.796 3.663 -2.829 1.00 0.00 O ATOM 510 CB VAL A 35 -8.926 5.960 -1.109 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.298 6.761 -2.287 1.00 0.00 C ATOM 512 CG2 VAL A 35 -8.686 6.429 0.342 1.00 0.00 C ATOM 0 H VAL A 35 -10.410 3.624 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.833 5.985 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.297 5.135 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.408 7.284 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.025 6.075 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.021 7.486 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.717 6.923 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.470 7.128 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.702 5.568 1.010 1.00 0.00 H new ATOM 522 N ASN A 36 -11.007 3.753 -3.353 1.00 0.00 N ATOM 523 CA ASN A 36 -10.861 2.723 -4.378 1.00 0.00 C ATOM 524 C ASN A 36 -10.517 3.469 -5.662 1.00 0.00 C ATOM 525 O ASN A 36 -11.260 4.317 -6.140 1.00 0.00 O ATOM 526 CB ASN A 36 -12.148 1.890 -4.534 1.00 0.00 C ATOM 527 CG ASN A 36 -12.367 0.961 -3.330 1.00 0.00 C ATOM 528 OD1 ASN A 36 -11.541 0.858 -2.432 1.00 0.00 O ATOM 529 ND2 ASN A 36 -13.533 0.293 -3.378 1.00 0.00 N ATOM 0 H ASN A 36 -11.948 4.126 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.084 2.006 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.004 2.557 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.090 1.297 -5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.781 -0.355 -2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.170 0.434 -4.162 1.00 0.00 H new ATOM 536 N ILE A 37 -9.328 3.077 -6.172 1.00 0.00 N ATOM 537 CA ILE A 37 -8.800 3.655 -7.397 1.00 0.00 C ATOM 538 C ILE A 37 -9.293 2.729 -8.515 1.00 0.00 C ATOM 539 O ILE A 37 -10.387 2.895 -9.040 1.00 0.00 O ATOM 540 CB ILE A 37 -7.249 3.802 -7.371 1.00 0.00 C ATOM 541 CG1 ILE A 37 -6.789 5.241 -7.830 1.00 0.00 C ATOM 542 CG2 ILE A 37 -6.616 2.773 -6.358 1.00 0.00 C ATOM 543 CD1 ILE A 37 -5.272 5.369 -8.040 1.00 0.00 C ATOM 0 H ILE A 37 -8.731 2.367 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.150 4.677 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.563 3.429 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.298 5.496 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.106 5.969 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.532 2.889 -6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.007 2.960 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.871 1.758 -6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.033 6.385 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.755 5.147 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.951 4.666 -8.809 1.00 0.00 H new ATOM 555 N GLY A 38 -8.423 1.751 -8.843 1.00 0.00 N ATOM 556 CA GLY A 38 -8.736 0.781 -9.878 1.00 0.00 C ATOM 557 C GLY A 38 -7.501 -0.082 -10.138 1.00 0.00 C ATOM 558 O GLY A 38 -6.775 -0.453 -9.224 1.00 0.00 O ATOM 0 H GLY A 38 -7.511 1.624 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.574 0.156 -9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.039 1.290 -10.793 1.00 0.00 H new ATOM 562 N VAL A 39 -7.314 -0.360 -11.447 1.00 0.00 N ATOM 563 CA VAL A 39 -6.182 -1.160 -11.899 1.00 0.00 C ATOM 564 C VAL A 39 -4.980 -0.257 -12.243 1.00 0.00 C ATOM 565 O VAL A 39 -3.957 -0.736 -12.717 1.00 0.00 O ATOM 566 CB VAL A 39 -6.622 -2.022 -13.126 1.00 0.00 C ATOM 567 CG1 VAL A 39 -7.401 -3.268 -12.598 1.00 0.00 C ATOM 568 CG2 VAL A 39 -6.785 -1.444 -14.554 1.00 0.00 C ATOM 0 H VAL A 39 -7.932 -0.041 -12.193 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.863 -1.828 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.745 -2.367 -13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.717 -3.883 -13.440 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.753 -3.852 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.278 -2.939 -12.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.098 -2.236 -15.234 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.538 -0.656 -14.544 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.834 -1.032 -14.891 1.00 0.00 H new ATOM 578 N LEU A 40 -5.152 1.064 -11.990 1.00 0.00 N ATOM 579 CA LEU A 40 -4.077 2.011 -12.243 1.00 0.00 C ATOM 580 C LEU A 40 -3.269 1.988 -10.951 1.00 0.00 C ATOM 581 O LEU A 40 -3.623 2.623 -9.964 1.00 0.00 O ATOM 582 CB LEU A 40 -4.616 3.424 -12.526 1.00 0.00 C ATOM 583 CG LEU A 40 -5.517 3.502 -13.798 1.00 0.00 C ATOM 584 CD1 LEU A 40 -6.089 4.946 -13.900 1.00 0.00 C ATOM 585 CD2 LEU A 40 -5.381 2.559 -15.016 1.00 0.00 C ATOM 0 H LEU A 40 -6.009 1.475 -11.620 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.490 1.746 -13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.188 3.766 -11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.776 4.108 -12.643 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.324 2.776 -13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.723 5.025 -14.783 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.678 5.168 -13.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.267 5.658 -13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.127 2.823 -15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.384 2.660 -15.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.537 1.528 -14.697 1.00 0.00 H new ATOM 597 N SER A 41 -2.164 1.212 -11.029 1.00 0.00 N ATOM 598 CA SER A 41 -1.283 1.057 -9.885 1.00 0.00 C ATOM 599 C SER A 41 -0.141 2.046 -10.101 1.00 0.00 C ATOM 600 O SER A 41 1.029 1.689 -10.105 1.00 0.00 O ATOM 601 CB SER A 41 -0.741 -0.406 -9.836 1.00 0.00 C ATOM 602 OG SER A 41 0.184 -0.860 -8.764 1.00 0.00 O ATOM 0 H SER A 41 -1.878 0.698 -11.863 1.00 0.00 H new ATOM 0 HA SER A 41 -1.796 1.249 -8.943 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.610 -1.064 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.238 -0.589 -10.786 1.00 0.00 H new ATOM 0 HG SER A 41 0.903 -0.203 -8.652 1.00 0.00 H new ATOM 608 N SER A 42 -0.562 3.310 -10.296 1.00 0.00 N ATOM 609 CA SER A 42 0.357 4.410 -10.491 1.00 0.00 C ATOM 610 C SER A 42 0.600 4.906 -9.067 1.00 0.00 C ATOM 611 O SER A 42 -0.054 5.822 -8.591 1.00 0.00 O ATOM 612 CB SER A 42 -0.357 5.460 -11.383 1.00 0.00 C ATOM 613 OG SER A 42 -1.673 6.004 -10.963 1.00 0.00 O ATOM 0 H SER A 42 -1.545 3.580 -10.320 1.00 0.00 H new ATOM 0 HA SER A 42 1.298 4.168 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.322 6.304 -11.501 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.487 5.015 -12.370 1.00 0.00 H new ATOM 0 HG SER A 42 -1.668 6.163 -9.996 1.00 0.00 H new ATOM 619 N GLN A 43 1.578 4.228 -8.429 1.00 0.00 N ATOM 620 CA GLN A 43 1.932 4.478 -7.045 1.00 0.00 C ATOM 621 C GLN A 43 2.575 5.861 -6.915 1.00 0.00 C ATOM 622 O GLN A 43 2.205 6.629 -6.039 1.00 0.00 O ATOM 623 CB GLN A 43 2.884 3.371 -6.549 1.00 0.00 C ATOM 624 CG GLN A 43 3.287 3.495 -5.070 1.00 0.00 C ATOM 625 CD GLN A 43 2.069 3.336 -4.152 1.00 0.00 C ATOM 626 OE1 GLN A 43 1.872 2.066 -3.762 1.00 0.00 O flip ATOM 627 NE2 GLN A 43 1.377 4.292 -3.821 1.00 0.00 N flip ATOM 0 H GLN A 43 2.134 3.496 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 43 1.035 4.463 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.407 2.403 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.786 3.383 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.031 2.736 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.753 4.465 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.599 5.226 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.579 4.154 -3.201 1.00 0.00 H new ATOM 636 N GLU A 44 3.543 6.135 -7.819 1.00 0.00 N ATOM 637 CA GLU A 44 4.284 7.390 -7.792 1.00 0.00 C ATOM 638 C GLU A 44 3.327 8.558 -8.079 1.00 0.00 C ATOM 639 O GLU A 44 3.459 9.628 -7.497 1.00 0.00 O ATOM 640 CB GLU A 44 5.503 7.313 -8.736 1.00 0.00 C ATOM 641 CG GLU A 44 5.172 7.169 -10.238 1.00 0.00 C ATOM 642 CD GLU A 44 5.072 8.505 -11.010 1.00 0.00 C ATOM 643 OE1 GLU A 44 4.979 9.566 -10.392 1.00 0.00 O ATOM 644 OE2 GLU A 44 5.095 8.466 -12.240 1.00 0.00 O ATOM 0 H GLU A 44 3.819 5.499 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 44 4.698 7.573 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.104 8.212 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.121 6.467 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.938 6.551 -10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.227 6.636 -10.338 1.00 0.00 H new ATOM 651 N ASP A 45 2.351 8.314 -8.981 1.00 0.00 N ATOM 652 CA ASP A 45 1.407 9.374 -9.309 1.00 0.00 C ATOM 653 C ASP A 45 0.389 9.459 -8.170 1.00 0.00 C ATOM 654 O ASP A 45 -0.238 10.496 -7.989 1.00 0.00 O ATOM 655 CB ASP A 45 0.712 9.116 -10.657 1.00 0.00 C ATOM 656 CG ASP A 45 1.732 9.100 -11.810 1.00 0.00 C ATOM 657 OD1 ASP A 45 2.185 10.172 -12.209 1.00 0.00 O ATOM 658 OD2 ASP A 45 2.063 8.019 -12.297 1.00 0.00 O ATOM 0 H ASP A 45 2.208 7.430 -9.469 1.00 0.00 H new ATOM 0 HA ASP A 45 1.936 10.321 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.183 8.163 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.035 9.888 -10.839 1.00 0.00 H new ATOM 663 N PHE A 46 0.256 8.344 -7.403 1.00 0.00 N ATOM 664 CA PHE A 46 -0.680 8.363 -6.295 1.00 0.00 C ATOM 665 C PHE A 46 0.042 8.959 -5.079 1.00 0.00 C ATOM 666 O PHE A 46 -0.564 9.117 -4.032 1.00 0.00 O ATOM 667 CB PHE A 46 -1.354 7.008 -5.991 1.00 0.00 C ATOM 668 CG PHE A 46 -2.656 7.251 -5.273 1.00 0.00 C ATOM 669 CD1 PHE A 46 -3.789 7.590 -6.006 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.742 7.203 -3.886 1.00 0.00 C ATOM 671 CE1 PHE A 46 -4.980 7.910 -5.370 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.930 7.528 -3.249 1.00 0.00 C ATOM 673 CZ PHE A 46 -5.048 7.886 -3.987 1.00 0.00 C ATOM 0 H PHE A 46 0.766 7.471 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.527 8.989 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.532 6.461 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.697 6.391 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.741 7.604 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.881 6.912 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.850 8.177 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.985 7.502 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.968 8.145 -3.485 1.00 0.00 H new ATOM 683 N ILE A 47 1.347 9.291 -5.234 1.00 0.00 N ATOM 684 CA ILE A 47 2.059 9.923 -4.129 1.00 0.00 C ATOM 685 C ILE A 47 1.539 11.378 -4.130 1.00 0.00 C ATOM 686 O ILE A 47 1.339 11.993 -3.089 1.00 0.00 O ATOM 687 CB ILE A 47 3.620 9.784 -4.265 1.00 0.00 C ATOM 688 CG1 ILE A 47 4.277 8.670 -3.402 1.00 0.00 C ATOM 689 CG2 ILE A 47 4.278 11.048 -4.916 1.00 0.00 C ATOM 690 CD1 ILE A 47 3.809 7.209 -3.593 1.00 0.00 C ATOM 0 H ILE A 47 1.896 9.135 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 47 1.868 9.445 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 47 4.123 9.184 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.351 8.700 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.126 8.931 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.356 10.901 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.866 11.200 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.071 11.924 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.364 6.558 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.744 7.136 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.988 6.901 -4.623 1.00 0.00 H new ATOM 702 N ASN A 48 1.300 11.856 -5.380 1.00 0.00 N ATOM 703 CA ASN A 48 