USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot -141:sc= -0.908 USER MOD Set 1.2: A 119 ASN : amide:sc= -0.838 K(o=-1.7,f=-6.4!) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00348) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0894 X(o=-0.089,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.06! C(o=-7!,f=-4.1!) USER MOD Single : A 15 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.59) USER MOD Single : A 16 ASN : amide:sc= -2.67! C(o=-2.7!,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot 4:sc= 0.557 USER MOD Single : A 31 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -1.83 (180deg=-3.05!) USER MOD Single : A 42 MET CE :methyl 173:sc= 0 (180deg=-0.0448) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00567 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 103:sc= 0.152 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 64 HIS : no HE2:sc= -18.9! C(o=-19!,f=-25!) USER MOD Single : A 66 SER OG : rot 98:sc= -0.162 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -3.69 K(o=-3.7,f=-6.6!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.092 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -2.78 K(o=-2.8,f=-8.1!) USER MOD Single : A 105 MET CE :methyl 165:sc= -2.32 (180deg=-2.95) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.985 K(o=-0.99,f=-7.7!) USER MOD Single : A 125 LYS NZ :NH3+ -131:sc= 0.751 (180deg=-0.357) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.677 -6.106 -2.492 1.00 0.00 N ATOM 21 CA LYS A 2 -20.680 -5.042 -2.498 1.00 0.00 C ATOM 22 C LYS A 2 -19.331 -5.557 -2.005 1.00 0.00 C ATOM 23 O LYS A 2 -19.146 -5.799 -0.812 1.00 0.00 O ATOM 24 CB LYS A 2 -21.143 -3.875 -1.624 1.00 0.00 C ATOM 25 CG LYS A 2 -20.640 -2.522 -2.098 1.00 0.00 C ATOM 26 CD LYS A 2 -21.678 -1.433 -1.881 1.00 0.00 C ATOM 27 CE LYS A 2 -22.447 -1.134 -3.157 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.253 -2.302 -3.607 1.00 0.00 N ATOM 0 HA LYS A 2 -20.563 -4.694 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.233 -3.860 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.804 -4.041 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.725 -2.265 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.386 -2.578 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.373 -1.742 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.187 -0.526 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.105 -0.281 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.748 -0.851 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.788 -2.046 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.620 -3.099 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.915 -2.578 -2.854 1.00 0.00 H new ATOM 42 N LYS A 3 -18.392 -5.723 -2.931 1.00 0.00 N ATOM 43 CA LYS A 3 -17.060 -6.209 -2.591 1.00 0.00 C ATOM 44 C LYS A 3 -15.991 -5.464 -3.383 1.00 0.00 C ATOM 45 O LYS A 3 -16.188 -5.135 -4.553 1.00 0.00 O ATOM 46 CB LYS A 3 -16.958 -7.711 -2.861 1.00 0.00 C ATOM 47 CG LYS A 3 -17.128 -8.079 -4.326 1.00 0.00 C ATOM 48 CD LYS A 3 -16.845 -9.553 -4.566 1.00 0.00 C ATOM 49 CE LYS A 3 -18.128 -10.365 -4.626 1.00 0.00 C ATOM 50 NZ LYS A 3 -17.864 -11.802 -4.911 1.00 0.00 N ATOM 0 H LYS A 3 -18.529 -5.528 -3.923 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.893 -6.026 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.988 -8.069 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.716 -8.229 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.144 -7.846 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.456 -7.474 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.295 -9.671 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.208 -9.936 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.659 -10.275 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.780 -9.956 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.765 -12.321 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.380 -11.891 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.262 -12.200 -4.162 1.00 0.00 H new ATOM 64 N LEU A 4 -14.858 -5.201 -2.739 1.00 0.00 N ATOM 65 CA LEU A 4 -13.759 -4.494 -3.385 1.00 0.00 C ATOM 66 C LEU A 4 -12.411 -5.001 -2.880 1.00 0.00 C ATOM 67 O LEU A 4 -12.214 -5.181 -1.678 1.00 0.00 O ATOM 68 CB LEU A 4 -13.880 -2.989 -3.140 1.00 0.00 C ATOM 69 CG LEU A 4 -13.669 -2.549 -1.689 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.458 -1.636 -1.577 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.913 -1.854 -1.153 1.00 0.00 C ATOM 0 H LEU A 4 -14.678 -5.467 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.817 -4.685 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.153 -2.475 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.869 -2.662 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.486 -3.438 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.325 -1.334 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.569 -2.167 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.611 -0.751 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.743 -1.549 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.129 -0.975 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.759 -2.540 -1.194 1.00 0.00 H new ATOM 83 N GLN A 5 -11.490 -5.239 -3.809 1.00 0.00 N ATOM 84 CA GLN A 5 -10.163 -5.738 -3.466 1.00 0.00 C ATOM 85 C GLN A 5 -9.113 -4.638 -3.511 1.00 0.00 C ATOM 86 O GLN A 5 -9.239 -3.663 -4.250 1.00 0.00 O ATOM 87 CB GLN A 5 -9.757 -6.851 -4.422 1.00 0.00 C ATOM 88 CG GLN A 5 -10.790 -7.952 -4.517 1.00 0.00 C ATOM 89 CD GLN A 5 -10.234 -9.231 -5.112 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.722 -9.719 -6.131 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.207 -9.782 -4.476 1.00 0.00 N ATOM 0 H GLN A 5 -11.639 -5.094 -4.808 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.217 -6.120 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.591 -6.429 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.809 -7.277 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.184 -8.161 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.626 -7.608 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.834 -9.343 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.791 -10.644 -4.829 1.00 0.00 H new ATOM 100 N ILE A 6 -8.067 -4.821 -2.718 1.00 0.00 N ATOM 101 CA ILE A 6 -6.972 -3.875 -2.654 1.00 0.00 C ATOM 102 C ILE A 6 -5.653 -4.596 -2.399 1.00 0.00 C ATOM 103 O ILE A 6 -5.525 -5.354 -1.438 1.00 0.00 O ATOM 104 CB ILE A 6 -7.192 -2.833 -1.547 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.560 -2.168 -1.702 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.082 -1.799 -1.584 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.675 -2.916 -1.005 1.00 0.00 C ATOM 0 H ILE A 6 -7.957 -5.628 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.933 -3.364 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.169 -3.334 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.510 -1.154 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.797 -2.084 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.244 -1.063 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.122 -2.291 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.082 -1.300 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.617 -2.389 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.752 -3.922 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.461 -2.977 0.062 1.00 0.00 H new ATOM 119 N ALA A 7 -4.671 -4.338 -3.251 1.00 0.00 N ATOM 120 CA ALA A 7 -3.356 -4.944 -3.104 1.00 0.00 C ATOM 121 C ALA A 7 -2.309 -3.853 -3.055 1.00 0.00 C ATOM 122 O ALA A 7 -2.257 -3.008 -3.938 1.00 0.00 O ATOM 123 CB ALA A 7 -3.072 -5.910 -4.244 1.00 0.00 C ATOM 0 H ALA A 7 -4.760 -3.713 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.328 -5.514 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.083 -6.349 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.823 -6.700 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.106 -5.374 -5.192 1.00 0.00 H new ATOM 129 N VAL A 8 -1.489 -3.847 -2.021 1.00 0.00 N ATOM 130 CA VAL A 8 -0.479 -2.812 -1.897 1.00 0.00 C ATOM 131 C VAL A 8 0.882 -3.381 -1.531 1.00 0.00 C ATOM 132 O VAL A 8 0.992 -4.510 -1.062 1.00 0.00 O ATOM 133 CB VAL A 8 -0.891 -1.733 -0.865 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.363 -1.864 -0.490 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.016 -1.798 0.382 1.00 0.00 C ATOM 0 H VAL A 8 -1.500 -4.534 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.400 -2.345 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.743 -0.760 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.624 -1.094 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.978 -1.745 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.542 -2.847 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.330 -1.028 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.117 -2.779 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.025 -1.633 0.105 1.00 0.00 H new ATOM 145 N GLY A 9 1.911 -2.575 -1.749 1.00 0.00 N ATOM 146 CA GLY A 9 3.261 -2.985 -1.436 1.00 0.00 C ATOM 147 C GLY A 9 4.086 -1.837 -0.890 1.00 0.00 C ATOM 148 O GLY A 9 4.335 -0.857 -1.592 1.00 0.00 O ATOM 0 H GLY A 9 1.831 -1.637 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.235 -3.794 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.738 -3.381 -2.333 1.00 0.00 H new ATOM 152 N ILE A 10 4.515 -1.955 0.362 1.00 0.00 N ATOM 153 CA ILE A 10 5.325 -0.906 0.983 1.00 0.00 C ATOM 154 C ILE A 10 6.715 -0.898 0.359 1.00 0.00 C ATOM 155 O ILE A 10 7.501 -1.819 0.574 1.00 0.00 O ATOM 156 CB ILE A 10 5.455 -1.062 2.527 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.687 -2.284 3.050 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.971 0.199 3.230 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.184 -2.165 2.908 1.00 0.00 C ATOM 0 H ILE A 10 4.320 -2.756 0.963 1.00 0.00 H new ATOM 0 HA ILE A 10 4.811 0.037 0.800 1.00 0.00 H new ATOM 0 HB ILE A 10 6.511 -1.217 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.025 -3.171 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.933 -2.434 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.068 0.074 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.572 1.049 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.926 0.378 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.709 -3.065 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.833 -1.298 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.926 -2.046 1.856 1.00 0.00 H new ATOM 171 N ILE A 11 7.006 0.134 -0.431 1.00 0.00 N ATOM 172 CA ILE A 11 8.299 0.232 -1.107 1.00 0.00 C ATOM 173 C ILE A 11 9.422 0.537 -0.127 1.00 0.00 C ATOM 174 O ILE A 11 9.352 1.496 0.633 1.00 0.00 O ATOM 175 CB ILE A 11 8.316 1.310 -2.213 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.921 1.527 -2.809 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.300 0.910 -3.303 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.925 2.427 -4.026 1.00 0.00 C ATOM 0 H ILE A 11 6.370 0.909 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 11 8.458 -0.744 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 11 8.632 2.252 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.495 0.561 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.271 1.959 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.310 1.672 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.298 0.815 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.998 -0.045 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.907 2.539 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.322 3.405 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.549 1.986 -4.803 1.00 0.00 H new ATOM 190 N ARG A 12 10.458 -0.292 -0.161 1.00 0.00 N ATOM 191 CA ARG A 12 11.608 -0.126 0.720 1.00 0.00 C ATOM 192 C ARG A 12 12.684 0.734 0.075 1.00 0.00 C ATOM 193 O ARG A 12 13.183 0.415 -1.009 1.00 0.00 O ATOM 194 CB ARG A 12 12.198 -1.484 1.090 1.00 0.00 C ATOM 195 CG ARG A 12 11.863 -1.922 2.503 1.00 0.00 C ATOM 196 CD ARG A 12 13.110 -2.040 3.365 1.00 0.00 C ATOM 197 NE ARG A 12 13.768 -3.334 3.203 1.00 0.00 N ATOM 198 CZ ARG A 12 13.294 -4.474 3.702 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.161 -4.484 4.394 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.955 -5.607 3.508 1.00 0.00 N ATOM 0 H ARG A 12 10.525 -1.090 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 12 11.258 0.377 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.832 -2.234 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.281 -1.444 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.176 -1.205 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.348 -2.882 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.807 -1.244 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.842 -1.899 4.412 1.00 0.00 H new ATOM 0 HE ARG A 12 14.641 -3.366 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.649 -3.615 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.803 -5.360 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.826 -5.605 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.593 -6.481 3.890 1.00 0.00 H new ATOM 214 N ASN A 13 13.037 1.816 0.764 1.00 0.00 N ATOM 215 CA ASN A 13 14.062 2.744 0.292 1.00 0.00 C ATOM 216 C ASN A 13 15.463 2.221 0.571 1.00 0.00 C ATOM 217 O ASN A 13 15.655 1.079 0.989 1.00 0.00 O ATOM 218 CB ASN A 13 13.903 4.117 0.932 1.00 0.00 C ATOM 219 CG ASN A 13 14.497 5.248 0.107 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.381 5.158 -1.213 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.057 6.197 0.656 1.00 0.00 N flip ATOM 0 H ASN A 13 12.624 2.074 1.660 1.00 0.00 H new ATOM 0 HA ASN A 13 13.928 2.834 -0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.843 4.313 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.377 4.108 1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.126 6.230 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.452 6.951 0.094 1.00 0.00 H new ATOM 228 N GLU A 14 16.430 3.082 0.311 1.00 0.00 N ATOM 229 CA GLU A 14 17.843 2.765 0.495 1.00 0.00 C ATOM 230 C GLU A 14 18.293 2.925 1.951 1.00 0.00 C ATOM 231 O GLU A 14 19.477 2.777 2.254 1.00 0.00 O ATOM 232 CB GLU A 14 18.679 3.675 -0.406 1.00 0.00 C ATOM 233 CG GLU A 14 20.180 3.479 -0.260 1.00 0.00 C ATOM 234 CD GLU A 14 20.824 4.535 0.616 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.650 5.737 0.322 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.502 4.161 1.596 1.00 0.00 O ATOM 0 H GLU A 14 16.261 4.026 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 14 17.989 1.719 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.399 3.498 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.435 4.714 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.374 2.493 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.643 3.499 -1.247 1.00 0.00 H new ATOM 243 N ASN A 15 17.362 3.232 2.850 1.00 0.00 N ATOM 244 CA ASN A 15 17.707 3.411 4.258 1.00 0.00 C ATOM 245 C ASN A 15 16.652 2.792 5.171 1.00 0.00 C ATOM 246 O ASN A 15 16.140 3.448 6.078 1.00 0.00 O ATOM 247 CB ASN A 15 17.865 4.899 4.576 1.00 0.00 C ATOM 248 CG ASN A 15 18.300 5.143 6.008 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.671 5.909 6.738 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.383 4.491 6.416 1.00 0.00 N ATOM 0 H ASN A 15 16.374 3.361 2.633 1.00 0.00 H new ATOM 0 HA ASN A 15 18.653 2.901 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.597 5.337 3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.919 5.409 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.724 4.616 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.873 3.866 5.776 1.00 0.00 H new ATOM 257 N ASN A 16 16.328 1.525 4.919 1.00 0.00 N ATOM 258 CA ASN A 16 15.329 0.805 5.712 1.00 0.00 C ATOM 259 C ASN A 16 14.076 1.653 5.936 1.00 0.00 C ATOM 260 O ASN A 16 13.326 1.432 6.886 1.00 0.00 O ATOM 261 CB ASN A 16 15.921 0.370 7.056 1.00 0.00 C ATOM 262 CG ASN A 16 16.236 1.541 7.967 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.335 2.231 8.445 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.520 1.772 8.211 1.00 0.00 N ATOM 0 H ASN A 16 16.744 0.973 4.169 1.00 0.00 H new ATOM 0 HA ASN A 16 15.039 -0.083 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.220 -0.296 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.832 -0.201 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.793 2.547 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.234 1.175 7.794 1.00 0.00 H new ATOM 271 N GLU A 17 13.849 2.606 5.039 1.00 0.00 N ATOM 272 CA GLU A 17 12.683 3.473 5.113 1.00 0.00 C ATOM 273 C GLU A 17 11.810 3.222 3.897 1.00 0.00 C ATOM 274 O GLU A 17 12.318 3.065 2.794 1.00 0.00 O ATOM 275 CB GLU A 17 13.105 4.943 5.170 1.00 0.00 C ATOM 276 CG GLU A 17 14.007 5.362 4.022 1.00 0.00 C ATOM 277 CD GLU A 17 14.596 6.746 4.218 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.627 7.219 5.373 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.026 7.356 3.216 1.00 0.00 O ATOM 0 H GLU A 17 14.463 2.797 4.247 1.00 0.00 H new ATOM 0 HA GLU A 17 12.123 3.251 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.213 5.569 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.621 5.128 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.816 4.639 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.439 5.341 3.092 1.00 0.00 H new ATOM 286 N ILE A 18 10.505 3.152 4.093 1.00 0.00 N ATOM 287 CA ILE A 18 9.603 2.880 2.985 1.00 0.00 C ATOM 288 C ILE A 18 8.837 4.125 2.548 1.00 0.00 C ATOM 289 O ILE A 18 8.384 4.920 3.372 1.00 0.00 O ATOM 290 CB ILE A 18 8.621 1.745 3.352 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.328 0.393 3.262 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.380 1.756 2.463 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.849 -0.609 4.290 1.00 0.00 C ATOM 0 H ILE A 18 10.049 3.278 4.997 1.00 0.00 H new ATOM 0 HA ILE A 18 10.215 2.562 2.141 1.00 0.00 H new ATOM 0 HB ILE A 18 8.288 1.912 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.177 -0.021 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.400 0.544 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.716 0.942 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.860 2.707 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.677 1.627 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.394 -1.545 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.025 -0.215 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.783 -0.789 4.153 1.00 0.00 H new ATOM 305 N PHE A 19 8.696 4.269 1.234 1.00 0.00 N ATOM 306 CA PHE A 19 7.984 5.394 0.647 1.00 0.00 C ATOM 307 C PHE A 19 6.486 5.102 0.589 1.00 0.00 C ATOM 308 O PHE A 19 6.041 4.224 -0.149 1.00 0.00 O ATOM 309 CB PHE A 19 8.537 5.680 -0.759 1.00 0.00 C ATOM 310 CG PHE A 19 7.580 6.390 -1.681 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.589 5.687 -2.350 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.677 7.757 -1.884 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.714 6.334 -3.201 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.804 8.409 -2.734 1.00 0.00 C ATOM 315 CZ PHE A 19 5.822 7.697 -3.394 1.00 0.00 C ATOM 0 H PHE A 19 9.071 3.611 0.551 1.00 0.00 H new ATOM 0 HA PHE A 19 8.133 6.276 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.441 6.281 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.829 4.736 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.500 4.621 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.444 8.320 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.946 5.774 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.890 9.475 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.140 8.205 -4.060 1.00 0.00 H new ATOM 325 N ILE A 20 5.716 5.839 1.377 1.00 0.00 N ATOM 326 CA ILE A 20 4.275 5.665 1.417 1.00 0.00 C ATOM 327 C ILE A 20 3.584 7.010 1.226 1.00 0.00 C ATOM 328 O ILE A 20 4.123 8.049 1.610 1.00 0.00 O ATOM 329 CB ILE A 20 3.810 5.045 2.754 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.984 4.895 3.727 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.145 3.697 2.515 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.567 4.455 5.113 1.00 0.00 C ATOM 0 H ILE A 20 6.069 6.566 1.999 1.00 0.00 H new ATOM 0 HA ILE A 20 4.005 4.984 0.610 1.00 0.00 H new ATOM 0 HB ILE A 20 3.080 5.719 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.691 4.171 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.509 5.847 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.824 3.276 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.279 3.828 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.855 3.020 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.449 4.370 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.884 5.190 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.068 3.488 5.053 1.00 0.00 H new ATOM 344 N THR A 21 2.394 6.995 0.641 1.00 0.00 N ATOM 345 CA THR A 21 1.655 8.231 0.421 1.00 0.00 C ATOM 346 C THR A 21 1.152 8.781 1.748 1.00 0.00 C ATOM 347 O THR A 21 0.282 8.188 2.381 1.00 0.00 O ATOM 348 CB THR A 21 0.478 7.989 -0.523 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.516 7.201 0.106 1.00 0.00 O ATOM 350 CG2 THR A 21 0.873 7.292 -1.806 1.00 0.00 C ATOM 0 H THR A 21 1.924 6.151 0.313 1.00 0.00 H new ATOM 0 HA THR A 21 2.325 8.959 -0.036 1.00 0.00 H new ATOM 0 HB THR A 21 0.098 8.980 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.263 7.038 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.009 7.151 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.602 7.900 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.311 6.322 -1.573 1.00 0.00 H new ATOM 358 N ARG A 22 1.712 9.912 2.167 1.00 0.00 N ATOM 359 CA ARG A 22 1.324 10.535 3.428 1.00 0.00 C ATOM 360 C ARG A 22 1.107 12.034 3.259 1.00 0.00 C ATOM 361 O ARG A 22 2.021 12.766 2.881 1.00 0.00 O ATOM 362 CB ARG A 22 2.394 10.282 4.493 1.00 0.00 C ATOM 363 CG ARG A 22 2.058 10.883 5.849 1.00 0.00 C ATOM 364 CD ARG A 22 3.096 10.510 6.895 1.00 0.00 C ATOM 365 NE ARG A 22 4.302 11.328 6.786 1.00 0.00 N ATOM 366 CZ ARG A 22 5.220 11.425 7.745 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.074 10.760 8.884 1.00 0.00 N ATOM 368 NH2 ARG A 22 6.288 12.191 7.564 1.00 0.00 N ATOM 0 H ARG A 22 2.435 10.415 1.652 1.00 0.00 H new ATOM 0 HA ARG A 22 0.383 10.087 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.535 9.207 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.343 10.693 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.000 11.968 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.076 10.535 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.667 10.628 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.360 9.458 6.785 1.00 0.00 H new ATOM 0 HE ARG A 22 4.449 11.855 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.255 10.170 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.781 10.839 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.405 12.705 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.992 12.266 8.298 1.00 0.00 H new ATOM 493 N ASN A 31 -4.767 12.776 6.288 1.00 0.00 N ATOM 494 CA ASN A 31 -5.064 11.450 6.819 1.00 0.00 C ATOM 495 C ASN A 31 -5.098 10.408 5.702 1.00 0.00 C ATOM 496 O ASN A 31 -5.837 9.427 5.777 1.00 0.00 O ATOM 497 CB ASN A 31 -6.403 11.466 7.563 1.00 0.00 C ATOM 498 CG ASN A 31 -6.236 11.261 9.056 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.292 11.767 9.662 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.157 10.517 9.657 1.00 0.00 N ATOM 0 HA ASN A 31 -4.271 11.178 7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.904 12.417 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.048 10.685 7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.099 10.345 10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.923 10.117 9.115 1.00 0.00 H new ATOM 507 N LYS A 32 -4.294 10.630 4.667 1.00 0.00 N ATOM 508 CA LYS A 32 -4.235 9.712 3.534 1.00 0.00 C ATOM 509 C LYS A 32 -2.951 8.896 3.549 1.00 0.00 C ATOM 510 O LYS A 32 -2.475 8.446 2.508 1.00 0.00 O ATOM 511 CB LYS A 32 -4.362 10.474 2.215 1.00 0.00 C ATOM 512 CG LYS A 32 -5.341 9.843 1.239 1.00 0.00 C ATOM 513 CD LYS A 32 -4.626 8.990 0.205 1.00 0.00 C ATOM 514 CE LYS A 32 -5.604 8.376 -0.784 1.00 0.00 C ATOM 515 NZ LYS A 32 -6.158 7.085 -0.290 1.00 0.00 N ATOM 0 H LYS A 32 -3.675 11.437 4.589 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.075 9.023 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.679 11.496 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.381 10.535 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.057 9.229 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.910 10.625 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.899 9.600 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.069 8.199 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.420 9.074 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.102 8.214 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.820 6.700 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.382 6.410 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.659 7.243 0.607 1.00 0.00 H new ATOM 529 N LEU A 33 -2.400 8.714 4.738 1.00 0.00 N ATOM 530 CA LEU A 33 -1.167 7.952 4.910 1.00 0.00 C ATOM 531 C LEU A 33 -1.366 6.497 4.489 1.00 0.00 C ATOM 532 O LEU A 33 -1.468 5.608 5.333 1.00 0.00 O ATOM 533 CB LEU A 33 -0.705 8.016 6.367 1.00 0.00 C ATOM 534 CG LEU A 33 0.787 7.762 6.588 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.135 7.876 8.063 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.180 6.394 6.050 1.00 0.00 C ATOM 0 H LEU A 33 -2.788 9.085 5.605 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.401 8.394 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.953 8.999 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.271 7.285 6.944 1.00 0.00 H new ATOM 0 HG LEU A 33 1.350 8.520 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.201 7.692 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.891 8.877 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.564 7.141 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.245 6.230 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.609 5.622 