0.800 13.201 -5.593 1.00 0.00 C ATOM 704 C ASN A 48 -0.699 13.210 -5.232 1.00 0.00 C ATOM 705 O ASN A 48 -1.200 14.215 -4.741 1.00 0.00 O ATOM 706 CB ASN A 48 1.058 13.622 -7.053 1.00 0.00 C ATOM 707 CG ASN A 48 0.627 15.074 -7.313 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.379 15.341 -7.959 1.00 0.00 O ATOM 709 ND2 ASN A 48 1.454 15.983 -6.766 1.00 0.00 N ATOM 0 H ASN A 48 1.450 11.320 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 48 1.314 13.925 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.118 13.511 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.516 12.956 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.262 16.979 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.273 15.677 -6.241 1.00 0.00 H new ATOM 716 N ALA A 49 -1.393 12.067 -5.481 1.00 0.00 N ATOM 717 CA ALA A 49 -2.814 12.017 -5.167 1.00 0.00 C ATOM 718 C ALA A 49 -2.990 11.480 -3.732 1.00 0.00 C ATOM 719 O ALA A 49 -4.108 11.222 -3.310 1.00 0.00 O ATOM 720 CB ALA A 49 -3.576 11.185 -6.205 1.00 0.00 C ATOM 0 H ALA A 49 -0.999 11.215 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.241 13.019 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.635 11.163 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.451 11.631 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.184 10.168 -6.215 1.00 0.00 H new ATOM 726 N ALA A 50 -1.864 11.306 -2.999 1.00 0.00 N ATOM 727 CA ALA A 50 -1.937 10.857 -1.613 1.00 0.00 C ATOM 728 C ALA A 50 -2.028 12.127 -0.777 1.00 0.00 C ATOM 729 O ALA A 50 -2.483 12.089 0.353 1.00 0.00 O ATOM 730 CB ALA A 50 -0.730 10.010 -1.201 1.00 0.00 C ATOM 0 H ALA A 50 -0.919 11.469 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.799 10.206 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.838 9.704 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.673 9.125 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.182 10.597 -1.314 1.00 0.00 H new ATOM 736 N ILE A 51 -1.573 13.250 -1.372 1.00 0.00 N ATOM 737 CA ILE A 51 -1.668 14.537 -0.700 1.00 0.00 C ATOM 738 C ILE A 51 -3.160 14.921 -0.793 1.00 0.00 C ATOM 739 O ILE A 51 -3.753 15.455 0.136 1.00 0.00 O ATOM 740 CB ILE A 51 -0.768 15.589 -1.429 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.522 15.054 -2.081 1.00 0.00 C ATOM 742 CG2 ILE A 51 -1.030 17.006 -0.820 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.448 16.103 -2.731 1.00 0.00 C ATOM 0 H ILE A 51 -1.146 13.280 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.327 14.499 0.334 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.993 15.860 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.092 14.519 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.243 14.326 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.404 17.741 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.079 17.270 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.789 16.995 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.320 15.605 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.908 16.625 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.770 16.821 -1.977 1.00 0.00 H new ATOM 755 N GLU A 52 -3.706 14.579 -1.984 1.00 0.00 N ATOM 756 CA GLU A 52 -5.078 14.826 -2.373 1.00 0.00 C ATOM 757 C GLU A 52 -6.038 14.121 -1.397 1.00 0.00 C ATOM 758 O GLU A 52 -6.735 14.792 -0.645 1.00 0.00 O ATOM 759 CB GLU A 52 -5.299 14.382 -3.831 1.00 0.00 C ATOM 760 CG GLU A 52 -6.706 14.690 -4.364 1.00 0.00 C ATOM 761 CD GLU A 52 -6.855 14.179 -5.807 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.064 12.979 -5.986 1.00 0.00 O ATOM 763 OE2 GLU A 52 -6.761 14.983 -6.734 1.00 0.00 O ATOM 0 H GLU A 52 -3.169 14.108 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.289 15.894 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.563 14.875 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.118 13.310 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.455 14.221 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.887 15.764 -4.331 1.00 0.00 H new ATOM 770 N THR A 53 -6.063 12.759 -1.436 1.00 0.00 N ATOM 771 CA THR A 53 -7.002 12.033 -0.593 1.00 0.00 C ATOM 772 C THR A 53 -6.541 12.115 0.852 1.00 0.00 C ATOM 773 O THR A 53 -7.291 12.586 1.698 1.00 0.00 O ATOM 774 CB THR A 53 -7.347 10.576 -1.051 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.681 9.441 -0.417 1.00 0.00 O ATOM 776 CG2 THR A 53 -7.368 10.469 -2.597 1.00 0.00 C ATOM 0 H THR A 53 -5.463 12.179 -2.023 1.00 0.00 H new ATOM 0 HA THR A 53 -7.965 12.533 -0.698 1.00 0.00 H new ATOM 0 HB THR A 53 -8.349 10.448 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.189 8.931 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.610 9.447 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.120 11.148 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.389 10.737 -2.994 1.00 0.00 H new ATOM 784 N LYS A 54 -5.294 11.626 1.058 1.00 0.00 N ATOM 785 CA LYS A 54 -4.594 11.594 2.354 1.00 0.00 C ATOM 786 C LYS A 54 -4.271 10.128 2.674 1.00 0.00 C ATOM 787 O LYS A 54 -4.489 9.683 3.789 1.00 0.00 O ATOM 788 CB LYS A 54 -5.345 12.300 3.510 1.00 0.00 C ATOM 789 CG LYS A 54 -4.534 12.504 4.795 1.00 0.00 C ATOM 790 CD LYS A 54 -5.287 13.373 5.811 1.00 0.00 C ATOM 791 CE LYS A 54 -4.352 14.081 6.796 1.00 0.00 C ATOM 792 NZ LYS A 54 -5.072 14.917 7.749 1.00 0.00 N ATOM 0 H LYS A 54 -4.736 11.232 0.301 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.678 12.178 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.686 13.273 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.235 11.718 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.309 11.535 5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.580 12.972 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.877 14.118 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.988 12.750 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.770 13.336 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.644 14.696 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.423 15.223 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.453 15.752 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.854 14.373 8.166 1.00 0.00 H new ATOM 805 N ALA A 55 -3.701 9.412 1.675 1.00 0.00 N ATOM 806 CA ALA A 55 -3.349 7.996 1.793 1.00 0.00 C ATOM 807 C ALA A 55 -2.555 7.758 3.083 1.00 0.00 C ATOM 808 O ALA A 55 -1.385 8.096 3.197 1.00 0.00 O ATOM 809 CB ALA A 55 -2.505 7.523 0.596 1.00 0.00 C ATOM 0 H ALA A 55 -3.476 9.812 0.764 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.279 7.428 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.262 6.467 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.070 7.662 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.584 8.104 0.548 1.00 0.00 H new ATOM 815 N ASP A 56 -3.285 7.125 4.030 1.00 0.00 N ATOM 816 CA ASP A 56 -2.731 6.753 5.322 1.00 0.00 C ATOM 817 C ASP A 56 -1.945 5.465 5.045 1.00 0.00 C ATOM 818 O ASP A 56 -0.865 5.261 5.585 1.00 0.00 O ATOM 819 CB ASP A 56 -3.841 6.574 6.380 1.00 0.00 C ATOM 820 CG ASP A 56 -3.263 6.275 7.778 1.00 0.00 C ATOM 821 OD1 ASP A 56 -2.931 5.120 8.042 1.00 0.00 O ATOM 822 OD2 ASP A 56 -3.153 7.197 8.585 1.00 0.00 O ATOM 0 H ASP A 56 -4.264 6.866 3.908 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.085 7.523 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.449 7.478 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.501 5.761 6.079 1.00 0.00 H new ATOM 827 N LEU A 57 -2.546 4.622 4.169 1.00 0.00 N ATOM 828 CA LEU A 57 -1.862 3.394 3.795 1.00 0.00 C ATOM 829 C LEU A 57 -2.321 3.047 2.387 1.00 0.00 C ATOM 830 O LEU A 57 -3.277 3.603 1.860 1.00 0.00 O ATOM 831 CB LEU A 57 -2.079 2.250 4.801 1.00 0.00 C ATOM 832 CG LEU A 57 -3.549 2.020 5.260 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.374 1.323 4.138 1.00 0.00 C ATOM 834 CD2 LEU A 57 -3.820 1.781 6.747 1.00 0.00 C ATOM 0 H LEU A 57 -3.457 4.771 3.736 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.783 3.545 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.708 1.326 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.470 2.447 5.683 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.050 2.984 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.398 1.172 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.378 1.950 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.924 0.359 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.889 1.639 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.283 0.891 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.481 2.643 7.322 1.00 0.00 H new ATOM 846 N ILE A 58 -1.555 2.078 1.825 1.00 0.00 N ATOM 847 CA ILE A 58 -1.813 1.590 0.475 1.00 0.00 C ATOM 848 C ILE A 58 -1.545 0.069 0.518 1.00 0.00 C ATOM 849 O ILE A 58 -0.746 -0.420 1.307 1.00 0.00 O ATOM 850 CB ILE A 58 -0.982 2.375 -0.610 1.00 0.00 C ATOM 851 CG1 ILE A 58 -0.564 3.841 -0.301 1.00 0.00 C ATOM 852 CG2 ILE A 58 -1.261 1.741 -2.012 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.543 4.154 0.748 1.00 0.00 C ATOM 0 H ILE A 58 -0.765 1.632 2.292 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.842 1.768 0.164 1.00 0.00 H new ATOM 0 HB ILE A 58 0.103 2.278 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.247 4.288 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.463 4.369 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.692 2.275 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.961 0.693 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.325 1.812 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.685 5.233 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.242 3.766 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.477 3.683 0.442 1.00 0.00 H new ATOM 865 N CYS A 59 -2.283 -0.647 -0.372 1.00 0.00 N ATOM 866 CA CYS A 59 -2.163 -2.098 -0.481 1.00 0.00 C ATOM 867 C CYS A 59 -2.370 -2.437 -1.966 1.00 0.00 C ATOM 868 O CYS A 59 -3.278 -1.937 -2.623 1.00 0.00 O ATOM 869 CB CYS A 59 -3.211 -2.819 0.392 1.00 0.00 C ATOM 870 SG CYS A 59 -3.180 -4.622 0.218 1.00 0.00 S ATOM 0 H CYS A 59 -2.959 -0.232 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.188 -2.431 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.042 -2.560 1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.204 -2.454 0.130 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.024 -5.075 0.602 1.00 0.00 H new ATOM 876 N VAL A 60 -1.458 -3.326 -2.436 1.00 0.00 N ATOM 877 CA VAL A 60 -1.466 -3.817 -3.805 1.00 0.00 C ATOM 878 C VAL A 60 -2.068 -5.225 -3.767 1.00 0.00 C ATOM 879 O VAL A 60 -1.725 -6.022 -2.902 1.00 0.00 O ATOM 880 CB VAL A 60 -0.009 -3.844 -4.374 1.00 0.00 C ATOM 881 CG1 VAL A 60 0.298 -2.453 -5.012 1.00 0.00 C ATOM 882 CG2 VAL A 60 1.084 -4.848 -3.923 1.00 0.00 C ATOM 0 H VAL A 60 -0.706 -3.711 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.054 -3.170 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 60 0.082 -4.635 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.311 -2.453 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.412 -2.257 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.210 -1.677 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.005 -4.653 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.266 -4.732 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.749 -5.865 -4.125 1.00 0.00 H new ATOM 892 N SER A 61 -2.983 -5.480 -4.734 1.00 0.00 N ATOM 893 CA SER A 61 -3.608 -6.791 -4.809 1.00 0.00 C ATOM 894 C SER A 61 -3.065 -7.460 -6.106 1.00 0.00 C ATOM 895 O SER A 61 -3.585 -7.289 -7.207 1.00 0.00 O ATOM 896 CB SER A 61 -5.149 -6.569 -4.666 1.00 0.00 C ATOM 897 OG SER A 61 -5.634 -5.234 -4.217 1.00 0.00 O ATOM 0 H SER A 61 -3.286 -4.811 -5.442 1.00 0.00 H new ATOM 0 HA SER A 61 -3.369 -7.498 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.606 -6.780 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.528 -7.313 -3.965 1.00 0.00 H new ATOM 0 HG SER A 61 -6.613 -5.239 -4.175 1.00 0.00 H new ATOM 903 N SER A 62 -1.943 -8.198 -5.891 1.00 0.00 N ATOM 904 CA SER A 62 -1.240 -8.948 -6.947 1.00 0.00 C ATOM 905 C SER A 62 0.228 -8.978 -6.521 1.00 0.00 C ATOM 906 O SER A 62 0.655 -8.235 -5.647 1.00 0.00 O ATOM 907 CB SER A 62 -1.362 -8.361 -8.398 1.00 0.00 C ATOM 908 OG SER A 62 -0.412 -8.758 -9.467 1.00 0.00 O ATOM 0 H SER A 62 -1.505 -8.284 -4.974 1.00 0.00 H new ATOM 0 HA SER A 62 -1.702 -9.932 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.363 -8.601 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.307 -7.276 -8.309 1.00 0.00 H new ATOM 0 HG SER A 62 0.059 -7.965 -9.798 1.00 0.00 H new ATOM 914 N LEU A 63 0.975 -9.879 -7.212 1.00 0.00 N ATOM 915 CA LEU A 63 2.392 -10.088 -6.977 1.00 0.00 C ATOM 916 C LEU A 63 3.131 -8.830 -7.479 1.00 0.00 C ATOM 917 O LEU A 63 2.805 -7.711 -7.103 1.00 0.00 O ATOM 918 CB LEU A 63 2.888 -11.409 -7.608 1.00 0.00 C ATOM 919 CG LEU A 63 2.163 -12.671 -7.051 1.00 0.00 C ATOM 920 CD1 LEU A 63 2.692 -13.913 -7.824 1.00 0.00 C ATOM 921 CD2 LEU A 63 1.581 -12.755 -5.626 1.00 0.00 C ATOM 0 H LEU A 63 0.591 -10.473 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 63 2.601 -10.212 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.745 -11.364 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.959 -11.507 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 63 1.093 -12.563 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.199 -14.811 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.480 -13.797 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.768 -14.003 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.127 -13.734 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.379 -12.609 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.825 -11.981 -5.495 1.00 0.00 H new ATOM 933 N TYR A 64 4.150 -9.070 -8.340 1.00 0.00 N ATOM 934 CA TYR A 64 4.950 -8.004 -8.889 1.00 0.00 C ATOM 935 C TYR A 64 4.193 -7.510 -10.125 1.00 0.00 C ATOM 936 O TYR A 64 4.415 -7.929 -11.255 1.00 0.00 O ATOM 937 CB TYR A 64 6.395 -8.477 -9.183 1.00 0.00 C ATOM 938 CG TYR A 64 7.411 -7.780 -8.308 1.00 0.00 C ATOM 939 CD1 TYR A 64 7.607 -6.409 -8.420 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.167 -8.486 -7.379 1.00 0.00 C ATOM 941 CE1 TYR A 64 8.530 -5.751 -7.621 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.096 -7.839 -6.573 1.00 0.00 C ATOM 943 CZ TYR A 64 9.278 -6.456 -6.671 1.00 0.00 C ATOM 944 OH TYR A 64 10.195 -5.801 -5.848 1.00 0.00 O ATOM 0 H TYR A 64 4.419 -10.002 -8.655 1.00 0.00 H new ATOM 0 HA TYR A 64 5.082 -7.181 -8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.462 -9.554 -9.028 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.631 -8.290 -10.231 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.032 -5.847 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.030 -9.553 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.673 -4.686 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.681 -8.408 -5.866 1.00 0.00 H new ATOM 0 HH TYR A 64 9.786 -4.988 -5.485 1.00 0.00 H new ATOM 954 N GLY A 65 3.282 -6.580 -9.790 1.00 0.00 N ATOM 955 CA GLY A 65 2.419 -5.899 -10.739 1.00 0.00 C ATOM 956 C GLY A 65 2.341 -4.437 -10.300 1.00 0.00 C ATOM 957 O GLY A 65 1.295 -3.800 -10.286 1.00 0.00 O ATOM 0 H GLY A 65 3.131 -6.282 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.819 -5.978 -11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.427 -6.351 -10.753 1.00 0.00 H new ATOM 961 N GLN A 66 3.552 -3.975 -9.931 1.00 0.00 N ATOM 962 CA GLN A 66 3.744 -2.629 -9.440 1.00 0.00 C ATOM 963 C GLN A 66 5.139 -2.183 -9.899 1.00 0.00 C ATOM 964 O GLN A 66 5.384 -1.019 -10.188 1.00 0.00 O ATOM 965 CB GLN A 66 3.537 -2.629 -7.907 1.00 0.00 C ATOM 966 CG GLN A 66 4.550 -3.481 -7.122 1.00 0.00 C ATOM 967 CD GLN A 66 4.305 -3.362 -5.609 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.929 -2.316 -5.094 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.545 -4.502 -4.939 1.00 0.00 N ATOM 0 H GLN A 66 4.406 -4.531 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 66 3.025 -1.912 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.590 -1.602 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.532 -2.991 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.469 -4.524 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.564 -3.158 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.857 -5.333 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.416 -4.536 -3.928 1.00 0.00 H new ATOM 978 N GLY A 67 6.033 -3.183 -9.963 1.00 0.00 N ATOM 979 CA GLY A 67 7.409 -2.943 -10.363 1.00 0.00 C ATOM 980 C GLY A 67 8.213 -2.493 -9.144 1.00 0.00 C ATOM 981 O GLY A 67 7.665 -2.156 -8.102 1.00 0.00 O ATOM 0 H GLY A 67 5.819 -4.156 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.842 -3.850 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.447 -2.180 -11.141 1.00 0.00 H new ATOM 985 N GLU A 68 9.547 -2.494 -9.346 1.00 0.00 N ATOM 986 CA GLU A 68 10.454 -2.113 -8.275 1.00 0.00 C ATOM 987 C GLU A 68 10.457 -0.569 -8.142 1.00 0.00 C ATOM 988 O GLU A 68 11.174 -0.023 -7.313 1.00 0.00 O ATOM 989 CB GLU A 68 11.864 -2.664 -8.553 1.00 0.00 C ATOM 990 CG GLU A 68 11.881 -4.189 -8.742 1.00 0.00 C ATOM 991 CD GLU A 68 13.318 -4.698 -8.944 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.776 -4.737 -10.085 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.963 -5.052 -7.956 1.00 0.00 O ATOM 0 H GLU A 68 10.000 -2.750 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 68 10.119 -2.541 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.266 -2.187 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.523 -2.398 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.438 -4.673 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.270 -4.460 -9.603 1.00 0.00 H new ATOM 1000 N ILE A 69 9.630 0.099 -8.983 1.00 0.00 N ATOM 1001 CA ILE A 69 9.506 1.546 -8.995 1.00 0.00 C ATOM 1002 C ILE A 69 8.481 1.891 -7.908 1.00 0.00 C ATOM 1003 O ILE A 69 8.698 2.776 -7.092 1.00 0.00 O ATOM 1004 CB ILE A 69 9.043 2.049 -10.403 1.00 0.00 C ATOM 1005 CG1 ILE A 69 9.310 1.126 -11.626 1.00 0.00 C ATOM 1006 CG2 ILE A 69 8.766 3.587 -10.351 1.00 0.00 C ATOM 1007 CD1 ILE A 69 10.818 0.994 -11.871 1.00 0.00 C ATOM 0 H ILE A 69 9.036 -0.368 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 69 10.460 2.034 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 69 8.091 1.823 -10.883 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.875 0.142 -11.450 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.825 1.535 -12.512 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.444 3.932 -11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.983 3.791 -9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.677 4.111 -10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.992 0.345 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.242 1.979 -12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 69 11.294 0.564 -10.989 1.00 0.00 H new ATOM 1019 N ASP A 70 7.356 1.137 -7.943 1.00 0.00 N ATOM 1020 CA ASP A 70 6.280 1.343 -6.982 1.00 0.00 C ATOM 1021 C ASP A 70 6.761 0.814 -5.624 1.00 0.00 C ATOM 1022 O ASP A 70 6.309 1.286 -4.587 1.00 0.00 O ATOM 1023 CB ASP A 70 5.007 0.605 -7.424 1.00 0.00 C ATOM 1024 CG ASP A 70 4.340 1.192 -8.684 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.861 2.140 -9.274 1.00 0.00 O ATOM 1026 OD2 ASP A 70 3.290 0.680 -9.061 1.00 0.00 O ATOM 0 H ASP A 70 7.184 0.395 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 70 6.035 2.403 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.253 -0.440 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.288 0.622 -6.605 1.00 0.00 H new ATOM 1031 N CYS A 71 7.694 -0.174 -5.670 1.00 0.00 N ATOM 1032 CA CYS A 71 8.233 -0.718 -4.432 1.00 0.00 C ATOM 1033 C CYS A 71 9.066 0.411 -3.815 1.00 0.00 C ATOM 1034 O CYS A 71 8.896 0.726 -2.647 1.00 0.00 O ATOM 1035 CB CYS A 71 9.061 -1.994 -4.653 1.00 0.00 C ATOM 1036 SG CYS A 71 8.048 -3.400 -5.173 1.00 0.00 S ATOM 0 H CYS A 71 8.066 -0.586 -6.526 1.00 0.00 H new ATOM 0 HA CYS A 71 7.431 -1.034 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 71 9.824 -1.802 -5.408 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.583 -2.248 -3.730 1.00 0.00 H new ATOM 0 HG CYS A 71 7.676 -3.234 -6.408 1.00 0.00 H new ATOM 1042 N LYS A 72 9.922 1.032 -4.673 1.00 0.00 N ATOM 1043 CA LYS A 72 10.769 2.138 -4.230 1.00 0.00 C ATOM 1044 C LYS A 72 10.012 3.458 -4.442 1.00 0.00 C ATOM 1045 O LYS A 72 10.607 4.514 -4.609 1.00 0.00 O ATOM 1046 CB LYS A 72 12.117 2.164 -4.977 1.00 0.00 C ATOM 1047 CG LYS A 72 13.044 0.998 -4.621 1.00 0.00 C ATOM 1048 CD LYS A 72 14.437 1.150 -5.257 1.00 0.00 C ATOM 1049 CE LYS A 72 14.455 0.886 -6.767 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.242 -0.518 -7.089 1.00 0.00 N ATOM 0 H LYS A 72 10.032 0.780 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 72 10.995 2.002 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.927 2.150 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.627 3.102 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.146 0.934 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.594 0.063 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.805 2.159 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.127 0.462 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.683 1.487 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.412 1.209 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.161 -0.629 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.046 -1.080 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.367 -0.849 -6.636 1.00 0.00 H new ATOM 1063 N GLY A 73 8.680 3.338 -4.416 1.00 0.00 N ATOM 1064 CA GLY A 73 7.770 4.460 -4.572 1.00 0.00 C ATOM 1065 C GLY A 73 7.363 4.952 -3.184 1.00 0.00 C ATOM 1066 O GLY A 73 7.184 6.139 -2.945 1.00 0.00 O ATOM 0 H GLY A 73 8.206 2.445 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.251 5.262 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.890 4.158 -5.140 1.00 0.00 H new ATOM 1070 N LEU A 74 7.257 3.937 -2.297 1.00 0.00 N ATOM 1071 CA LEU A 74 6.891 4.134 -0.909 1.00 0.00 C ATOM 1072 C LEU A 74 8.178 4.384 -0.119 1.00 0.00 C ATOM 1073 O LEU A 74 8.159 5.053 0.907 1.00 0.00 O ATOM 1074 CB LEU A 74 6.161 2.880 -0.402 1.00 0.00 C ATOM 1075 CG LEU A 74 5.024 2.455 -1.399 1.00 0.00 C ATOM 1076 CD1 LEU A 74 4.484 1.068 -1.911 1.00 0.00 C ATOM 1077 CD2 LEU A 74 3.959 3.576 -1.432 1.00 0.00 C ATOM 0 H LEU A 74 7.427 2.962 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 74 6.222 4.986 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.872 2.062 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.734 3.075 0.582 1.00 0.00 H new ATOM 0 HG LEU A 74 5.792 2.170 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.666 1.232 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.287 0.527 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.124 0.483 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.160 3.299 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.546 3.715 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.419 4.506 -1.767 1.00 0.00 H new ATOM 1089 N ARG A 75 9.294 3.815 -0.631 1.00 0.00 N ATOM 1090 CA ARG A 75 10.582 4.000 0.029 1.00 0.00 C ATOM 1091 C ARG A 75 11.029 5.438 -0.296 1.00 0.00 C ATOM 1092 O ARG A 75 11.797 6.039 0.442 1.00 0.00 O ATOM 1093 CB ARG A 75 11.613 2.950 -0.433 1.00 0.00 C ATOM 1094 CG ARG A 75 11.075 1.512 -0.407 1.00 0.00 C ATOM 1095 CD ARG A 75 10.843 0.895 0.986 1.00 0.00 C ATOM 1096 NE ARG A 75 9.647 0.047 1.028 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.358 -0.931 0.134 1.00 0.00 C ATOM 1098 NH1 ARG A 75 10.210 -1.291 -0.822 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.190 -1.556 0.211 1.00 0.00 N ATOM 0 H ARG A 75 9.319 3.242 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 75 10.497 3.859 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.936 3.191 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.494 3.012 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.132 1.490 -0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.773 0.876 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.714 0.304 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.746 1.693 1.722 1.00 0.00 H new ATOM 0 HE ARG A 75 8.983 0.205 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.115 -0.827 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.958 -2.031 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.521 -1.299 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.961 -2.293 -0.456 1.00 0.00 H new ATOM 1113 N GLU A 76 10.491 5.948 -1.432 1.00 0.00 N ATOM 1114 CA GLU A 76 10.764 7.297 -1.887 1.00 0.00 C ATOM 1115 C GLU A 76 9.824 8.232 -1.104 1.00 0.00 C ATOM 1116 O GLU A 76 10.169 9.379 -0.866 1.00 0.00 O ATOM 1117 CB GLU A 76 10.534 7.385 -3.406 1.00 0.00 C ATOM 1118 CG GLU A 76 10.678 8.804 -3.979 1.00 0.00 C ATOM 1119 CD GLU A 76 10.474 8.790 -5.504 1.00 0.00 C ATOM 1120 OE1 GLU A 76 9.326 8.827 -5.945 1.00 0.00 O ATOM 1121 OE2 GLU A 76 11.465 8.741 -6.233 1.00 0.00 O ATOM 0 H GLU A 76 9.862 5.424 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 76 11.799 7.588 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.243 6.727 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.536 7.012 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.948 9.467 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.665 9.201 -3.741 1.00 0.00 H new ATOM 1128 N LYS A 77 8.642 7.691 -0.711 1.00 0.00 N ATOM 1129 CA LYS A 77 7.627 8.418 0.029 1.00 0.00 C ATOM 1130 C LYS A 77 8.064 8.536 1.512 1.00 0.00 C ATOM 1131 O LYS A 77 7.508 9.320 2.271 1.00 0.00 O ATOM 1132 CB LYS A 77 6.319 7.615 -0.092 1.00 0.00 C ATOM 1133 CG LYS A 77 5.050 8.328 0.367 1.00 0.00 C ATOM 1134 CD LYS A 77 3.848 7.379 0.298 1.00 0.00 C ATOM 1135 CE LYS A 77 2.547 8.049 0.727 1.00 0.00 C ATOM 1136 NZ LYS A 77 2.092 9.042 -0.235 1.00 0.00 N ATOM 0 H LYS A 77 8.383 6.725 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 77 7.487 9.425 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.191 7.323 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.425 6.697 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.178 8.690 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.869 9.201 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.742 7.006 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.035 6.515 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.775 7.290 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.689 8.525 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.551 9.781 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.914 9.471 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.486 8.585 -0.946 1.00 0.00 H new ATOM 1149 N CYS A 78 9.060 7.700 1.881 1.00 0.00 N ATOM 1150 CA CYS A 78 9.610 7.620 3.228 1.00 0.00 C ATOM 1151 C CYS A 78 10.752 8.598 3.299 1.00 0.00 C ATOM 1152 O CYS A 78 10.897 9.417 4.198 1.00 0.00 O ATOM 1153 CB CYS A 78 10.010 6.176 3.573 1.00 0.00 C ATOM 1154 SG CYS A 78 10.922 6.033 5.130 1.00 0.00 S ATOM 0 H CYS A 78 9.504 7.054 1.228 1.00 0.00 H new ATOM 0 HA CYS A 78 8.870 7.891 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.111 5.562 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.621 5.773 2.765 1.00 0.00 H new ATOM 0 HG CYS A 78 10.680 4.875 5.670 1.00 0.00 H new ATOM 1160 N ASP A 79 11.524 8.423 2.230 1.00 0.00 N ATOM 1161 CA ASP A 79 12.707 9.184 1.925 1.00 0.00 C ATOM 1162 C ASP A 79 12.298 10.600 1.493 1.00 0.00 C ATOM 1163 O ASP A 79 13.133 11.467 1.266 1.00 0.00 O ATOM 1164 CB ASP A 79 13.623 8.432 0.939 1.00 0.00 C ATOM 1165 CG ASP A 79 14.991 9.120 0.771 1.00 0.00 C ATOM 1166 OD1 ASP A 79 15.803 9.048 1.693 1.00 0.00 O ATOM 1167 OD2 ASP A 79 15.228 9.718 -0.278 1.00 0.00 O ATOM 0 H ASP A 79 11.323 7.711 1.528 1.00 0.00 H new ATOM 0 HA ASP A 79 13.327 9.303 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.773 7.412 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.131 8.365 -0.031 1.00 0.00 H new ATOM 1172 N GLU A 80 10.972 10.780 1.423 1.00 0.00 N ATOM 1173 CA GLU A 80 10.355 12.038 1.092 1.00 0.00 C ATOM 1174 C GLU A 80 10.350 12.819 2.401 1.00 0.00 C ATOM 1175 O GLU A 80 10.854 13.930 2.506 1.00 0.00 O ATOM 1176 CB GLU A 80 8.922 11.909 0.538 1.00 0.00 C ATOM 1177 CG GLU A 80 8.266 13.270 0.245 1.00 0.00 C ATOM 1178 CD GLU A 80 8.948 13.986 -0.931 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.625 13.673 -2.077 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.793 14.848 -0.690 1.00 0.00 O ATOM 0 H GLU A 80 10.301 10.033 1.601 1.00 0.00 H new ATOM 0 HA GLU A 80 10.909 12.527 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.944 11.318 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.309 11.363 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.210 13.124 0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.318 13.899 1.134 1.00 0.00 H new ATOM 1187 N ALA A 81 9.720 12.125 3.375 1.00 0.00 N ATOM 1188 CA ALA A 81 9.537 12.616 4.734 1.00 0.00 C ATOM 1189 C ALA A 81 8.679 13.890 4.630 1.00 0.00 C ATOM 1190 O ALA A 81 8.985 14.926 5.209 1.00 0.00 O ATOM 1191 CB ALA A 81 10.883 12.845 5.446 1.00 0.00 C ATOM 0 H ALA A 81 9.324 11.197 3.224 1.00 0.00 H new ATOM 0 HA ALA A 81 9.027 11.879 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.702 13.211 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.434 11.906 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.467 13.581 4.893 1.00 0.00 H new ATOM 1197 N GLY A 82 7.595 13.728 3.842 1.00 0.00 N ATOM 1198 CA GLY A 82 6.651 14.810 3.592 1.00 0.00 C ATOM 1199 C GLY A 82 5.288 14.228 3.205 1.00 0.00 C ATOM 1200 O GLY A 82 4.246 14.662 3.683 1.00 0.00 O ATOM 0 H GLY A 82 7.362 12.853 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.552 15.432 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.023 15.452 2.794 1.00 0.00 H new ATOM 1204 N LEU A 83 5.374 13.213 2.315 1.00 0.00 N ATOM 1205 CA LEU A 83 4.188 12.517 1.844 1.00 0.00 C ATOM 1206 C LEU A 83 3.845 11.533 2.967 1.00 0.00 C ATOM 1207 O LEU A 83 4.641 10.677 3.334 1.00 0.00 O ATOM 1208 CB LEU A 83 4.492 11.753 0.547 1.00 0.00 C ATOM 1209 CG LEU A 83 4.728 12.660 -0.703 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.562 11.852 -1.743 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.801 13.815 -1.128 1.00 0.00 C ATOM 0 H LEU A 83 6.250 12.871 1.921 1.00 0.00 H new ATOM 0 HA LEU A 83 3.369 13.202 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.377 11.136 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.664 11.076 0.337 1.00 0.00 H new ATOM 0 HG LEU A 83 5.273 13.534 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.738 12.468 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.517 11.568 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.014 10.955 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.194 14.283 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.802 13.426 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.751 14.554 -0.328 1.00 0.00 H new ATOM 1223 N LYS A 84 2.609 11.721 3.481 1.00 0.00 N ATOM 1224 CA LYS A 84 2.117 10.888 4.566 1.00 0.00 C ATOM 1225 C LYS A 84 1.546 9.631 3.907 1.00 0.00 C ATOM 1226 O LYS A 84 0.824 9.696 2.919 1.00 0.00 O ATOM 1227 CB LYS A 84 1.090 11.652 5.431 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.284 11.900 4.776 1.00 0.00 C ATOM 1229 CD LYS A 84 -1.322 10.805 5.076 1.00 0.00 C ATOM 1230 CE LYS A 84 -1.858 10.859 6.511 1.00 0.00 C ATOM 1231 NZ LYS A 84 -2.866 9.839 6.766 1.00 0.00 N ATOM 0 H LYS A 84 1.954 12.434 3.159 1.00 0.00 H new ATOM 0 HA LYS A 84 2.907 10.610 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.936 11.096 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.520 12.615 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.672 12.859 5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.153 11.977 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.155 10.902 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.872 9.828 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.031 10.732 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.286 11.844 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.722 10.286 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.101 9.354 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.496 9.148 7.450 1.00 0.00 H new ATOM 1244 N GLY A 85 1.938 8.496 4.522 1.00 0.00 N ATOM 1245 CA GLY A 85 1.509 7.181 4.064 1.00 0.00 C ATOM 1246 C GLY A 85 2.689 6.208 4.067 1.00 0.00 C ATOM 1247 O GLY A 85 3.027 5.608 3.054 1.00 0.00 O ATOM 0 H GLY A 85 2.551 8.476 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.716 6.804 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.093 7.256 3.059 1.00 0.00 H new ATOM 1251 N ILE A 86 3.280 6.095 5.279 1.00 0.00 N ATOM 1252 CA ILE A 86 4.424 5.221 5.507 1.00 0.00 C ATOM 1253 C ILE A 86 3.900 3.995 6.263 1.00 0.00 C ATOM 1254 O ILE A 86 4.463 3.561 7.260 1.00 0.00 O ATOM 1255 CB ILE A 86 5.556 5.936 6.312 1.00 0.00 C ATOM 1256 CG1 ILE A 86 6.972 5.331 6.159 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.947 6.788 7.472 1.00 0.00 C ATOM 1258 CD1 ILE A 86 8.073 5.951 7.042 1.00 0.00 C ATOM 0 H ILE A 86 2.973 6.605 6.107 1.00 0.00 H new ATOM 0 HA ILE A 86 4.873 4.934 4.556 1.00 0.00 H new ATOM 0 HB ILE A 86 6.120 6.795 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.915 4.265 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.275 5.425 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.749 7.279 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.277 7.541 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.389 6.138 8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.020 5.448 6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.172 7.011 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.807 5.833 8.092 1.00 0.00 H new ATOM 1270 N LYS A 87 2.785 3.477 5.713 1.00 0.00 N ATOM 1271 CA LYS A 87 2.116 2.301 6.237 1.00 0.00 C ATOM 1272 C LYS A 87 1.663 1.594 4.967 1.00 0.00 C ATOM 1273 O LYS A 87 0.888 2.112 4.171 1.00 0.00 O ATOM 1274 CB LYS A 87 0.935 2.664 7.147 1.00 0.00 C ATOM 1275 CG LYS A 87 1.333 3.372 8.449 1.00 0.00 C ATOM 1276 CD LYS A 87 2.139 2.477 9.401 1.00 0.00 C ATOM 1277 CE LYS A 87 2.442 3.156 10.740 1.00 0.00 C ATOM 1278 NZ LYS A 87 3.344 4.294 10.603 1.00 0.00 N ATOM 0 H LYS A 87 2.332 3.874 4.890 1.00 0.00 H new ATOM 0 HA LYS A 87 2.755 1.687 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.249 3.306 