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.968 6.348 4.982 1.00 0.00 H new ATOM 548 N GLU A 34 -1.429 6.259 3.180 1.00 0.00 N ATOM 549 CA GLU A 34 -1.629 4.909 2.661 1.00 0.00 C ATOM 550 C GLU A 34 -0.442 4.441 1.823 1.00 0.00 C ATOM 551 O GLU A 34 0.591 5.108 1.758 1.00 0.00 O ATOM 552 CB GLU A 34 -2.911 4.847 1.828 1.00 0.00 C ATOM 553 CG GLU A 34 -3.706 3.567 2.030 1.00 0.00 C ATOM 554 CD GLU A 34 -4.256 3.011 0.731 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.484 2.373 -0.015 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.458 3.214 0.460 1.00 0.00 O ATOM 0 H GLU A 34 -1.345 6.980 2.463 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.718 4.239 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.541 5.700 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.654 4.943 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.069 2.818 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.531 3.760 2.716 1.00 0.00 H new ATOM 563 N PHE A 35 -0.599 3.277 1.196 1.00 0.00 N ATOM 564 CA PHE A 35 0.456 2.695 0.370 1.00 0.00 C ATOM 565 C PHE A 35 0.004 2.520 -1.082 1.00 0.00 C ATOM 566 O PHE A 35 -1.178 2.656 -1.398 1.00 0.00 O ATOM 567 CB PHE A 35 0.897 1.341 0.938 1.00 0.00 C ATOM 568 CG PHE A 35 0.663 1.187 2.416 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.622 1.055 2.919 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.729 1.175 3.300 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.838 0.914 4.277 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.519 1.035 4.659 1.00 0.00 C ATOM 573 CZ PHE A 35 0.234 0.905 5.147 1.00 0.00 C ATOM 0 H PHE A 35 -1.450 2.717 1.245 1.00 0.00 H new ATOM 0 HA PHE A 35 1.298 3.387 0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.364 0.548 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.958 1.202 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.464 1.062 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.736 1.276 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.844 0.811 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.359 1.027 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.068 0.796 6.209 1.00 0.00 H new ATOM 583 N PRO A 36 0.957 2.219 -1.985 1.00 0.00 N ATOM 584 CA PRO A 36 0.685 2.026 -3.413 1.00 0.00 C ATOM 585 C PRO A 36 0.166 0.628 -3.746 1.00 0.00 C ATOM 586 O PRO A 36 0.252 -0.289 -2.936 1.00 0.00 O ATOM 587 CB PRO A 36 2.052 2.243 -4.053 1.00 0.00 C ATOM 588 CG PRO A 36 3.027 1.786 -3.024 1.00 0.00 C ATOM 589 CD PRO A 36 2.393 2.048 -1.680 1.00 0.00 C ATOM 0 HA PRO A 36 -0.095 2.700 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.153 1.671 -4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.208 3.291 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.251 0.726 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.970 2.324 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.558 1.218 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.809 2.939 -1.210 1.00 0.00 H new ATOM 597 N GLY A 37 -0.352 0.482 -4.961 1.00 0.00 N ATOM 598 CA GLY A 37 -0.872 -0.795 -5.425 1.00 0.00 C ATOM 599 C GLY A 37 -2.390 -0.906 -5.389 1.00 0.00 C ATOM 600 O GLY A 37 -2.949 -1.883 -5.870 1.00 0.00 O ATOM 0 H GLY A 37 -0.422 1.237 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.532 -0.962 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.447 -1.591 -4.813 1.00 0.00 H new ATOM 604 N GLY A 38 -3.055 0.093 -4.844 1.00 0.00 N ATOM 605 CA GLY A 38 -4.506 0.083 -4.775 1.00 0.00 C ATOM 606 C GLY A 38 -5.174 -0.011 -6.140 1.00 0.00 C ATOM 607 O GLY A 38 -4.561 0.313 -7.158 1.00 0.00 O ATOM 0 H GLY A 38 -2.616 0.922 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.828 -0.759 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.845 0.990 -4.274 1.00 0.00 H new ATOM 611 N LYS A 39 -6.444 -0.440 -6.153 1.00 0.00 N ATOM 612 CA LYS A 39 -7.228 -0.561 -7.385 1.00 0.00 C ATOM 613 C LYS A 39 -7.023 -1.900 -8.090 1.00 0.00 C ATOM 614 O LYS A 39 -7.654 -2.164 -9.114 1.00 0.00 O ATOM 615 CB LYS A 39 -6.914 0.578 -8.352 1.00 0.00 C ATOM 616 CG LYS A 39 -7.908 0.676 -9.491 1.00 0.00 C ATOM 617 CD LYS A 39 -8.591 2.035 -9.521 1.00 0.00 C ATOM 618 CE LYS A 39 -9.619 2.168 -8.406 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.979 2.344 -7.071 1.00 0.00 N ATOM 0 H LYS A 39 -6.953 -0.711 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.273 -0.503 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.903 1.520 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.914 0.435 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.396 0.504 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.659 -0.107 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.843 2.822 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.078 2.177 -10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.268 3.019 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.252 1.281 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.593 2.925 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.837 1.413 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.060 2.817 -7.186 1.00 0.00 H new ATOM 633 N ILE A 40 -6.156 -2.747 -7.549 1.00 0.00 N ATOM 634 CA ILE A 40 -5.904 -4.057 -8.153 1.00 0.00 C ATOM 635 C ILE A 40 -7.211 -4.783 -8.435 1.00 0.00 C ATOM 636 O ILE A 40 -7.307 -5.606 -9.345 1.00 0.00 O ATOM 637 CB ILE A 40 -5.002 -4.938 -7.265 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.798 -5.579 -6.116 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.849 -4.109 -6.728 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.467 -7.039 -5.888 1.00 0.00 C ATOM 0 H ILE A 40 -5.619 -2.557 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.382 -3.877 -9.093 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.604 -5.750 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.605 -5.024 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.863 -5.486 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.213 -4.734 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.265 -3.716 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.240 -3.281 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.066 -7.423 -5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.687 -7.607 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.409 -7.139 -5.645 1.00 0.00 H new ATOM 652 N GLU A 41 -8.210 -4.455 -7.631 1.00 0.00 N ATOM 653 CA GLU A 41 -9.537 -5.040 -7.742 1.00 0.00 C ATOM 654 C GLU A 41 -9.985 -5.121 -9.196 1.00 0.00 C ATOM 655 O GLU A 41 -10.221 -6.210 -9.715 1.00 0.00 O ATOM 656 CB GLU A 41 -10.529 -4.211 -6.928 1.00 0.00 C ATOM 657 CG GLU A 41 -10.325 -2.705 -7.058 1.00 0.00 C ATOM 658 CD GLU A 41 -11.450 -2.024 -7.814 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.183 -2.724 -8.545 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.598 -0.792 -7.675 1.00 0.00 O ATOM 0 H GLU A 41 -8.123 -3.772 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.502 -6.056 -7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.542 -4.460 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.446 -4.490 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.244 -2.266 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.381 -2.513 -7.569 1.00 0.00 H new ATOM 667 N MET A 42 -10.090 -3.953 -9.837 1.00 0.00 N ATOM 668 CA MET A 42 -10.502 -3.842 -11.245 1.00 0.00 C ATOM 669 C MET A 42 -11.017 -5.167 -11.813 1.00 0.00 C ATOM 670 O MET A 42 -12.225 -5.391 -11.887 1.00 0.00 O ATOM 671 CB MET A 42 -9.334 -3.334 -12.094 1.00 0.00 C ATOM 672 CG MET A 42 -8.940 -1.899 -11.788 1.00 0.00 C ATOM 673 SD MET A 42 -9.676 -0.717 -12.934 1.00 0.00 S ATOM 674 CE MET A 42 -10.941 0.015 -11.898 1.00 0.00 C ATOM 0 H MET A 42 -9.892 -3.055 -9.396 1.00 0.00 H new ATOM 0 HA MET A 42 -11.327 -3.131 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.471 -3.981 -11.935 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.601 -3.412 -13.148 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.245 -1.652 -10.771 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.854 -1.808 -11.826 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.402 0.852 -12.423 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.701 -0.732 -11.668 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.491 0.372 -10.971 1.00 0.00 H new ATOM 684 N GLY A 43 -10.094 -6.040 -12.212 1.00 0.00 N ATOM 685 CA GLY A 43 -10.482 -7.324 -12.766 1.00 0.00 C ATOM 686 C GLY A 43 -9.300 -8.213 -13.080 1.00 0.00 C ATOM 687 O GLY A 43 -9.335 -8.997 -14.029 1.00 0.00 O ATOM 0 H GLY A 43 -9.088 -5.880 -12.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.137 -7.835 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.059 -7.161 -13.676 1.00 0.00 H new ATOM 691 N GLU A 44 -8.255 -8.088 -12.284 1.00 0.00 N ATOM 692 CA GLU A 44 -7.046 -8.883 -12.476 1.00 0.00 C ATOM 693 C GLU A 44 -7.094 -10.164 -11.646 1.00 0.00 C ATOM 694 O GLU A 44 -8.128 -10.501 -11.069 1.00 0.00 O ATOM 695 CB GLU A 44 -5.809 -8.062 -12.108 1.00 0.00 C ATOM 696 CG GLU A 44 -5.038 -7.551 -13.313 1.00 0.00 C ATOM 697 CD GLU A 44 -5.333 -6.096 -13.620 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.485 -5.665 -13.402 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.412 -5.386 -14.077 1.00 0.00 O ATOM 0 H GLU A 44 -8.214 -7.443 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.987 -9.162 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.115 -7.213 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.146 -8.673 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.970 -7.671 -13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.286 -8.159 -14.183 1.00 0.00 H new ATOM 706 N THR A 45 -5.969 -10.875 -11.589 1.00 0.00 N ATOM 707 CA THR A 45 -5.887 -12.116 -10.829 1.00 0.00 C ATOM 708 C THR A 45 -5.192 -11.873 -9.493 1.00 0.00 C ATOM 709 O THR A 45 -4.377 -10.963 -9.370 1.00 0.00 O ATOM 710 CB THR A 45 -5.126 -13.178 -11.631 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.869 -12.727 -12.949 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.864 -14.495 -11.736 1.00 0.00 C ATOM 0 H THR A 45 -5.104 -10.611 -12.060 1.00 0.00 H new ATOM 0 HA THR A 45 -6.898 -12.475 -10.638 1.00 0.00 H new ATOM 0 HB THR A 45 -4.199 -13.341 -11.081 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.381 -13.419 -13.442 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.269 -15.200 -12.316 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.033 -14.898 -10.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.823 -14.337 -12.230 1.00 0.00 H new ATOM 720 N PRO A 46 -5.497 -12.686 -8.469 1.00 0.00 N ATOM 721 CA PRO A 46 -4.892 -12.552 -7.144 1.00 0.00 C ATOM 722 C PRO A 46 -3.383 -12.312 -7.208 1.00 0.00 C ATOM 723 O PRO A 46 -2.798 -11.750 -6.283 1.00 0.00 O ATOM 724 CB PRO A 46 -5.197 -13.900 -6.464 1.00 0.00 C ATOM 725 CG PRO A 46 -5.853 -14.749 -7.507 1.00 0.00 C ATOM 726 CD PRO A 46 -6.446 -13.800 -8.505 1.00 0.00 C ATOM 0 HA PRO A 46 -5.290 -11.692 -6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.283 -14.368 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.852 -13.764 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.129 -15.411 -7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.623 -15.382 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.516 -14.244 -9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.452 -13.488 -8.223 1.00 0.00 H new ATOM 734 N GLU A 47 -2.757 -12.748 -8.299 1.00 0.00 N ATOM 735 CA GLU A 47 -1.317 -12.583 -8.468 1.00 0.00 C ATOM 736 C GLU A 47 -0.982 -11.427 -9.413 1.00 0.00 C ATOM 737 O GLU A 47 -0.058 -10.657 -9.152 1.00 0.00 O ATOM 738 CB GLU A 47 -0.698 -13.880 -8.994 1.00 0.00 C ATOM 739 CG GLU A 47 0.061 -14.664 -7.936 1.00 0.00 C ATOM 740 CD GLU A 47 -0.852 -15.251 -6.878 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.982 -15.655 -7.226 1.00 0.00 O ATOM 742 OE2 GLU A 47 -0.437 -15.307 -5.701 1.00 0.00 O ATOM 0 H GLU A 47 -3.223 -13.216 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.897 -12.346 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.488 -14.510 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.021 -13.643 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.619 -15.468 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.791 -14.010 -7.459 1.00 0.00 H new ATOM 749 N GLN A 48 -1.722 -11.312 -10.514 1.00 0.00 N ATOM 750 CA GLN A 48 -1.475 -10.252 -11.489 1.00 0.00 C ATOM 751 C GLN A 48 -2.087 -8.926 -11.047 1.00 0.00 C ATOM 752 O GLN A 48 -1.712 -7.866 -11.546 1.00 0.00 O ATOM 753 CB GLN A 48 -2.034 -10.651 -12.856 1.00 0.00 C ATOM 754 CG GLN A 48 -1.451 -11.948 -13.396 1.00 0.00 C ATOM 755 CD GLN A 48 -1.129 -11.871 -14.875 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.863 -12.398 -15.711 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.024 -11.212 -15.206 1.00 0.00 N ATOM 0 H GLN A 48 -2.493 -11.936 -10.752 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.396 -10.117 -11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.117 -10.752 -12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.837 -9.849 -13.568 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.544 -12.193 -12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.158 -12.759 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.555 -10.790 -14.480 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.245 -11.128 -16.186 1.00 0.00 H new ATOM 766 N ALA A 49 -3.028 -8.988 -10.113 1.00 0.00 N ATOM 767 CA ALA A 49 -3.689 -7.790 -9.614 1.00 0.00 C ATOM 768 C ALA A 49 -2.678 -6.803 -9.048 1.00 0.00 C ATOM 769 O ALA A 49 -2.688 -5.622 -9.395 1.00 0.00 O ATOM 770 CB ALA A 49 -4.723 -8.162 -8.563 1.00 0.00 C ATOM 0 H ALA A 49 -3.350 -9.856 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.196 -7.305 -10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.211 -7.259 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.468 -8.824 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.232 -8.671 -7.733 1.00 0.00 H new ATOM 776 N VAL A 50 -1.801 -7.292 -8.181 1.00 0.00 N ATOM 777 CA VAL A 50 -0.781 -6.444 -7.576 1.00 0.00 C ATOM 778 C VAL A 50 0.370 -6.205 -8.550 1.00 0.00 C ATOM 779 O VAL A 50 0.813 -5.073 -8.736 1.00 0.00 O ATOM 780 CB VAL A 50 -0.230 -7.038 -6.249 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.253 -7.956 -5.594 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.086 -7.779 -6.468 1.00 0.00 C ATOM 0 H VAL A 50 -1.775 -8.267 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.262 -5.494 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.036 -6.201 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.841 -8.357 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.159 -7.392 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.492 -8.777 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.440 -8.180 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.930 -8.597 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.829 -7.090 -6.870 1.00 0.00 H new ATOM 792 N VAL A 51 0.851 -7.286 -9.159 1.00 0.00 N ATOM 793 CA VAL A 51 1.958 -7.211 -10.103 1.00 0.00 C ATOM 794 C VAL A 51 1.646 -6.253 -11.244 1.00 0.00 C ATOM 795 O VAL A 51 2.529 -5.550 -11.735 1.00 0.00 O ATOM 796 CB VAL A 51 2.298 -8.599 -10.682 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.524 -8.525 -11.581 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.513 -9.607 -9.562 1.00 0.00 C ATOM 0 H VAL A 51 0.488 -8.228 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 51 2.820 -6.838 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 51 1.454 -8.932 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.745 -9.516 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.330 -7.839 -12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.377 -8.167 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.752 -10.581 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.336 -9.277 -8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.605 -9.686 -8.964 1.00 0.00 H new ATOM 808 N ARG A 52 0.387 -6.227 -11.664 1.00 0.00 N ATOM 809 CA ARG A 52 -0.023 -5.348 -12.748 1.00 0.00 C ATOM 810 C ARG A 52 -0.168 -3.915 -12.252 1.00 0.00 C ATOM 811 O ARG A 52 0.404 -2.988 -12.825 1.00 0.00 O ATOM 812 CB ARG A 52 -1.338 -5.825 -13.367 1.00 0.00 C ATOM 813 CG ARG A 52 -1.212 -7.133 -14.134 1.00 0.00 C ATOM 814 CD ARG A 52 -1.415 -6.932 -15.629 1.00 0.00 C ATOM 815 NE ARG A 52 -0.171 -7.096 -16.378 1.00 0.00 N ATOM 816 CZ ARG A 52 0.756 -6.148 -16.494 1.00 0.00 C ATOM 817 NH1 ARG A 52 0.587 -4.968 -15.910 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.857 -6.381 -17.195 1.00 0.00 N ATOM 0 H ARG A 52 -0.361 -6.800 -11.273 1.00 0.00 H new ATOM 0 HA ARG A 52 0.751 -5.376 -13.515 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.079 -5.947 -12.577 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.714 -5.054 -14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.228 -7.566 -13.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.946 -7.846 -13.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.154 -7.645 -15.993 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.818 -5.935 -15.809 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.003 -7.990 -16.839 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.257 -4.783 -15.368 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.301 -4.246 -16.003 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.993 -7.286 -17.645 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.568 -5.655 -17.284 1.00 0.00 H new ATOM 832 N GLU A 53 -0.930 -3.741 -11.179 1.00 0.00 N ATOM 833 CA GLU A 53 -1.142 -2.420 -10.603 1.00 0.00 C ATOM 834 C GLU A 53 0.171 -1.839 -10.090 1.00 0.00 C ATOM 835 O GLU A 53 0.306 -0.624 -9.943 1.00 0.00 O ATOM 836 CB GLU A 53 -2.159 -2.491 -9.464 1.00 0.00 C ATOM 837 CG GLU A 53 -3.604 -2.409 -9.929 1.00 0.00 C ATOM 838 CD GLU A 53 -3.875 -1.195 -10.794 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.590 -1.254 -12.009 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.375 -0.185 -10.257 1.00 0.00 O ATOM 0 H GLU A 53 -1.410 -4.497 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.531 -1.768 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.015 -3.423 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.965 -1.678 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.852 -3.311 -10.489 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.260 -2.383 -9.059 1.00 0.00 H new ATOM 847 N LEU A 54 1.139 -2.712 -9.816 1.00 0.00 N ATOM 848 CA LEU A 54 2.437 -2.275 -9.319 1.00 0.00 C ATOM 849 C LEU A 54 3.093 -1.312 -10.298 1.00 0.00 C ATOM 850 O LEU A 54 3.611 -0.269 -9.904 1.00 0.00 O ATOM 851 CB LEU A 54 3.349 -3.479 -9.091 1.00 0.00 C ATOM 852 CG LEU A 54 4.032 -3.519 -7.728 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.021 -3.818 -6.631 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.149 -4.549 -7.734 1.00 0.00 C ATOM 0 H LEU A 54 1.047 -3.721 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 54 2.281 -1.759 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.762 -4.389 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.116 -3.487 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 54 4.467 -2.541 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.528 -3.842 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.256 -3.042 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.554 -4.785 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.630 -4.570 -6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.736 -5.533 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.884 -4.284 -8.494 1.00 0.00 H new ATOM 866 N GLN A 55 3.048 -1.659 -11.578 1.00 0.00 N ATOM 867 CA GLN A 55 3.624 -0.812 -12.611 1.00 0.00 C ATOM 868 C GLN A 55 2.821 0.475 -12.725 1.00 0.00 C ATOM 869 O GLN A 55 3.358 1.535 -13.046 1.00 0.00 O ATOM 870 CB GLN A 55 3.640 -1.546 -13.954 1.00 0.00 C ATOM 871 CG GLN A 55 4.204 -0.716 -15.096 1.00 0.00 C ATOM 872 CD GLN A 55 5.629 -1.096 -15.445 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.882 -1.723 -16.474 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.570 -0.717 -14.588 1.00 0.00 N ATOM 0 H GLN A 55 2.620 -2.518 -11.923 1.00 0.00 H new ATOM 0 HA GLN A 55 4.651 -0.569 -12.339 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.229 -2.457 -13.853 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.624 -1.850 -14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.573 -0.840 -15.976 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.169 0.339 -14.825 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.315 -0.199 -13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.547 -0.944 -14.771 1.00 0.00 H new ATOM 883 N GLU A 56 1.526 0.367 -12.448 1.00 0.00 N ATOM 884 CA GLU A 56 0.628 1.508 -12.505 1.00 0.00 C ATOM 885 C GLU A 56 0.785 2.393 -11.282 1.00 0.00 C ATOM 886 O GLU A 56 0.474 3.583 -11.329 1.00 0.00 O ATOM 887 CB GLU A 56 -0.821 1.035 -12.588 1.00 0.00 C ATOM 888 CG GLU A 56 -1.791 2.113 -13.044 1.00 0.00 C ATOM 889 CD GLU A 56 -2.494 2.794 -11.884 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.618 2.165 -10.810 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.921 3.956 -12.049 1.00 0.00 O ATOM 0 H GLU A 56 1.075 -0.508 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 56 0.884 2.084 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.880 0.191 -13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.131 0.670 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.251 2.860 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.535 1.670 -13.706 1.00 0.00 H new ATOM 898 N GLU A 57 1.236 1.812 -10.173 1.00 0.00 N ATOM 899 CA GLU A 57 1.384 2.582 -8.949 1.00 0.00 C ATOM 900 C GLU A 57 2.846 2.846 -8.589 1.00 0.00 C ATOM 901 O GLU A 57 3.136 3.417 -7.538 1.00 0.00 O ATOM 902 CB GLU A 57 0.657 1.897 -7.795 1.00 0.00 C ATOM 903 CG GLU A 57 -0.642 2.594 -7.425 1.00 0.00 C ATOM 904 CD GLU A 57 -1.840 1.669 -7.475 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.833 0.732 -8.300 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.786 1.884 -6.689 1.00 0.00 O ATOM 0 H GLU A 57 1.500 0.829 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 57 0.927 3.555 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.445 0.863 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.311 1.870 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.552 3.011 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.806 3.431 -8.104 1.00 0.00 H new ATOM 913 N VAL A 58 3.762 2.460 -9.472 1.00 0.00 N ATOM 914 CA VAL A 58 5.181 2.696 -9.241 1.00 0.00 C ATOM 915 C VAL A 58 5.832 3.249 -10.502 1.00 0.00 C ATOM 916 O VAL A 58 6.592 4.215 -10.451 1.00 0.00 O ATOM 917 CB VAL A 58 5.904 1.402 -8.797 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.390 1.456 -9.115 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.693 1.161 -7.312 1.00 0.00 C ATOM 0 H VAL A 58 3.548 1.985 -10.349 1.00 0.00 H new ATOM 0 HA VAL A 58 5.272 3.426 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 58 5.472 0.572 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.866 0.531 -8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.528 1.576 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.843 2.300 -8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.208 0.247 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.093 2.003 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.627 1.060 -7.108 1.00 0.00 H new ATOM 929 N GLY A 59 5.508 2.636 -11.636 1.00 0.00 N ATOM 930 CA GLY A 59 6.042 3.075 -12.912 1.00 0.00 C ATOM 931 C GLY A 59 7.555 2.973 -13.036 1.00 0.00 C ATOM 932 O GLY A 59 8.090 2.967 -14.145 1.00 0.00 O ATOM 0 H GLY A 59 4.879 1.835 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.585 2.483 -13.705 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.746 4.111 -13.077 1.00 0.00 H new ATOM 936 N ILE A 60 8.244 2.913 -11.910 1.00 0.00 N ATOM 937 CA ILE A 60 9.687 2.834 -11.888 1.00 0.00 C ATOM 938 C ILE A 60 10.171 1.391 -11.939 1.00 0.00 C ATOM 939 O ILE A 60 9.375 0.460 -12.061 1.00 0.00 O ATOM 940 CB ILE A 60 10.240 3.529 -10.623 1.00 0.00 C ATOM 941 CG1 ILE A 60 10.551 2.518 -9.504 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.267 4.589 -10.135 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.688 3.141 -8.129 1.00 0.00 C ATOM 0 H ILE A 60 7.814 2.918 -10.985 1.00 0.00 H new ATOM 0 HA ILE A 60 10.059 3.345 -12.776 1.00 0.00 H new ATOM 0 HB ILE A 60 11.179 4.011 -10.894 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.759 1.769 -9.475 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.476 1.995 -9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.670 5.070 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.121 5.336 -10.916 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.311 4.123 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.907 2.363 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.499 3.869 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.757 3.640 -7.861 1.00 0.00 H new ATOM 955 N THR A 61 11.483 1.219 -11.841 1.00 0.00 N ATOM 956 CA THR A 61 12.086 -0.090 -11.868 1.00 0.00 C ATOM 957 C THR A 61 12.757 -0.387 -10.532 1.00 0.00 C ATOM 958 O THR A 61 13.934 -0.081 -10.342 1.00 0.00 O ATOM 959 CB THR A 61 13.124 -0.110 -12.973 1.00 0.00 C ATOM 960 OG1 THR A 61 13.672 1.183 -13.163 1.00 0.00 O ATOM 961 CG2 THR A 61 12.573 -0.570 -14.303 1.00 0.00 C ATOM 0 H THR A 61 12.149 1.985 -11.741 1.00 0.00 H new ATOM 0 HA THR A 61 11.322 -0.847 -12.048 1.00 0.00 H new ATOM 0 HB THR A 61 13.883 -0.821 -12.646 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.563 1.223 -12.757 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.368 -0.561 -15.049 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.180 -1.582 -14.204 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.773 0.100 -14.617 1.00 0.00 H new ATOM 969 N PRO A 62 12.009 -0.943 -9.569 1.00 0.00 N ATOM 970 CA PRO A 62 12.500 -1.232 -8.242 1.00 0.00 C ATOM 971 C PRO A 62 12.580 -2.716 -7.928 1.00 0.00 C ATOM 972 O PRO A 62 11.702 -3.482 -8.327 1.00 0.00 O ATOM 973 CB PRO A 62 11.357 -0.629 -7.443 1.00 0.00 C ATOM 974 CG PRO A 62 10.136 -1.062 -8.200 1.00 0.00 C ATOM 975 CD PRO A 62 10.580 -1.278 -9.634 1.00 0.00 C ATOM 0 HA PRO A 62 13.510 -0.863 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.345 -0.998 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.433 0.457 -7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.722 -1.978 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.355 -0.304 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.417 -2.305 -9.961 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.042 -0.633 -10.329 1.00 0.00 H new ATOM 983 N GLN A 63 13.578 -3.119 -7.146 1.00 0.00 N ATOM 984 CA GLN A 63 13.652 -4.507 -6.736 1.00 0.00 C ATOM 985 C GLN A 63 12.581 -4.674 -5.677 1.00 0.00 C ATOM 986 O GLN A 63 12.840 -4.601 -4.476 1.00 0.00 O ATOM 987 CB GLN A 63 15.034 -4.853 -6.180 1.00 0.00 C ATOM 988 CG GLN A 63 16.174 -4.301 -7.016 1.00 0.00 C ATOM 989 CD GLN A 63 17.526 -4.483 -6.354 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.614 -4.920 -5.207 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.588 -4.146 -7.076 1.00 0.00 N ATOM 0 H GLN A 63 14.324 -2.519 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 63 13.494 -5.179 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.117 -4.465 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.131 -5.937 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.180 -4.796 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.004 -3.240 -7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.468 -3.788 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.524 -4.245 -6.683 1.00 0.00 H new ATOM 1000 N HIS A 64 11.359 -4.820 -6.161 1.00 0.00 N ATOM 1001 CA HIS A 64 10.185 -4.910 -5.311 1.00 0.00 C ATOM 1002 C HIS A 64 9.432 -6.207 -5.555 1.00 0.00 C ATOM 1003 O HIS A 64 9.094 -6.534 -6.693 1.00 0.00 O ATOM 1004 CB HIS A 64 9.305 -3.693 -5.622 1.00 0.00 C ATOM 1005 CG HIS A 64 7.856 -3.818 -5.241 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.377 -4.736 -4.329 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.774 -3.130 -5.676 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.065 -4.609 -4.227 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.675 -3.640 -5.031 1.00 0.00 N ATOM 0 H HIS A 64 11.153 -4.880 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 64 10.474 -4.912 -4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.722 -2.826 -5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.364 -3.490 -6.691 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.946 -5.408 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.775 -2.327 -6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.421 -5.200 -3.592 1.00 0.00 H new ATOM 1018 N PHE A 65 9.176 -6.950 -4.481 1.00 0.00 N ATOM 1019 CA PHE A 65 8.472 -8.214 -4.594 1.00 0.00 C ATOM 1020 C PHE A 65 8.299 -8.889 -3.236 1.00 0.00 C ATOM 1021 O PHE A 65 8.937 -8.507 -2.257 1.00 0.00 O ATOM 1022 CB PHE A 65 9.259 -9.131 -5.507 1.00 0.00 C ATOM 1023 CG PHE A 65 8.416 -10.137 -6.237 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.336 -9.726 -7.002 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.702 -11.491 -6.161 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.557 -10.645 -7.678 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.926 -12.415 -6.835 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.852 -11.991 -7.595 1.00 0.00 C ATOM 0 H PHE A 65 9.446 -6.696 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 65 7.480 -8.017 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.797 -8.526 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 65 10.008 -9.660 -4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.100 -8.674 -7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.540 -11.828 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.718 -10.311 -8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.159 -13.468 -6.768 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.245 -12.711 -8.123 1.00 0.00 H new ATOM 1038 N SER A 66 7.437 -9.909 -3.198 1.00 0.00 N ATOM 1039 CA SER A 66 7.162 -10.670 -1.977 1.00 0.00 C ATOM 1040 C SER A 66 6.052 -10.009 -1.171 1.00 0.00 C ATOM 1041 O SER A 66 5.821 -8.807 -1.291 1.00 0.00 O ATOM 1042 CB SER A 66 8.421 -10.817 -1.116 1.00 0.00 C ATOM 1043 OG SER A 66 9.566 -11.042 -1.921 1.00 0.00 O ATOM 0 H SER A 66 6.911 -10.230 -4.011 1.00 0.00 H new ATOM 0 HA SER A 66 6.836 -11.666 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.564 -9.917 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.294 -11.645 -0.419 1.00 0.00 H new ATOM 0 HG SER A 66 10.044 -10.197 -2.054 1.00 0.00 H new ATOM 1049 N LEU A 67 5.363 -10.799 -0.353 1.00 0.00 N ATOM 1050 CA LEU A 67 4.275 -10.277 0.463 1.00 0.00 C ATOM 1051 C LEU A 67 4.643 -10.277 1.943 1.00 0.00 C ATOM 1052 O LEU A 67 5.219 -11.238 2.452 1.00 0.00 O ATOM 1053 CB LEU A 67 2.990 -11.084 0.232 1.00 0.00 C ATOM 1054 CG LEU A 67 2.880 -12.396 1.013 1.00 0.00 C ATOM 1055 CD1 LEU A 67 2.371 -12.140 2.424 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.962 -13.367 0.286 1.00 0.00 C ATOM 0 H LEU A 67 5.538 -11.797 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 67 4.099 -9.245 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.137 -10.456 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.910 -11.308 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 67 3.873 -12.840 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.300 -13.085 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.061 -11.477 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.387 -11.675 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.893 -14.296 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.970 -12.926 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.365 -13.576 -0.705 1.00 0.00 H new ATOM 1068 N PHE A 68 4.297 -9.192 2.628 1.00 0.00 N ATOM 1069 CA PHE A 68 4.579 -9.062 4.052 1.00 0.00 C ATOM 1070 C PHE A 68 3.400 -9.585 4.868 1.00 0.00 C ATOM 1071 O PHE A 68 3.578 -10.209 5.914 1.00 0.00 O ATOM 1072 CB PHE A 68 4.893 -7.593 4.394 1.00 0.00 C ATOM 1073 CG PHE A 68 3.993 -6.964 5.429 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.659 -6.706 5.150 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.488 -6.619 6.676 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.838 -6.118 6.094 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.672 -6.028 7.623 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.345 -5.778 7.331 1.00 0.00 C ATOM 0 H PHE A 68 3.820 -8.389 2.218 1.00 0.00 H new ATOM 0 HA PHE A 68 5.454 -9.661 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.923 -7.532 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.834 -7.004 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.256 -6.968 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.524 -6.814 6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.801 -5.925 5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.072 -5.762 8.590 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.706 -5.317 8.070 1.00 0.00 H new ATOM 1088 N GLU A 69 2.197 -9.324 4.371 1.00 0.00 N ATOM 1089 CA GLU A 69 0.977 -9.763 5.034 1.00 0.00 C ATOM 1090 C GLU A 69 -0.235 -9.505 4.145 1.00 0.00 C ATOM 1091 O GLU A 69 -0.288 -8.508 3.429 1.00 0.00 O ATOM 1092 CB GLU A 69 0.809 -9.043 6.374 1.00 0.00 C ATOM 1093 CG GLU A 69 0.432 -9.970 7.518 1.00 0.00 C ATOM 1094 CD GLU A 69 0.780 -9.392 8.876 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.911 -8.886 9.033 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.078 -9.445 9.781 1.00 0.00 O ATOM 0 H GLU A 69 2.041 -8.807 3.506 1.00 0.00 H new ATOM 0 HA GLU A 69 1.053 -10.834 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.740 -8.533 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.042 -8.275 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.638 -10.174 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.944 -10.924 7.391 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.208 -10.402 4.198 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.419 -10.256 3.401 1.00 0.00 C ATOM 1105 C LYS A 70 -3.633 -10.745 4.186 1.00 0.00 C ATOM 1106 O LYS A 70 -3.606 -11.825 4.775 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.293 -11.031 2.086 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.088 -12.526 2.269 1.00 0.00 C ATOM 1109 CD LYS A 70 -0.627 -12.862 2.521 1.00 0.00 C ATOM 1110 CE LYS A 70 -0.478 -13.946 3.576 1.00 0.00 C ATOM 1111 NZ LYS A 70 -0.567 -15.311 2.988 1.00 0.00 N ATOM 0 H LYS A 70 -1.184 -11.237 4.783 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.553 -9.199 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.192 -10.868 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.456 -10.627 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.693 -12.877 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.436 -13.053 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.163 -13.191 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.097 -11.965 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.481 -13.831 4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.254 -13.825 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.461 -16.021 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.492 -15.431 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.189 -15.436 2.285 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.695 -9.947 4.202 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.906 -10.317 4.928 1.00 0.00 C ATOM 1127 C LEU A 71 -7.159 -9.919 4.156 1.00 0.00 C ATOM 1128 O LEU A 71 -7.153 -8.954 3.392 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.916 -9.663 6.310 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.574 -8.173 6.325 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.832 -7.337 6.141 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -4.865 -7.801 7.621 1.00 0.00 C ATOM 0 H LEU A 71 -4.743 -9.047 3.725 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.907 -11.401 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.903 -9.798 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.207 -10.189 6.949 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.899 -7.964 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.571 -6.279 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.297 -7.584 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.531 -7.548 6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.629 -6.737 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.514 -8.023 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.943 -8.376 7.710 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.233 -10.674 4.365 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.498 -10.412 3.699 1.00 0.00 C ATOM 1146 C GLU A 72 -10.639 -10.378 4.714 1.00 0.00 C ATOM 1147 O GLU A 72 -11.014 -11.407 5.276 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.758 -11.488 2.638 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.214 -11.607 2.223 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.390 -12.354 0.915 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.413 -12.437 0.143 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.507 -12.854 0.663 1.00 0.00 O ATOM 0 H GLU A 72 -8.249 -11.476 4.995 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.446 -9.439 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.156 -11.267 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.420 -12.451 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.770 -12.120 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.643 -10.610 2.128 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.187 -9.189 4.943 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.285 -9.023 5.889 1.00 0.00 C ATOM 1161 C TYR A 73 -13.447 -8.278 5.242 1.00 0.00 C ATOM 1162 O TYR A 73 -13.247 -7.448 4.356 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.807 -8.268 7.131 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.312 -6.870 6.837 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -9.981 -6.639 6.512 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.174 -5.782 6.885 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.523 -5.363 6.243 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.724 -4.503 6.617 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.399 -4.299 6.297 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.947 -3.027 6.029 1.00 0.00 O ATOM 0 H TYR A 73 -10.889 -8.327 4.487 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.630 -10.013 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.625 -8.211 7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.006 -8.836 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.293 -7.470 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.213 -5.938 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.485 -5.200 5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.407 -3.668 6.658 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.376 -2.392 6.640 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.662 -8.577 5.690 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.851 -7.929 5.148 1.00 0.00 C ATOM 1182 C GLU A 74 -16.628 -7.202 6.238 1.00 0.00 C ATOM 1183 O GLU A 74 -16.938 -7.769 7.286 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.758 -8.949 4.454 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.917 -10.250 5.222 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.364 -11.398 4.338 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.549 -11.416 3.944 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.529 -12.278 4.040 1.00 0.00 O ATOM 0 H GLU A 74 -14.849 -9.261 6.424 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.518 -7.196 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.742 -8.504 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.353 -9.168 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.969 -10.507 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.643 -10.109 6.023 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.943 -5.943 5.971 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.690 -5.114 6.900 1.00 0.00 C ATOM 1197 C PHE A 75 -19.181 -5.445 6.835 1.00 0.00 C ATOM 1198 O PHE A 75 -19.639 -6.072 5.883 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.457 -3.638 6.577 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.487 -2.963 7.505 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.150 -3.326 7.511 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.911 -1.965 8.368 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.253 -2.708 8.362 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.019 -1.344 9.222 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.689 -1.716 9.219 1.00 0.00 C ATOM 0 H PHE A 75 -16.687 -5.469 5.105 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.340 -5.316 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.088 -3.553 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.411 -3.111 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.804 -4.101 6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.950 -1.669 8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.213 -3.000 8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.362 -0.569 9.891 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.991 -1.232 9.886 1.00 0.00 H new ATOM 1215 N PRO A 76 -19.956 -5.029 7.852 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.399 -5.276 7.915 1.00 0.00 C ATOM 1217 C PRO A 76 -22.112 -4.862 6.632 1.00 0.00 C ATOM 1218 O PRO A 76 -22.649 -3.759 6.536 1.00 0.00 O ATOM 1219 CB PRO A 76 -21.874 -4.414 9.096 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.721 -3.528 9.433 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.491 -4.277 9.014 1.00 0.00 C ATOM 0 HA PRO A 76 -21.620 -6.336 8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.753 -3.829 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.154 -5.035 9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.795 -2.575 8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.698 -3.305 10.500 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.673 -3.603 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.128 -4.935 9.804 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.096 -5.766 5.656 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.725 -5.555 4.343 1.00 0.00 C ATOM 1231 C ASP A 77 -21.722 -5.013 3.327 1.00 0.00 C ATOM 1232 O ASP A 77 -22.104 -4.519 2.266 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.934 -4.615 4.435 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.881 -4.993 5.558 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.264 -6.179 5.637 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.239 -4.103 6.358 1.00 0.00 O ATOM 0 H ASP A 77 -21.644 -6.675 5.749 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.075 -6.530 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.585 -3.594 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.474 -4.630 3.488 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.437 -5.118 3.653 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.377 -4.651 2.770 1.00 0.00 C ATOM 1243 C ARG A 78 -18.233 -5.662 2.732 1.00 0.00 C ATOM 1244 O ARG A 78 -17.995 -6.375 3.706 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.862 -3.286 3.234 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.379 -2.399 2.098 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.273 -0.944 2.529 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.549 -0.792 3.790 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.967 0.341 4.180 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.019 1.422 3.411 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.334 0.395 5.345 1.00 0.00 N ATOM 0 H ARG A 78 -20.105 -5.525 4.527 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.784 -4.547 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.657 -2.771 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.045 -3.436 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.406 -2.748 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.065 -2.480 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.767 -0.372 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.273 -0.524 2.634 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.486 -1.601 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.507 1.388 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.571 2.286 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.293 -0.431 5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.888 1.263 5.644 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.530 -5.726 1.606 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.417 -6.657 1.456 1.00 0.00 C ATOM 1267 C HIS A 79 -15.154 -5.931 1.005 1.00 0.00 C ATOM 1268 O HIS A 79 -15.089 -5.411 -0.109 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.775 -7.756 0.453 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.420 -9.133 0.923 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.120 -9.579 1.031 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -17.204 -10.166 1.314 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.119 -10.826 1.467 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -16.370 -11.205 1.647 1.00 0.00 N ATOM 0 H HIS A 79 -17.710 -5.146 0.786 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.224 -7.111 2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.845 -7.715 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.262 -7.559 -0.488 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.283 -10.172 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.243 -11.432 1.646 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -16.669 -12.122 1.980 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.151 -5.898 1.878 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.892 -5.236 1.571 1.00 0.00 C ATOM 1285 C ILE A 80 -11.716 -6.196 1.733 1.00 0.00 C ATOM 1286 O ILE A 80 -11.463 -6.707 2.823 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.673 -4.000 2.475 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.205 -3.570 2.455 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.117 -4.295 3.900 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.933 -2.295 3.223 1.00 0.00 C ATOM 0 H ILE A 80 -14.188 -6.323 2.804 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.946 -4.908 0.533 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.278 -3.181 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.595 -4.372 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.890 -3.435 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.955 -3.414 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.176 -4.553 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.538 -5.129 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.872 -2.054 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.515 -1.480 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.216 -2.431 4.267 1.00 0.00 H new ATOM 1302 N THR A 81 -10.992 -6.418 0.645 1.00 0.00 N ATOM 1303 CA THR A 81 -9.830 -7.296 0.666 1.00 0.00 C ATOM 1304 C THR A 81 -8.554 -6.466 0.597 1.00 0.00 C ATOM 1305 O THR A 81 -8.335 -5.735 -0.367 1.00 0.00 O ATOM 1306 CB THR A 81 -9.886 -8.279 -0.506 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.194 -8.341 -1.048 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.480 -9.686 -0.127 1.00 0.00 C ATOM 0 H THR A 81 -11.189 -6.001 -0.265 1.00 0.00 H new ATOM 0 HA THR A 81 -9.833 -7.865 1.596 1.00 0.00 H new ATOM 0 HB THR A 81 -9.173 -7.897 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.297 -9.170 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.542 -10.331 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.457 -9.681 0.248 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.148 -10.061 0.648 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.718 -6.565 1.626 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.478 -5.798 1.660 1.00 0.00 C ATOM 1318 C LEU A 82 -5.253 -6.704 1.699 1.00 0.00 C ATOM 1319 O LEU A 82 -5.021 -7.414 2.678 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.467 -4.867 2.876 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.019 -3.462 2.628 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.076 -2.675 3.927 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.171 -2.727 1.601 1.00 0.00 C ATOM 0 H LEU A 82 -7.874 -7.162 2.439 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.433 -5.209 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.046 -5.332 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.442 -4.779 3.236 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.031 -3.557 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.471 -1.678 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.724 -3.190 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.073 -2.592 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.580 -1.730 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.147 -2.644 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.177 -3.279 0.661 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.461 -6.656 0.632 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.245 -7.452 0.545 1.00 0.00 C ATOM 1337 C TRP A 83 -2.025 -6.556 0.691 1.00 0.00 C ATOM 1338 O TRP A 83 -1.839 -5.618 -0.083 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.174 -8.192 -0.793 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.257 -9.207 -0.972 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.533 -9.127 -0.504 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.160 -10.455 -1.668 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.240 -10.245 -0.865 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.420 -11.077 -1.580 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.133 -11.106 -2.357 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.678 -12.319 -2.156 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.391 -12.339 -2.927 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.655 -12.934 -2.824 1.00 0.00 C ATOM 0 H TRP A 83 -4.642 -6.073 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.260 -8.185 1.352 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.230 -7.466 -1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.206 -8.687 -0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.931 -8.302 0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.218 -10.427 -0.638 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.156 -10.654 -2.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.652 -12.780 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.605 -12.852 -3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.825 -13.898 -3.281 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.193 -6.851 1.678 1.00 0.00 N ATOM 1360 CA PHE A 84 0.013 -6.063 1.903 1.00 0.00 C ATOM 1361 C PHE A 84 1.246 -6.822 1.419 1.00 0.00 C ATOM 1362 O PHE A 84 1.528 -7.930 1.874 1.00 0.00 O ATOM 1363 CB PHE A 84 0.152 -5.673 3.379 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.559 -4.393 3.732 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.753 -4.054 3.113 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.031 -3.526 4.679 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.407 -2.879 3.432 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.681 -2.350 4.999 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.870 -2.026 4.375 1.00 0.00 C ATOM 0 H PHE A 84 -1.327 -7.623 2.332 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.071 -5.142 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.240 -6.480 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.210 -5.570 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.177 -4.716 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.898 -3.774 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.337 -2.628 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.260 -1.684 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.379 -1.107 4.625 1.00 0.00 H new ATOM 1379 N TRP A 85 1.959 -6.224 0.469 1.00 0.00 N ATOM 1380 CA TRP A 85 3.144 -6.844 -0.112 1.00 0.00 C ATOM 1381 C TRP A 85 4.432 -6.186 0.375 1.00 0.00 C ATOM 1382 O TRP A 85 4.462 -4.994 0.679 1.00 0.00 O ATOM 1383 CB TRP A 85 3.066 -6.796 -1.638 1.00 0.00 C ATOM 1384 CG TRP A 85 1.948 -7.626 -2.189 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.628 -7.549 -1.848 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.050 -8.664 -3.170 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.097 -8.475 -2.558 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.753 -9.171 -3.377 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.111 -9.213 -3.895 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.490 -10.200 -4.278 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.849 -10.235 -4.789 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.548 -10.719 -4.974 1.00 0.00 C ATOM 0 H TRP A 85 1.735 -5.306 0.084 1.00 0.00 H new ATOM 0 HA TRP A 85 3.167 -7.883 0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.937 -5.762 -1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.011 -7.143 -2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.214 -6.861 -1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.104 -8.621 -2.487 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.118 -8.846 -3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.513 -10.575 -4.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.662 -10.667 -5.354 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.376 -11.518 -5.680 1.00 0.00 H new ATOM 1403 N LEU A 86 5.493 -6.985 0.455 1.00 0.00 N ATOM 1404 CA LEU A 86 6.791 -6.507 0.915 1.00 0.00 C ATOM 1405 C LEU A 86 7.693 -6.117 -0.256 1.00 0.00 C ATOM 1406 O LEU A 86 7.743 -6.800 -1.275 1.00 0.00 O ATOM 1407 CB LEU A 86 7.470 -7.581 1.768 1.00 0.00 C ATOM 1408 CG LEU A 86 8.770 -7.153 2.457 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.915 -7.103 1.458 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.597 -5.805 3.143 1.00 0.00 C ATOM 0 H LEU A 86 5.477 -7.974 0.205 1.00 0.00 H new ATOM 0 HA LEU A 86 6.626 -5.615 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.766 -7.912 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.682 -8.443 1.135 1.00 0.00 H new ATOM 0 HG LEU A 86 9.012 -7.894 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.829 -6.797 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.058 -8.090 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.680 -6.386 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.532 -5.520 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.327 -5.052 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.809 -5.877 3.892 1.00 0.00 H new ATOM 1422 N VAL A 87 8.398 -5.006 -0.088 1.00 0.00 N ATOM 1423 CA VAL A 87 9.315 -4.483 -1.100 1.00 0.00 C ATOM 1424 C VAL A 87 10.695 -4.331 -0.519 1.00 0.00 C ATOM 1425 O VAL A 87 10.833 -4.040 0.669 1.00 0.00 O ATOM 1426 CB VAL A 87 8.875 -3.119 -1.609 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.766 -2.650 -2.748 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.420 -3.176 -2.035 1.00 0.00 C ATOM 0 H VAL A 87 8.352 -4.437 0.757 1.00 0.00 H new ATOM 0 HA VAL A 87 9.314 -5.194 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 87 8.972 -2.393 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.430 -1.672 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.796 -2.577 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.712 -3.364 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.109 -2.197 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.302 -3.913 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.802 -3.459 -1.183 1.00 0.00 H new ATOM 1438 N GLU A 88 11.724 -4.551 -1.324 1.00 0.00 N ATOM 1439 CA GLU A 88 13.072 -4.441 -0.791 1.00 0.00 C ATOM 1440 C GLU A 88 13.864 -3.236 -1.320 1.00 0.00 C ATOM 1441 O GLU A 88 14.776 -2.762 -0.641 1.00 0.00 O ATOM 1442 CB GLU A 88 13.849 -5.734 -1.048 1.00 0.00 C ATOM 1443 CG GLU A 88 15.285 -5.693 -0.550 1.00 0.00 C ATOM 1444 CD GLU A 88 16.012 -7.007 -0.759 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.493 -8.050 -0.310 1.00 0.00 O ATOM 1446 OE2 GLU A 88 17.100 -6.992 -1.372 1.00 0.00 O ATOM 0 H GLU A 88 11.658 -4.798 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 88 12.955 -4.275 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.330 -6.562 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.851 -5.940 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.823 -4.898 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.291 -5.443 0.511 1.00 0.00 H new ATOM 1453 N ARG A 89 13.553 -2.749 -2.516 1.00 0.00 N ATOM 1454 CA ARG A 89 14.294 -1.617 -3.072 1.00 0.00 C ATOM 1455 C ARG A 89 13.528 -0.957 -4.214 1.00 0.00 C ATOM 1456 O ARG A 89 12.630 -1.561 -4.798 1.00 0.00 O ATOM 1457 CB ARG A 89 15.677 -2.099 -3.542 1.00 0.00 C ATOM 1458 CG ARG A 89 16.360 -1.202 -4.569 1.00 0.00 C ATOM 1459 CD ARG A 89 16.952 0.042 -3.923 1.00 0.00 C ATOM 1460 NE ARG A 89 18.412 0.041 -3.972 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.160 1.132 -3.815 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.589 2.311 -3.598 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.481 1.043 -3.874 1.00 0.00 N ATOM 0 H ARG A 89 12.808 -3.110 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 89 14.420 -0.863 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.328 -2.190 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.572 -3.097 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.148 -1.761 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.639 -0.908 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.573 0.929 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.624 0.103 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 89 18.886 -0.847 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.573 2.385 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.167 3.143 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.924 0.139 -4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.054 1.878 -3.754 1.00 0.00 H new ATOM 1477 N TRP A 90 13.904 0.278 -4.542 1.00 0.00 N ATOM 1478 CA TRP A 90 13.264 1.004 -5.631 1.00 0.00 C ATOM 1479 C TRP A 90 14.180 2.096 -6.183 1.00 0.00 C ATOM 1480 O TRP A 90 14.660 2.952 -5.440 1.00 0.00 O ATOM 1481 CB TRP A 90 11.913 1.574 -5.171 1.00 0.00 C ATOM 1482 CG TRP A 90 11.968 2.962 -4.605 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.219 4.118 -5.287 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.743 3.340 -3.244 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.169 5.190 -4.432 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.876 4.739 -3.172 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.442 2.631 -2.077 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.717 5.442 -1.983 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.284 3.331 -0.896 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.420 4.725 -0.857 1.00 0.00 C ATOM 0 H TRP A 90 14.647 0.793 -4.069 1.00 0.00 H new ATOM 0 HA TRP A 90 13.074 0.306 -6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.227 1.571 -6.018 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.492 0.908 -4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.427 4.180 -6.345 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.325 6.164 -4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.335 1.557 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.824 6.516 -1.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.052 2.795 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.288 5.244 0.081 1.00 0.00 H new ATOM 1501 N GLU A 91 14.427 2.052 -7.496 1.00 0.00 N ATOM 1502 CA GLU A 91 15.293 3.034 -8.142 1.00 0.00 C ATOM 1503 C GLU A 91 14.604 4.391 -8.253 1.00 0.00 C ATOM 1504 O GLU A 91 13.400 4.470 -8.496 1.00 0.00 O ATOM 1505 CB GLU A 91 15.702 2.544 -9.532 1.00 0.00 C ATOM 1506 CG GLU A 91 16.592 1.312 -9.505 1.00 0.00 C ATOM 1507 CD GLU A 91 16.784 0.701 -10.879 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.582 1.419 -11.881 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.134 -0.495 -10.954 1.00 0.00 O ATOM 0 H GLU A 91 14.040 1.350 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 91 16.183 3.153 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.804 2.321 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.223 3.347 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.564 1.580 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.156 0.568 -8.838 1.00 0.00 H new ATOM 1516 N GLY A 92 15.379 5.458 -8.074 1.00 0.00 N ATOM 1517 CA GLY A 92 14.834 6.801 -8.160 1.00 0.00 C ATOM 1518 C GLY A 92 13.631 7.003 -7.260 1.00 0.00 C ATOM 1519 O GLY A 92 13.577 6.465 -6.155 1.00 0.00 O ATOM 0 H GLY A 92 16.378 5.415 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.608 7.520 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.550 7.008 -9.192 1.00 0.00 H new ATOM 1523 N GLU A 93 12.662 7.779 -7.735 1.00 0.00 N ATOM 1524 CA GLU A 93 11.451 8.049 -6.969 1.00 0.00 C ATOM 1525 C GLU A 93 10.262 7.303 -7.572 1.00 0.00 C ATOM 1526 O GLU A 93 10.107 7.265 -8.791 1.00 0.00 O ATOM 1527 CB GLU A 93 11.165 9.551 -6.937 1.00 0.00 C ATOM 1528 CG GLU A 93 10.587 10.032 -5.617 1.00 0.00 C ATOM 1529 CD GLU A 93 11.102 11.402 -5.220 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.281 11.698 -5.505 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.326 12.178 -4.623 1.00 0.00 O ATOM 0 H GLU A 93 12.692 8.232 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 93 11.604 7.699 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.089 10.093 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.470 9.797 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.500 10.064 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.833 9.315 -4.834 1.00 0.00 H new ATOM 1538 N PRO A 94 9.398 6.704 -6.730 1.00 0.00 N ATOM 1539 CA PRO A 94 8.223 5.964 -7.193 1.00 0.00 C ATOM 1540 C PRO A 94 7.123 6.900 -7.666 1.00 0.00 C ATOM 1541 O PRO A 94 6.750 7.834 -6.956 1.00 0.00 O ATOM 1542 CB PRO A 94 7.765 5.180 -5.949 1.00 0.00 C ATOM 1543 CG PRO A 94 8.837 5.387 -4.928 1.00 0.00 C ATOM 1544 CD PRO A 94 9.476 6.699 -5.269 1.00 0.00 C ATOM 0 HA PRO A 94 8.452 5.323 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.803 5.545 -5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.639 4.121 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.420 5.405 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.566 4.577 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.941 7.540 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.505 6.756 -4.915 1.00 0.00 H new ATOM 1552 N TRP A 95 6.607 6.662 -8.868 1.00 0.00 N ATOM 1553 CA TRP A 95 5.558 7.517 -9.402 1.00 0.00 C ATOM 1554 C TRP A 95 4.288 6.745 -9.724 1.00 0.00 C ATOM 1555 O TRP A 95 3.231 7.003 -9.148 1.00 0.00 O ATOM 1556 CB TRP A 95 6.034 8.260 -10.657 1.00 0.00 C ATOM 1557 CG TRP A 95 6.701 7.396 -11.699 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.027 7.096 -11.776 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.082 6.745 -12.823 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.279 6.311 -12.879 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.102 6.086 -13.539 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.768 6.654 -13.296 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.851 5.358 -14.701 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.519 5.928 -14.446 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.557 5.293 -15.140 1.00 0.00 C ATOM 0 H TRP A 95 6.893 5.898 -9.480 1.00 0.00 H new ATOM 0 HA TRP A 95 5.326 8.239 -8.619 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.177 8.756 -11.113 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.731 9.041 -10.355 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.776 7.427 -11.071 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.193 5.956 -13.158 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.961 7.143 -12.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.649 4.863 -15.