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.390 1.753 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.921 4.258 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.433 3.715 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.585 1.556 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.076 2.195 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.508 3.490 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.883 2.428 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.515 4.716 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.247 3.975 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.914 5.004 9.976 1.00 0.00 H new ATOM 1291 N LEU A 88 2.210 0.380 4.823 1.00 0.00 N ATOM 1292 CA LEU A 88 1.918 -0.381 3.631 1.00 0.00 C ATOM 1293 C LEU A 88 1.739 -1.819 4.080 1.00 0.00 C ATOM 1294 O LEU A 88 2.259 -2.278 5.089 1.00 0.00 O ATOM 1295 CB LEU A 88 3.095 -0.224 2.649 1.00 0.00 C ATOM 1296 CG LEU A 88 3.064 1.142 1.889 1.00 0.00 C ATOM 1297 CD1 LEU A 88 2.017 1.053 0.747 1.00 0.00 C ATOM 1298 CD2 LEU A 88 3.546 2.533 2.369 1.00 0.00 C ATOM 0 H LEU A 88 2.831 -0.071 5.495 1.00 0.00 H new ATOM 0 HA LEU A 88 1.018 -0.043 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.034 -0.310 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.071 -1.039 1.926 1.00 0.00 H new ATOM 0 HG LEU A 88 4.133 1.244 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.985 2.000 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.295 0.254 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.035 0.843 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.375 3.269 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.992 2.821 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.610 2.490 2.600 1.00 0.00 H new ATOM 1310 N PHE A 89 0.907 -2.468 3.248 1.00 0.00 N ATOM 1311 CA PHE A 89 0.604 -3.869 3.409 1.00 0.00 C ATOM 1312 C PHE A 89 0.587 -4.352 1.956 1.00 0.00 C ATOM 1313 O PHE A 89 -0.432 -4.351 1.275 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.709 -4.060 4.195 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.706 -5.266 5.103 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.099 -6.377 4.854 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.540 -5.287 6.217 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.041 -7.493 5.676 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.583 -6.399 7.045 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.800 -7.507 6.774 1.00 0.00 C ATOM 0 H PHE A 89 0.438 -2.026 2.457 1.00 0.00 H new ATOM 0 HA PHE A 89 1.311 -4.445 4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.897 -3.168 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.534 -4.151 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.775 -6.369 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.159 -4.430 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.655 -8.354 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.233 -6.400 7.908 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.845 -8.375 7.414 1.00 0.00 H new ATOM 1330 N VAL A 90 1.784 -4.800 1.535 1.00 0.00 N ATOM 1331 CA VAL A 90 1.938 -5.221 0.155 1.00 0.00 C ATOM 1332 C VAL A 90 1.606 -6.715 0.012 1.00 0.00 C ATOM 1333 O VAL A 90 2.350 -7.650 0.292 1.00 0.00 O ATOM 1334 CB VAL A 90 3.364 -4.809 -0.347 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.420 -3.249 -0.407 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.663 -5.639 -0.231 1.00 0.00 C ATOM 0 H VAL A 90 2.621 -4.874 2.114 1.00 0.00 H new ATOM 0 HA VAL A 90 1.226 -4.714 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 90 3.454 -5.337 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.404 -2.933 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.658 -2.884 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.237 -2.840 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.490 -5.084 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.877 -5.835 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.539 -6.585 -0.758 1.00 0.00 H new ATOM 1346 N GLY A 91 0.351 -6.830 -0.447 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.204 -8.142 -0.721 1.00 0.00 C ATOM 1348 C GLY A 91 0.355 -8.662 -2.044 1.00 0.00 C ATOM 1349 O GLY A 91 0.026 -8.180 -3.119 1.00 0.00 O ATOM 0 H GLY A 91 -0.276 -6.047 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.044 -8.830 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.291 -8.086 -0.770 1.00 0.00 H new ATOM 1353 N GLY A 92 1.223 -9.679 -1.867 1.00 0.00 N ATOM 1354 CA GLY A 92 1.893 -10.309 -2.990 1.00 0.00 C ATOM 1355 C GLY A 92 3.330 -9.785 -3.083 1.00 0.00 C ATOM 1356 O GLY A 92 4.209 -10.203 -2.338 1.00 0.00 O ATOM 0 H GLY A 92 1.466 -10.070 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.896 -11.392 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.356 -10.096 -3.914 1.00 0.00 H new ATOM 1360 N ASN A 93 3.495 -8.846 -4.047 1.00 0.00 N ATOM 1361 CA ASN A 93 4.764 -8.199 -4.357 1.00 0.00 C ATOM 1362 C ASN A 93 5.679 -9.321 -4.881 1.00 0.00 C ATOM 1363 O ASN A 93 5.533 -9.788 -6.002 1.00 0.00 O ATOM 1364 CB ASN A 93 5.298 -7.372 -3.162 1.00 0.00 C ATOM 1365 CG ASN A 93 6.575 -6.592 -3.517 1.00 0.00 C ATOM 1366 OD1 ASN A 93 6.871 -6.331 -4.677 1.00 0.00 O ATOM 1367 ND2 ASN A 93 7.313 -6.250 -2.445 1.00 0.00 N ATOM 0 H ASN A 93 2.726 -8.521 -4.634 1.00 0.00 H new ATOM 0 HA ASN A 93 4.682 -7.434 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.528 -6.674 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.503 -8.039 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.186 -5.737 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.000 -6.504 -1.508 1.00 0.00 H new ATOM 1374 N ILE A 94 6.619 -9.729 -4.007 1.00 0.00 N ATOM 1375 CA ILE A 94 7.558 -10.789 -4.328 1.00 0.00 C ATOM 1376 C ILE A 94 6.997 -12.008 -3.588 1.00 0.00 C ATOM 1377 O ILE A 94 6.759 -11.984 -2.386 1.00 0.00 O ATOM 1378 CB ILE A 94 9.015 -10.389 -3.950 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.123 -9.045 -3.125 1.00 0.00 C ATOM 1380 CG2 ILE A 94 9.937 -11.661 -4.015 1.00 0.00 C ATOM 1381 CD1 ILE A 94 10.557 -8.533 -2.909 1.00 0.00 C ATOM 0 H ILE A 94 6.738 -9.332 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 94 7.645 -11.004 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 94 9.733 -9.838 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.550 -8.273 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.655 -9.194 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.958 -11.384 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.572 -12.411 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.922 -12.070 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.530 -7.608 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.133 -9.282 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.026 -8.346 -3.875 1.00 0.00 H new ATOM 1393 N VAL A 95 6.787 -13.065 -4.402 1.00 0.00 N ATOM 1394 CA VAL A 95 6.246 -14.324 -3.912 1.00 0.00 C ATOM 1395 C VAL A 95 7.366 -15.088 -3.191 1.00 0.00 C ATOM 1396 O VAL A 95 8.511 -14.655 -3.138 1.00 0.00 O ATOM 1397 CB VAL A 95 5.673 -15.130 -5.126 1.00 0.00 C ATOM 1398 CG1 VAL A 95 4.240 -15.648 -4.801 1.00 0.00 C ATOM 1399 CG2 VAL A 95 6.333 -15.072 -6.532 1.00 0.00 C ATOM 0 H VAL A 95 6.989 -13.058 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 95 5.434 -14.162 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 95 6.201 -16.027 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.853 -16.207 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.278 -16.299 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.585 -14.801 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.775 -15.704 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.326 -14.044 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.362 -15.427 -6.466 1.00 0.00 H new ATOM 1409 N VAL A 96 6.937 -16.250 -2.641 1.00 0.00 N ATOM 1410 CA VAL A 96 7.765 -17.190 -1.893 1.00 0.00 C ATOM 1411 C VAL A 96 8.722 -16.482 -0.914 1.00 0.00 C ATOM 1412 O VAL A 96 9.934 -16.655 -0.942 1.00 0.00 O ATOM 1413 CB VAL A 96 8.465 -18.212 -2.848 1.00 0.00 C ATOM 1414 CG1 VAL A 96 9.347 -17.499 -3.923 1.00 0.00 C ATOM 1415 CG2 VAL A 96 8.544 -19.752 -2.625 1.00 0.00 C ATOM 0 H VAL A 96 5.967 -16.557 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 96 7.109 -17.780 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 96 7.623 -18.821 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.814 -18.246 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.723 -16.841 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.120 -16.912 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 96 9.090 -20.211 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.061 -19.958 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.536 -20.166 -2.582 1.00 0.00 H new ATOM 1425 N GLY A 97 8.068 -15.678 -0.051 1.00 0.00 N ATOM 1426 CA GLY A 97 8.783 -14.913 0.957 1.00 0.00 C ATOM 1427 C GLY A 97 7.774 -14.146 1.814 1.00 0.00 C ATOM 1428 O GLY A 97 6.771 -13.644 1.323 1.00 0.00 O ATOM 0 H GLY A 97 7.056 -15.551 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.378 -15.579 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.476 -14.219 0.481 1.00 0.00 H new ATOM 1432 N LYS A 98 8.106 -14.109 3.122 1.00 0.00 N ATOM 1433 CA LYS A 98 7.275 -13.425 4.100 1.00 0.00 C ATOM 1434 C LYS A 98 8.116 -13.438 5.375 1.00 0.00 C ATOM 1435 O LYS A 98 8.273 -14.466 6.023 1.00 0.00 O ATOM 1436 CB LYS A 98 5.912 -14.127 4.281 1.00 0.00 C ATOM 1437 CG LYS A 98 5.044 -13.508 5.389 1.00 0.00 C ATOM 1438 CD LYS A 98 3.574 -13.948 5.317 1.00 0.00 C ATOM 1439 CE LYS A 98 3.376 -15.458 5.494 1.00 0.00 C ATOM 1440 NZ LYS A 98 3.854 -15.952 6.779 1.00 0.00 N ATOM 0 H LYS A 98 8.942 -14.546 3.511 1.00 0.00 H new ATOM 0 HA LYS A 98 7.015 -12.411 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.365 -14.089 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.082 -15.179 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.453 -13.785 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.096 -12.421 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.008 -13.423 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.160 -13.646 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.317 -15.694 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.897 -15.983 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.617 -16.960 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.886 -15.833 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.401 -15.416 7.547 1.00 0.00 H new ATOM 1453 N GLN A 99 8.643 -12.224 5.666 1.00 0.00 N ATOM 1454 CA GLN A 99 9.501 -11.916 6.808 1.00 0.00 C ATOM 1455 C GLN A 99 10.941 -12.050 6.291 1.00 0.00 C ATOM 1456 O GLN A 99 11.759 -11.152 6.444 1.00 0.00 O ATOM 1457 CB GLN A 99 9.217 -12.757 8.077 1.00 0.00 C ATOM 1458 CG GLN A 99 9.778 -12.151 9.376 1.00 0.00 C ATOM 1459 CD GLN A 99 11.313 -12.098 9.399 1.00 0.00 C ATOM 1460 OE1 GLN A 99 11.920 -11.035 9.394 1.00 0.00 O ATOM 1461 NE2 GLN A 99 11.891 -13.314 9.423 1.00 0.00 N ATOM 0 H GLN A 99 8.467 -11.408 5.080 1.00 0.00 H new ATOM 0 HA GLN A 99 9.301 -10.906 7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.139 -12.881 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.640 -13.752 7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.383 -11.143 9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.427 -12.738 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.312 -14.154 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.908 -13.395 9.439 1.00 0.00 H new ATOM 1470 N ASN A 100 11.193 -13.226 5.674 1.00 0.00 N ATOM 1471 CA ASN A 100 12.484 -13.551 5.098 1.00 0.00 C ATOM 1472 C ASN A 100 12.379 -13.033 3.665 1.00 0.00 C ATOM 1473 O ASN A 100 11.404 -13.299 2.970 1.00 0.00 O ATOM 1474 CB ASN A 100 12.746 -15.069 5.177 1.00 0.00 C ATOM 1475 CG ASN A 100 11.611 -15.909 4.556 1.00 0.00 C ATOM 1476 OD1 ASN A 100 10.586 -16.164 5.176 1.00 0.00 O ATOM 1477 ND2 ASN A 100 11.869 -16.319 3.300 1.00 0.00 N ATOM 0 H ASN A 100 10.497 -13.965 5.570 1.00 0.00 H new ATOM 0 HA ASN A 100 13.327 -13.101 5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.681 -15.298 4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.874 -15.356 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.185 -16.884 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.749 -16.064 2.851 1.00 0.00 H new ATOM 1484 N TRP A 101 13.423 -12.267 3.276 1.00 0.00 N ATOM 1485 CA TRP A 101 13.431 -11.688 1.944 1.00 0.00 C ATOM 1486 C TRP A 101 14.882 -11.731 1.451 1.00 0.00 C ATOM 1487 O TRP A 101 15.808 -11.808 2.250 1.00 0.00 O ATOM 1488 CB TRP A 101 12.991 -10.215 2.004 1.00 0.00 C ATOM 1489 CG TRP A 101 11.550 -10.112 2.440 1.00 0.00 C ATOM 1490 CD1 TRP A 101 11.085 -9.664 3.679 1.00 0.00 C ATOM 1491 CD2 TRP A 101 10.392 -10.441 1.656 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.731 -9.705 3.684 1.00 0.00 N ATOM 1493 CE2 TRP A 101 9.264 -10.175 2.463 1.00 0.00 C ATOM 1494 CE3 TRP A 101 10.236 -10.921 0.384 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 8.011 -10.398 1.969 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.959 -11.150 -0.118 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.843 -10.886 0.673 1.00 0.00 C ATOM 0 H TRP A 101 14.236 -12.050 3.852 1.00 0.00 H new ATOM 0 HA TRP A 101 12.754 -12.236 1.289 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.628 -9.667 2.699 1.00 0.00 H new ATOM 0 HB3 TRP A 101 13.115 -9.752 1.025 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.705 -9.338 4.501 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.141 -9.431 4.469 1.00 0.00 H new ATOM 0 HE3 TRP A 101 11.102 -11.122 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.146 -10.196 2.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.833 -11.532 -1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.850 -11.059 0.284 1.00 0.00 H new ATOM 1508 N PRO A 102 15.059 -11.662 0.091 1.00 0.00 N ATOM 1509 CA PRO A 102 16.392 -11.646 -0.512 1.00 0.00 C ATOM 1510 C PRO A 102 17.023 -10.261 -0.209 1.00 0.00 C ATOM 1511 O PRO A 102 16.723 -9.617 0.789 1.00 0.00 O ATOM 1512 CB PRO A 102 16.147 -11.902 -2.023 1.00 0.00 C ATOM 1513 CG PRO A 102 14.679 -12.302 -2.160 1.00 0.00 C ATOM 1514 CD PRO A 102 13.986 -11.787 -0.901 1.00 0.00 C ATOM 0 HA PRO A 102 17.085 -12.395 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.362 -11.008 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.801 -12.691 -2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.237 -11.865 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.575 -13.383 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.500 -10.828 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.213 -12.478 -0.564 1.00 0.00 H new ATOM 1522 N ASP A 103 17.876 -9.824 -1.164 1.00 0.00 N ATOM 1523 CA ASP A 103 18.599 -8.563 -1.070 1.00 0.00 C ATOM 1524 C ASP A 103 17.615 -7.403 -1.301 1.00 0.00 C ATOM 1525 O ASP A 103 17.868 -6.280 -0.881 1.00 0.00 O ATOM 1526 CB ASP A 103 19.771 -8.541 -2.075 1.00 0.00 C ATOM 1527 CG ASP A 103 19.305 -8.728 -3.535 1.00 0.00 C ATOM 1528 OD1 ASP A 103 19.226 -9.869 -3.991 1.00 0.00 O ATOM 1529 OD2 ASP A 103 19.029 -7.729 -4.199 1.00 0.00 O ATOM 0 H ASP A 103 18.073 -10.347 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 103 19.032 -8.451 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.303 -7.594 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.479 -9.330 -1.820 1.00 0.00 H new ATOM 1534 N VAL A 104 16.491 -7.733 -1.981 1.00 0.00 N ATOM 1535 CA VAL A 104 15.460 -6.753 -2.294 1.00 0.00 C ATOM 1536 C VAL A 104 14.929 -6.083 -1.029 1.00 0.00 C ATOM 1537 O VAL A 104 15.205 -4.911 -0.812 1.00 0.00 O ATOM 1538 CB VAL A 104 14.322 -7.341 -3.198 1.00 0.00 C ATOM 1539 CG1 VAL A 104 13.890 -8.763 -2.720 1.00 0.00 C ATOM 1540 CG2 VAL A 104 13.380 -6.464 -4.059 1.00 0.00 C ATOM 0 H VAL A 104 16.289 -8.675 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 104 15.929 -5.972 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 104 14.798 -7.432 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.100 -9.140 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.746 -9.436 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.522 -8.706 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.677 -7.102 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.829 -5.779 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.969 -5.892 -4.776 1.00 0.00 H new ATOM 1550 N GLU A 105 14.191 -6.854 -0.194 1.00 0.00 N ATOM 1551 CA GLU A 105 13.668 -6.227 1.007 1.00 0.00 C ATOM 1552 C GLU A 105 14.703 -6.390 2.126 1.00 0.00 C ATOM 1553 O GLU A 105 14.322 -6.345 3.281 1.00 0.00 O ATOM 1554 CB GLU A 105 12.288 -6.742 1.464 1.00 0.00 C ATOM 1555 CG GLU A 105 11.227 -6.918 0.360 1.00 0.00 C ATOM 1556 CD GLU A 105 10.584 -5.591 -0.092 1.00 0.00 C ATOM 1557 OE1 GLU A 105 10.079 -4.859 0.759 1.00 0.00 O ATOM 1558 OE2 GLU A 105 10.576 -5.309 -1.289 1.00 0.00 O ATOM 0 H GLU A 105 13.965 -7.840 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 105 13.499 -5.177 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.428 -7.702 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.895 -6.052 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.687 -7.402 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.446 -7.587 0.721 1.00 0.00 H new ATOM 1565 N GLN A 106 16.002 -6.595 1.793 1.00 0.00 N ATOM 1566 CA GLN A 106 17.004 -6.664 2.857 1.00 0.00 C ATOM 1567 C GLN A 106 17.183 -5.204 3.320 1.00 0.00 C ATOM 1568 O GLN A 106 17.258 -4.890 4.503 1.00 0.00 O ATOM 1569 CB GLN A 106 18.333 -7.236 2.336 1.00 0.00 C ATOM 1570 CG GLN A 106 19.436 -7.303 3.403 1.00 0.00 C ATOM 1571 CD GLN A 106 20.715 -7.915 2.818 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.694 -7.229 2.551 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.638 -9.247 2.639 1.00 0.00 N ATOM 0 H GLN A 106 16.357 -6.709 0.843 1.00 0.00 H new ATOM 0 HA GLN A 106 16.691 -7.322 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.158 -8.238 1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.681 -6.624 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.645 -6.302 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.095 -7.899 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.784 -9.746 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 106 21.434 -9.757 2.255 1.00 0.00 H new ATOM 1582 N ARG A 107 17.223 -4.342 2.280 1.00 0.00 N ATOM 1583 CA ARG A 107 17.362 -2.911 2.457 1.00 0.00 C ATOM 1584 C ARG A 107 15.974 -2.371 2.828 1.00 0.00 C ATOM 1585 O ARG A 107 15.880 -1.415 3.589 1.00 0.00 O ATOM 1586 CB ARG A 107 17.956 -2.259 1.190 1.00 0.00 C ATOM 1587 CG ARG A 107 17.272 -2.695 -0.119 1.00 0.00 C ATOM 1588 CD ARG A 107 17.832 -2.008 -1.369 1.00 0.00 C ATOM 1589 NE ARG A 107 17.583 -0.572 -1.317 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.691 0.223 -2.405 1.00 0.00 C ATOM 1591 NH1 ARG A 107 18.054 -0.267 -3.588 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.428 1.521 -2.291 1.00 0.00 N ATOM 0 H ARG A 107 17.159 -4.634 1.305 1.00 0.00 H new ATOM 0 HA ARG A 107 18.063 -2.668 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.882 -1.175 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.017 -2.502 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.378 -3.774 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.205 -2.485 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.903 -2.195 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.371 -2.431 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 107 17.317 -0.152 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.257 -1.262 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.129 0.352 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.148 1.907 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.506 2.131 -3.105 1.00 0.00 H new ATOM 1606 N PHE A 108 14.908 -3.024 2.291 1.00 0.00 N ATOM 1607 CA PHE A 108 13.566 -2.550 2.621 1.00 0.00 C ATOM 1608 C PHE A 108 13.048 -3.333 3.847 1.00 0.00 C ATOM 1609 O PHE A 108 11.848 -3.349 4.083 1.00 0.00 O ATOM 1610 CB PHE A 108 12.588 -2.627 1.434 1.00 0.00 C ATOM 1611 CG PHE A 108 13.179 -2.142 0.134 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.822 -0.910 0.047 1.00 0.00 C ATOM 1613 CD2 PHE A 108 13.082 -2.926 -1.011 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.356 -0.478 -1.159 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.616 -2.501 -2.217 1.00 0.00 C ATOM 1616 CZ PHE A 108 14.258 -1.277 -2.289 1.00 0.00 C ATOM 0 H PHE A 108 14.957 -3.829 1.667 1.00 0.00 H new ATOM 0 HA PHE A 108 13.629 -1.489 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.259 -3.659 1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.702 -2.035 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.906 -0.286 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.582 -3.882 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.848 0.481 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.532 -3.122 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.683 -0.944 -3.225 1.00 0.00 H new ATOM 1626 N LYS A 109 13.965 -4.018 4.580 1.00 0.00 N ATOM 1627 CA LYS A 109 13.605 -4.730 5.812 1.00 0.00 C ATOM 1628 C LYS A 109 13.811 -3.683 6.910 1.00 0.00 C ATOM 1629 O LYS A 109 13.030 -3.563 7.846 1.00 0.00 O ATOM 1630 CB LYS A 109 14.460 -5.990 6.091 1.00 0.00 C ATOM 1631 CG LYS A 109 13.711 -7.319 5.873 1.00 0.00 C ATOM 1632 CD LYS A 109 12.984 -7.838 7.123 1.00 0.00 C ATOM 1633 CE LYS A 109 11.724 -7.043 7.476 1.00 0.00 C ATOM 1634 NZ LYS A 109 10.977 -7.658 8.567 1.00 0.00 N ATOM 0 H LYS A 109 14.952 -4.086 4.332 1.00 0.00 H new ATOM 0 HA LYS A 109 12.588 -5.117 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.338 -5.970 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.819 -5.952 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 109 12.985 -7.188 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.422 -8.074 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.713 -8.882 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.670 -7.810 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.003 -6.027 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.085 -6.968 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.132 -7.088 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.688 -8.618 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.578 -7.707 9.415 1.00 0.00 H new ATOM 1647 N ALA A 110 14.929 -2.936 6.709 1.00 0.00 N ATOM 1648 CA ALA A 110 15.351 -1.863 7.595 1.00 0.00 C ATOM 1649 C ALA A 110 14.230 -0.815 7.616 1.00 0.00 C ATOM 1650 O ALA A 110 13.964 -0.196 8.639 1.00 0.00 O ATOM 1651 CB ALA A 110 16.679 -1.266 7.104 1.00 0.00 C ATOM 0 H ALA A 110 15.555 -3.077 5.916 1.00 0.00 H new ATOM 0 HA ALA A 110 15.524 -2.231 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 110 16.987 -0.463 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.444 -2.042 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.549 -0.869 6.097 1.00 0.00 H new ATOM 1657 N MET A 111 13.586 -0.664 6.433 1.00 0.00 N ATOM 1658 CA MET A 111 12.474 0.260 6.299 1.00 0.00 C ATOM 1659 C MET A 111 11.278 -0.518 6.868 1.00 0.00 C ATOM 1660 O MET A 111 10.643 -0.104 7.831 1.00 0.00 O ATOM 1661 CB MET A 111 12.321 0.684 4.827 1.00 0.00 C ATOM 1662 CG MET A 111 13.591 1.366 4.302 1.00 0.00 C ATOM 1663 SD MET A 111 13.366 2.051 2.652 1.00 0.00 S ATOM 1664 CE MET A 111 12.917 3.734 3.112 1.00 0.00 C ATOM 0 H MET A 111 13.826 -1.169 5.580 1.00 0.00 H new ATOM 0 HA MET A 111 12.596 1.202 6.835 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.098 -0.191 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.475 1.364 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 111 13.883 2.162 4.987 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.408 0.645 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.788 4.335 2.212 1.00 0.00 H new ATOM 0 HE2 MET A 111 11.984 3.720 3.676 1.00 0.00 H new ATOM 0 HE3 MET A 111 13.707 4.166 3.727 1.00 0.00 H new ATOM 1674 N GLY A 112 11.057 -1.678 6.207 1.00 0.00 N ATOM 1675 CA GLY A 112 10.038 -2.685 6.499 1.00 0.00 C ATOM 1676 C GLY A 112 8.708 -2.192 7.083 1.00 0.00 C ATOM 1677 O GLY A 112 8.140 -2.817 7.970 1.00 0.00 O ATOM 0 H GLY A 112 11.629 -1.942 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.822 -3.224 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.466 -3.406 7.196 1.00 0.00 H new ATOM 1681 N PHE A 113 8.245 -1.051 6.527 1.00 0.00 N ATOM 1682 CA PHE A 113 6.967 -0.492 6.960 1.00 0.00 C ATOM 1683 C PHE A 113 5.854 -1.203 6.155 1.00 0.00 C ATOM 1684 O PHE A 113 4.672 -1.001 6.403 1.00 0.00 O ATOM 1685 CB PHE A 113 6.935 1.042 6.803 1.00 0.00 C ATOM 1686 CG PHE A 113 7.376 1.509 5.440 1.00 0.00 C ATOM 1687 CD1 PHE A 113 6.563 1.320 4.327 1.00 0.00 C ATOM 1688 CD2 PHE A 113 8.608 2.137 5.275 1.00 0.00 C ATOM 1689 CE1 PHE A 113 6.977 1.734 3.071 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.018 2.564 4.020 1.00 0.00 C ATOM 1691 CZ PHE A 113 8.203 2.359 2.919 1.00 0.00 C ATOM 0 H PHE A 113 8.727 -0.521 5.801 1.00 0.00 H new ATOM 0 HA PHE A 113 6.811 -0.668 8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 113 5.923 1.399 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.578 1.492 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.600 0.846 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.249 2.293 6.130 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.344 1.569 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.972 3.056 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.524 2.687 1.941 1.00 0.00 H new ATOM 1701 N ASP A 114 6.304 -2.034 5.187 1.00 0.00 N ATOM 1702 CA ASP A 114 5.443 -2.804 4.316 1.00 0.00 C ATOM 1703 C ASP A 114 5.499 -4.239 4.852 1.00 0.00 C ATOM 1704 O ASP A 114 6.567 -4.772 5.129 1.00 0.00 O ATOM 1705 CB ASP A 114 5.924 -2.703 2.852 1.00 0.00 C ATOM 1706 CG ASP A 114 7.323 -3.321 2.629 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.315 -2.715 3.037 1.00 0.00 O ATOM 1708 OD2 ASP A 114 7.399 -4.403 2.048 1.00 0.00 O ATOM 0 H ASP A 114 7.297 -2.177 5.001 1.00 0.00 H new ATOM 0 HA ASP A 114 4.417 -2.436 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.205 -3.204 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.945 -1.655 2.554 1.00 0.00 H new ATOM 1713 N ARG A 115 4.287 -4.818 4.995 1.00 0.00 N ATOM 1714 CA ARG A 115 4.148 -6.193 5.455 1.00 0.00 C ATOM 1715 C ARG A 115 3.666 -6.904 4.191 1.00 0.00 C ATOM 1716 O ARG A 115 3.550 -6.277 3.145 1.00 0.00 O ATOM 1717 CB ARG A 115 3.200 -6.323 6.670 1.00 0.00 C ATOM 1718 CG ARG A 115 2.395 -5.063 7.039 1.00 0.00 C ATOM 1719 CD ARG A 115 3.225 -4.014 7.790 1.00 0.00 C ATOM 1720 NE ARG A 115 2.344 -2.970 8.292 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.805 -1.954 9.052 1.00 0.00 C ATOM 1722 NH1 ARG A 115 4.100 -1.837 9.340 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.948 -1.057 9.524 1.00 0.00 N ATOM 0 H ARG A 115 3.404 -4.348 4.797 1.00 0.00 H new ATOM 0 HA ARG A 115 5.066 -6.628 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.498 -7.133 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.791 -6.618 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.994 -4.616 6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.543 -5.351 7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.761 -4.481 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.975 -3.584 7.126 1.00 0.00 H new ATOM 0 HE ARG A 115 1.351 -3.007 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.766 -2.523 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.426 -1.061 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.954 -1.140 9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.284 -0.285 10.099 1.00 0.00 H new ATOM 1737 N VAL A 116 3.405 -8.225 4.308 1.00 0.00 N ATOM 1738 CA VAL A 116 2.947 -8.934 3.119 1.00 0.00 C ATOM 1739 C VAL A 116 1.858 -9.925 3.486 1.00 0.00 C ATOM 1740 O VAL A 116 1.709 -10.359 4.622 1.00 0.00 O ATOM 1741 CB VAL A 116 4.130 -9.658 2.386 1.00 0.00 C ATOM 1742 CG1 VAL A 116 5.104 -8.585 1.817 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.548 -11.132 2.631 1.00 0.00 C ATOM 0 H VAL A 116 3.498 -8.781 5.158 1.00 0.00 H new ATOM 0 HA VAL A 116 2.536 -8.198 2.428 1.00 0.00 H new ATOM 0 HB VAL A 116 3.700 -10.271 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.930 -9.078 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.571 -7.946 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.494 -7.978 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.396 -11.380 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.829 -11.261 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.712 -11.791 2.396 1.00 0.00 H new ATOM 1753 N TYR A 117 1.149 -10.278 2.390 1.00 0.00 N ATOM 1754 CA TYR A 117 0.061 -11.240 2.517 1.00 0.00 C ATOM 1755 C TYR A 117 0.691 -12.565 2.054 1.00 0.00 C ATOM 1756 O TYR A 117 1.647 -12.570 1.286 1.00 0.00 O ATOM 1757 CB TYR A 117 -1.117 -10.866 1.605 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.898 -9.659 2.062 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.311 -8.410 2.249 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -3.265 -9.776 2.255 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -2.074 -7.297 2.550 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -4.044 -8.674 2.575 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.458 -7.413 2.695 1.00 0.00 C ATOM 1764 OH TYR A 117 -4.247 -6.300 2.944 1.00 0.00 O ATOM 0 H TYR A 117 1.310 -9.921 1.448 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.340 -11.283 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.738 -10.680 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.794 -11.718 1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.240 -8.309 2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.733 -10.744 2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.598 -6.335 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -5.106 -8.792 2.732 1.00 0.00 H new ATOM 0 HH TYR A 117 -4.100 -5.632 2.243 1.00 0.00 H new ATOM 1774 N PRO A 118 0.126 -13.706 2.553 1.00 0.00 N ATOM 1775 CA PRO A 118 0.644 -15.028 2.224 1.00 0.00 C ATOM 1776 C PRO A 118 0.222 -15.334 0.775 1.00 0.00 C ATOM 1777 O PRO A 118 -0.713 -14.738 0.252 1.00 0.00 O ATOM 1778 CB PRO A 118 -0.073 -15.963 3.214 1.00 0.00 C ATOM 1779 CG PRO A 118 -1.386 -15.244 3.528 1.00 0.00 C ATOM 1780 CD PRO A 118 -1.040 -13.756 3.445 1.00 0.00 C ATOM 0 HA PRO A 118 1.727 -15.128 2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.252 -16.945 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.520 -16.119 4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.165 -15.510 2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.757 -15.510 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.872 -13.175 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.807 -13.346 4.428 1.00 0.00 H new ATOM 1788 N PRO A 119 0.952 -16.303 0.140 1.00 0.00 N ATOM 1789 CA PRO A 119 0.661 -16.726 -1.226 1.00 0.00 C ATOM 1790 C PRO A 119 -0.617 -17.566 -1.084 1.00 0.00 C ATOM 1791 O PRO A 119 -0.645 -18.604 -0.433 1.00 0.00 O ATOM 1792 CB PRO A 119 1.882 -17.560 -1.642 1.00 0.00 C ATOM 1793 CG PRO A 119 2.484 -18.055 -0.322 1.00 0.00 C ATOM 1794 CD PRO A 119 2.110 -16.992 0.715 1.00 0.00 C ATOM 0 HA PRO A 119 0.502 -15.943 -1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.593 -18.393 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.598 -16.960 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.083 -19.031 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.566 -18.166 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.865 -17.445 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.935 -16.302 0.890 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.660 -17.019 -1.737 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.998 -17.588 -1.725 1.00 0.00 C ATOM 1804 C GLY A 120 -3.871 -16.583 -0.981 1.00 0.00 C ATOM 1805 O GLY A 120 -3.492 -16.099 0.080 1.00 0.00 O ATOM 0 H GLY A 120 -1.585 -16.164 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -3.364 -17.748 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.006 -18.557 -1.227 1.00 0.00 H new ATOM 1809 N THR A 121 -5.046 -16.283 -1.586 1.00 0.00 N ATOM 1810 CA THR A 121 -5.920 -15.305 -0.957 1.00 0.00 C ATOM 1811 C THR A 121 -6.549 -15.961 0.249 1.00 0.00 C ATOM 1812 O THR A 121 -6.626 -17.169 0.437 1.00 0.00 O ATOM 1813 CB THR A 121 -7.002 -14.694 -1.900 1.00 0.00 C ATOM 1814 OG1 THR A 121 -7.815 -13.588 -1.374 1.00 0.00 O ATOM 1815 CG2 THR A 121 -7.801 -15.797 -2.656 1.00 0.00 C ATOM 0 H THR A 121 -5.384 -16.686 -2.460 1.00 0.00 H new ATOM 0 HA THR A 121 -5.310 -14.448 -0.671 1.00 0.00 H new ATOM 0 HB THR A 121 -6.420 -14.151 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 121 -8.636 -13.505 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.544 -15.330 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.117 -16.392 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 121 -8.302 -16.443 -1.935 1.00 0.00 H new ATOM 1823 N SER A 122 -6.964 -14.975 1.042 1.00 0.00 N ATOM 1824 CA SER A 122 -7.593 -15.148 2.311 1.00 0.00 C ATOM 1825 C SER A 122 -7.985 -13.715 2.655 1.00 0.00 C ATOM 1826 O SER A 122 -7.127 -12.844 2.759 1.00 0.00 O ATOM 1827 CB SER A 122 -6.546 -15.682 3.323 1.00 0.00 C ATOM 1828 OG SER A 122 -5.221 -15.018 3.359 1.00 0.00 O ATOM 0 H SER A 122 -6.857 -13.993 0.787 1.00 0.00 H new ATOM 0 HA SER A 122 -8.430 -15.846 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.981 -15.618 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.386 -16.739 3.113 1.00 0.00 H new ATOM 0 HG SER A 122 -5.269 -14.223 3.930 1.00 0.00 H new ATOM 1834 N PRO A 123 -9.311 -13.479 2.827 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.796 -12.147 3.138 1.00 0.00 C ATOM 1836 C PRO A 123 -9.567 -11.876 4.633 1.00 0.00 C ATOM 1837 O PRO A 123 -9.814 -10.774 5.102 1.00 0.00 O ATOM 1838 CB PRO A 123 -11.284 -12.243 2.815 1.00 0.00 C ATOM 1839 CG PRO A 123 -11.650 -13.705 3.070 1.00 0.00 C ATOM 1840 CD PRO A 123 -10.377 -14.479 2.737 1.00 0.00 C ATOM 0 HA PRO A 123 -9.304 -11.343 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.869 -11.574 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -11.483 -11.961 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.952 -13.864 4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -12.483 -14.021 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -10.214 -15.298 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -10.428 -14.918 1.741 1.00 0.00 H new ATOM 1848 N GLU A 124 -9.075 -12.932 5.328 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.758 -12.960 6.740 1.00 0.00 C ATOM 1850 C GLU A 124 -7.614 -11.970 6.978 1.00 0.00 C ATOM 1851 O GLU A 124 -7.569 -11.280 7.989 1.00 0.00 O ATOM 1852 CB GLU A 124 -8.324 -14.397 7.086 1.00 0.00 C ATOM 1853 CG GLU A 124 -7.823 -14.559 8.529 1.00 0.00 C ATOM 1854 CD GLU A 124 -7.528 -16.036 8.839 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -6.415 -16.485 8.566 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -8.414 -16.722 9.349 1.00 0.00 O ATOM 0 H GLU A 124 -8.886 -13.826 4.874 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.607 -12.680 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.166 -15.070 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.535 -14.704 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.921 -13.964 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.572 -14.179 9.224 1.00 0.00 H new ATOM 1863 N THR A 125 -6.702 -11.946 5.980 1.00 0.00 N ATOM 1864 CA THR A 125 -5.541 -11.091 6.045 1.00 0.00 C ATOM 1865 C THR A 125 -5.996 -9.648 5.796 1.00 0.00 C ATOM 1866 O THR A 125 -5.305 -8.727 6.210 1.00 0.00 O ATOM 1867 CB THR A 125 -4.502 -11.537 4.968 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.470 -12.931 4.537 1.00 0.00 O ATOM 1869 CG2 THR A 125 -3.092 -10.978 5.289 1.00 0.00 C ATOM 0 H THR A 125 -6.765 -12.512 5.134 1.00 0.00 H new ATOM 0 HA THR A 125 -5.066 -11.160 7.024 1.00 0.00 H new ATOM 0 HB THR A 125 -4.901 -11.074 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.979 -13.001 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.388 -11.304 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.128 -9.889 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.767 -11.348 6.261 1.00 0.00 H new ATOM 1877 N THR A 126 -7.157 -9.467 5.105 1.00 0.00 N ATOM 1878 CA THR A 126 -7.568 -8.102 4.860 1.00 0.00 C ATOM 1879 C THR A 126 -8.275 -7.544 6.090 1.00 0.00 C ATOM 1880 O THR A 126 -8.303 -6.335 6.292 1.00 0.00 O ATOM 1881 CB THR A 126 -8.483 -7.796 3.671 1.00 0.00 C ATOM 1882 OG1 THR A 126 -9.930 -7.897 3.873 1.00 0.00 O ATOM 1883 CG2 THR A 126 -7.963 -8.392 2.337 1.00 0.00 C ATOM 0 H THR A 126 -7.766 -10.200 4.743 1.00 0.00 H new ATOM 0 HA THR A 126 -6.613 -7.638 4.615 1.00 0.00 H new ATOM 0 HB THR A 126 -8.392 -6.714 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.389 -7.770 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 126 -8.654 -8.141 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.980 -7.979 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 126 -7.889 -9.476 2.427 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.865 -8.445 6.906 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.481 -7.937 8.126 1.00 0.00 C ATOM 1893 C ILE A 127 -8.291 -7.447 8.983 1.00 0.00 C ATOM 1894 O ILE A 127 -8.421 -6.557 9.814 1.00 0.00 O ATOM 1895 CB ILE A 127 -10.325 -9.024 8.865 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.957 -10.113 7.982 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.860 -8.430 10.208 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -11.839 -11.149 8.707 1.00 0.00 C ATOM 0 H ILE A 127 -8.922 -9.452 6.752 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.195 -7.140 7.917 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.826 -9.887 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.560 -9.626 7.216 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -10.156 -10.645 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -11.450 -9.183 10.729 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -10.019 -8.130 10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.484 -7.561 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -12.229 -11.865 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -11.244 -11.675 9.453 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.669 -10.641 9.198 1.00 0.00 H new ATOM 1910 N ALA A 128 -7.122 -8.073 8.676 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.878 -7.761 9.321 1.00 0.00 C ATOM 1912 C ALA A 128 -5.210 -6.606 8.568 1.00 0.00 C ATOM 1913 O ALA A 128 -4.209 -6.098 9.049 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.982 -9.005 9.433 1.00 0.00 C ATOM 0 H ALA A 128 -7.047 -8.805 7.969 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.058 -7.439 10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.047 -8.737 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.493 -9.770 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.769 -9.391 8.436 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.769 -6.170 7.409 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.146 -5.073 6.681 1.00 0.00 C ATOM 1922 C ASP A 129 -5.164 -3.827 7.587 1.00 0.00 C ATOM 1923 O ASP A 129 -4.134 -3.254 7.919 1.00 0.00 O ATOM 1924 CB ASP A 129 -5.865 -4.787 5.345 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.045 -3.945 4.338 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -3.924 -3.543 4.648 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -5.550 -3.691 3.246 1.00 0.00 O ATOM 0 H ASP A 129 -6.614 -6.553 6.986 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.121 -5.346 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.125 -5.737 4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.800 -4.268 5.555 1.00 0.00 H new ATOM 1932 N MET A 130 -6.405 -3.475 7.976 1.00 0.00 N ATOM 1933 CA MET A 130 -6.611 -2.285 8.793 1.00 0.00 C ATOM 1934 C MET A 130 -6.494 -2.621 10.291 1.00 0.00 C ATOM 1935 O MET A 130 -6.456 -1.702 11.098 1.00 0.00 O ATOM 1936 CB MET A 130 -7.995 -1.649 8.551 1.00 0.00 C ATOM 1937 CG MET A 130 -8.274 -1.216 7.113 1.00 0.00 C ATOM 1938 SD MET A 130 -7.029 -0.075 6.484 1.00 0.00 S ATOM 1939 CE MET A 130 -6.133 -1.204 5.409 1.00 0.00 C ATOM 0 H MET A 130 -7.254 -3.989 7.740 1.00 0.00 H new ATOM 0 HA MET A 130 -5.836 -1.576 8.502 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.762 -2.362 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.095 -0.779 9.200 1.00 0.00 H new ATOM 0 HG2 MET A 130 -8.312 -2.097 6.472 1.00 0.00 H new ATOM 0 HG3 MET A 130 -9.255 -0.743 7.063 1.00 0.00 H new ATOM 0 HE1 MET A 130 -5.108 -1.309 5.765 1.00 0.00 H new ATOM 0 HE2 MET A 130 -6.621 -2.178 5.417 1.00 0.00 H new ATOM 0 HE3 MET A 130 -6.125 -0.810 4.393 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.452 -3.918 10.668 1.00 0.00 N ATOM 1950 CA LYS A 131 -6.384 -4.212 12.099 1.00 0.00 C ATOM 1951 C LYS A 131 -4.912 -4.289 12.524 1.00 0.00 C ATOM 1952 O LYS A 131 -4.509 -3.659 13.492 1.00 0.00 O ATOM 1953 CB LYS A 131 -7.171 -5.492 12.419 1.00 0.00 C ATOM 1954 CG LYS A 131 -7.194 -5.862 13.908 1.00 0.00 C ATOM 1955 CD LYS A 131 -8.108 -7.061 14.199 1.00 0.00 C ATOM 1956 CE LYS A 131 -7.666 -8.348 13.491 1.00 0.00 C ATOM 1957 NZ LYS A 131 -8.501 -9.489 13.845 1.00 0.00 N ATOM 0 H LYS A 131 -6.463 -4.724 10.042 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.853 -3.414 12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.197 -5.371 12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.739 -6.320 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -6.181 -6.092 14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -7.531 -5.003 14.488 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.133 -7.237 15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.125 -6.817 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.700 -8.197 12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.630 -8.565 13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -8.164 -10.335 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.449 -9.652 14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.486 -9.295 13.575 1.00 0.00 H new ATOM 1970 N GLU A 132 -4.132 -5.079 11.753 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.719 -5.307 12.045 1.00 0.00 C ATOM 1972 C GLU A 132 -1.993 -3.969 12.174 1.00 0.00 C ATOM 1973 O GLU A 132 -1.280 -3.710 13.134 1.00 0.00 O ATOM 1974 CB GLU A 132 -2.051 -6.219 11.000 1.00 0.00 C ATOM 1975 CG GLU A 132 -0.644 -6.669 11.422 1.00 0.00 C ATOM 1976 CD GLU A 132 -0.006 -7.570 10.350 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.431 -8.718 10.217 1.00 0.00 O ATOM 1978 OE2 GLU A 132 0.908 -7.118 9.661 1.00 0.00 O ATOM 0 H GLU A 132 -4.469 -5.566 10.923 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.649 -5.834 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.676 -7.097 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.989 -5.691 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.014 -5.795 11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.699 -7.207 12.368 1.00 0.00 H new ATOM 1985 N VAL A 133 -2.229 -3.144 11.147 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.595 -1.830 11.112 1.00 0.00 C ATOM 1987 C VAL A 133 -2.163 -0.889 12.195 1.00 0.00 C ATOM 1988 O VAL A 133 -1.438 -0.426 13.068 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.678 -1.247 9.657 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.267 0.261 9.656 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.455 -2.098 8.386 1.00 0.00 C ATOM 0 H VAL A 133 -2.835 -3.357 10.355 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.538 -1.930 11.360 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.737 -1.346 9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.329 0.654 8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -1.940 0.822 10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.245 0.360 10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.565 -1.469 7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.452 -2.524 8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.190 -2.902 8.353 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.484 -0.632 12.074 1.00 0.00 N ATOM 2002 CA LEU A 134 -4.173 0.274 12.983 1.00 0.00 C ATOM 2003 C LEU A 134 -4.725 -0.511 14.185 1.00 0.00 C ATOM 2004 O LEU A 134 -5.901 -0.404 14.512 1.00 0.00 O ATOM 2005 CB LEU A 134 -5.250 1.087 12.234 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.700 1.760 10.934 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -4.828 0.798 9.717 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -4.407 3.274 10.752 1.00 0.00 C ATOM 0 H LEU A 134 -4.081 -1.043 11.356 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.468 1.005 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -6.081 0.431 11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.646 1.856 12.897 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.690 2.062 11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.439 1.287 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -4.258 -0.111 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.877 0.543 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.033 3.454 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.324 3.843 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -3.658 3.590 11.479 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.829 -1.284 14.836 1.00 0.00 N ATOM 2021 CA GLY A 135 -4.234 -2.043 16.012 1.00 0.00 C ATOM 2022 C GLY A 135 -3.002 -2.544 16.767 1.00 0.00 C ATOM 2023 O GLY A 135 -2.616 -1.994 17.792 1.00 0.00 O ATOM 0 H GLY A 135 -2.851 -1.390 14.568 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.841 -1.417 16.666 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.855 -2.888 15.713 1.00 0.00 H new