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.507 5.849 -14.815 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.331 4.741 -16.040 1.00 0.00 H new ATOM 1576 N GLY A 96 4.395 5.810 -10.658 1.00 0.00 N ATOM 1577 CA GLY A 96 3.244 5.021 -11.066 1.00 0.00 C ATOM 1578 C GLY A 96 1.969 5.840 -11.188 1.00 0.00 C ATOM 1579 O GLY A 96 1.734 6.489 -12.207 1.00 0.00 O ATOM 0 H GLY A 96 5.262 5.581 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.457 4.548 -12.025 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.086 4.220 -10.344 1.00 0.00 H new ATOM 1583 N LYS A 97 1.144 5.804 -10.141 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.118 6.542 -10.123 1.00 0.00 C ATOM 1585 C LYS A 97 -0.938 6.201 -8.876 1.00 0.00 C ATOM 1586 O LYS A 97 -2.161 6.077 -8.942 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.937 6.238 -11.383 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.405 7.483 -12.118 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.789 7.289 -12.718 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.293 8.562 -13.379 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.742 8.479 -13.711 1.00 0.00 N ATOM 0 H LYS A 97 1.329 5.270 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 97 0.119 7.606 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.336 5.631 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.806 5.641 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.421 8.328 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.696 7.728 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.759 6.484 -13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.485 6.983 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.121 9.409 -12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.722 8.749 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.047 9.366 -14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.903 7.687 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.289 8.326 -12.840 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.258 6.057 -7.741 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.925 5.738 -6.479 1.00 0.00 C ATOM 1607 C GLU A 98 -1.973 6.792 -6.139 1.00 0.00 C ATOM 1608 O GLU A 98 -3.117 6.464 -5.825 1.00 0.00 O ATOM 1609 CB GLU A 98 0.104 5.643 -5.350 1.00 0.00 C ATOM 1610 CG GLU A 98 1.003 6.865 -5.242 1.00 0.00 C ATOM 1611 CD GLU A 98 2.227 6.617 -4.383 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.671 5.453 -4.304 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.742 7.588 -3.789 1.00 0.00 O ATOM 0 H GLU A 98 0.755 6.156 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.426 4.776 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.419 5.502 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.723 4.760 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.320 7.167 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.433 7.695 -4.824 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.577 8.060 -6.208 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.502 9.137 -5.908 1.00 0.00 C ATOM 1622 C GLY A 99 -1.824 10.355 -5.308 1.00 0.00 C ATOM 1623 O GLY A 99 -1.768 11.413 -5.935 1.00 0.00 O ATOM 0 H GLY A 99 -0.636 8.359 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.018 9.430 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.261 8.773 -5.216 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.319 10.212 -4.086 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.656 11.316 -3.399 1.00 0.00 C ATOM 1629 C GLN A 100 0.806 11.003 -3.108 1.00 0.00 C ATOM 1630 O GLN A 100 1.119 10.125 -2.305 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.389 11.639 -2.095 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.686 12.404 -2.300 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.891 11.673 -1.740 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.232 11.822 -0.566 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.543 10.877 -2.579 1.00 0.00 N ATOM 0 H GLN A 100 -1.356 9.344 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.687 12.182 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.605 10.709 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.730 12.223 -1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.606 13.381 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.835 12.579 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.226 10.783 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.361 10.359 -2.259 1.00 0.00 H new ATOM 1644 N PRO A 101 1.725 11.735 -3.759 1.00 0.00 N ATOM 1645 CA PRO A 101 3.167 11.557 -3.573 1.00 0.00 C ATOM 1646 C PRO A 101 3.556 11.395 -2.105 1.00 0.00 C ATOM 1647 O PRO A 101 2.935 11.984 -1.220 1.00 0.00 O ATOM 1648 CB PRO A 101 3.725 12.861 -4.130 1.00 0.00 C ATOM 1649 CG PRO A 101 2.790 13.213 -5.228 1.00 0.00 C ATOM 1650 CD PRO A 101 1.430 12.810 -4.734 1.00 0.00 C ATOM 0 HA PRO A 101 3.543 10.656 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.756 13.639 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.743 12.734 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.828 14.279 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.047 12.687 -6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.908 13.645 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.797 12.453 -5.546 1.00 0.00 H new ATOM 1658 N GLY A 102 4.583 10.588 -1.854 1.00 0.00 N ATOM 1659 CA GLY A 102 5.034 10.358 -0.493 1.00 0.00 C ATOM 1660 C GLY A 102 6.526 10.588 -0.320 1.00 0.00 C ATOM 1661 O GLY A 102 7.233 10.883 -1.284 1.00 0.00 O ATOM 0 H GLY A 102 5.111 10.089 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.489 11.018 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.793 9.335 -0.203 1.00 0.00 H new ATOM 1665 N GLU A 103 7.005 10.449 0.913 1.00 0.00 N ATOM 1666 CA GLU A 103 8.421 10.637 1.216 1.00 0.00 C ATOM 1667 C GLU A 103 8.990 9.397 1.899 1.00 0.00 C ATOM 1668 O GLU A 103 8.247 8.614 2.491 1.00 0.00 O ATOM 1669 CB GLU A 103 8.617 11.863 2.110 1.00 0.00 C ATOM 1670 CG GLU A 103 10.071 12.276 2.267 1.00 0.00 C ATOM 1671 CD GLU A 103 10.750 12.539 0.937 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.166 13.267 0.106 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.864 12.017 0.725 1.00 0.00 O ATOM 0 H GLU A 103 6.432 10.206 1.721 1.00 0.00 H new ATOM 0 HA GLU A 103 8.954 10.796 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.054 12.699 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.199 11.655 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.125 13.174 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.612 11.493 2.798 1.00 0.00 H new ATOM 1680 N TRP A 104 10.306 9.215 1.817 1.00 0.00 N ATOM 1681 CA TRP A 104 10.943 8.056 2.437 1.00 0.00 C ATOM 1682 C TRP A 104 10.852 8.156 3.957 1.00 0.00 C ATOM 1683 O TRP A 104 11.550 8.955 4.581 1.00 0.00 O ATOM 1684 CB TRP A 104 12.416 7.941 2.006 1.00 0.00 C ATOM 1685 CG TRP A 104 12.682 8.430 0.613 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.808 8.438 -0.436 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.909 8.980 0.118 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.415 8.960 -1.552 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.705 9.300 -1.238 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.159 9.234 0.690 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.705 9.860 -2.029 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.150 9.790 -0.097 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.918 10.098 -1.443 1.00 0.00 C ATOM 0 H TRP A 104 10.945 9.846 1.334 1.00 0.00 H new ATOM 0 HA TRP A 104 10.417 7.161 2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.034 8.507 2.703 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.726 6.899 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.788 8.085 -0.394 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.977 9.076 -2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.347 9.000 1.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.529 10.098 -3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.120 9.990 0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.713 10.532 -2.031 1.00 0.00 H new ATOM 1704 N MET A 105 9.983 7.339 4.544 1.00 0.00 N ATOM 1705 CA MET A 105 9.792 7.330 5.991 1.00 0.00 C ATOM 1706 C MET A 105 10.104 5.959 6.580 1.00 0.00 C ATOM 1707 O MET A 105 10.152 4.962 5.861 1.00 0.00 O ATOM 1708 CB MET A 105 8.360 7.738 6.342 1.00 0.00 C ATOM 1709 CG MET A 105 7.309 6.746 5.868 1.00 0.00 C ATOM 1710 SD MET A 105 5.977 6.522 7.064 1.00 0.00 S ATOM 1711 CE MET A 105 5.579 8.225 7.450 1.00 0.00 C ATOM 0 H MET A 105 9.398 6.673 4.039 1.00 0.00 H new ATOM 0 HA MET A 105 10.484 8.052 6.424 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.278 7.852 7.423 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.151 8.713 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.889 7.091 4.923 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.784 5.784 5.674 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.616 8.267 7.960 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.351 8.641 8.097 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.527 8.804 6.528 1.00 0.00 H new ATOM 1721 N SER A 106 10.302 5.913 7.893 1.00 0.00 N ATOM 1722 CA SER A 106 10.593 4.659 8.575 1.00 0.00 C ATOM 1723 C SER A 106 9.301 3.908 8.884 1.00 0.00 C ATOM 1724 O SER A 106 8.472 4.376 9.664 1.00 0.00 O ATOM 1725 CB SER A 106 11.366 4.923 9.869 1.00 0.00 C ATOM 1726 OG SER A 106 11.711 3.709 10.514 1.00 0.00 O ATOM 0 H SER A 106 10.266 6.728 8.505 1.00 0.00 H new ATOM 0 HA SER A 106 11.207 4.045 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.270 5.490 9.647 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.762 5.535 10.539 1.00 0.00 H new ATOM 0 HG SER A 106 12.206 3.905 11.337 1.00 0.00 H new ATOM 1732 N LEU A 107 9.132 2.746 8.261 1.00 0.00 N ATOM 1733 CA LEU A 107 7.935 1.935 8.466 1.00 0.00 C ATOM 1734 C LEU A 107 7.787 1.517 9.927 1.00 0.00 C ATOM 1735 O LEU A 107 6.700 1.140 10.365 1.00 0.00 O ATOM 1736 CB LEU A 107 7.965 0.699 7.566 1.00 0.00 C ATOM 1737 CG LEU A 107 6.602 0.267 7.021 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.710 -0.223 8.149 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.936 1.415 6.275 1.00 0.00 C ATOM 0 H LEU A 107 9.807 2.344 7.611 1.00 0.00 H new ATOM 0 HA LEU A 107 7.073 2.547 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.631 0.895 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.396 -0.131 8.127 1.00 0.00 H new ATOM 0 HG LEU A 107 6.756 -0.554 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.745 -0.526 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.180 -1.074 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.564 0.579 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.968 1.089 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.795 2.256 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.568 1.723 5.442 1.00 0.00 H new ATOM 1751 N VAL A 108 8.882 1.588 10.681 1.00 0.00 N ATOM 1752 CA VAL A 108 8.864 1.220 12.093 1.00 0.00 C ATOM 1753 C VAL A 108 7.937 2.130 12.902 1.00 0.00 C ATOM 1754 O VAL A 108 7.668 1.868 14.074 1.00 0.00 O ATOM 1755 CB VAL A 108 10.277 1.277 12.705 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.276 0.696 14.110 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.273 0.546 11.818 1.00 0.00 C ATOM 0 H VAL A 108 9.791 1.897 10.337 1.00 0.00 H new ATOM 0 HA VAL A 108 8.490 0.197 12.141 1.00 0.00 H new ATOM 0 HB VAL A 108 10.582 2.321 12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.283 0.745 14.525 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.595 1.269 14.740 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.949 -0.343 14.074 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.265 0.597 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.973 -0.497 11.717 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.295 1.014 10.834 1.00 0.00 H new ATOM 1767 N GLY A 109 7.448 3.196 12.271 1.00 0.00 N ATOM 1768 CA GLY A 109 6.557 4.118 12.945 1.00 0.00 C ATOM 1769 C GLY A 109 5.356 4.461 12.092 1.00 0.00 C ATOM 1770 O GLY A 109 5.045 5.633 11.878 1.00 0.00 O ATOM 0 H GLY A 109 7.656 3.435 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.222 3.679 13.885 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.099 5.030 13.194 1.00 0.00 H new ATOM 1774 N LEU A 110 4.685 3.428 11.598 1.00 0.00 N ATOM 1775 CA LEU A 110 3.512 3.601 10.752 1.00 0.00 C ATOM 1776 C LEU A 110 2.399 4.318 11.513 1.00 0.00 C ATOM 1777 O LEU A 110 2.308 4.215 12.736 1.00 0.00 O ATOM 1778 CB LEU A 110 3.032 2.234 10.262 1.00 0.00 C ATOM 1779 CG LEU A 110 2.327 2.221 8.901 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.074 3.084 7.895 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.207 0.796 8.387 1.00 0.00 C ATOM 0 H LEU A 110 4.936 2.455 11.771 1.00 0.00 H new ATOM 0 HA LEU A 110 3.781 4.216 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.891 1.566 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.351 1.821 11.006 1.00 0.00 H new ATOM 0 HG LEU A 110 1.327 2.636 9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.554 3.059 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.117 4.111 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.087 2.701 7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.705 0.799 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.202 0.364 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.629 0.202 9.094 1.00 0.00 H new ATOM 1793 N ASN A 111 1.572 5.067 10.787 1.00 0.00 N ATOM 1794 CA ASN A 111 0.489 5.824 11.407 1.00 0.00 C ATOM 1795 C ASN A 111 -0.883 5.220 11.132 1.00 0.00 C ATOM 1796 O ASN A 111 -1.492 5.483 10.095 1.00 0.00 O ATOM 1797 CB ASN A 111 0.520 7.275 10.925 1.00 0.00 C ATOM 1798 CG ASN A 111 0.241 8.261 12.043 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.911 8.486 12.414 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.297 8.856 12.585 1.00 0.00 N ATOM 0 H ASN A 111 1.631 5.165 9.773 1.00 0.00 H new ATOM 0 HA ASN A 111 0.650 5.784 12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.496 7.490 10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.218 7.408 10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.171 9.530 13.340 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.234 8.639 12.246 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.379 4.435 12.086 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.697 3.827 11.962 1.00 0.00 C ATOM 1809 C ALA A 112 -3.786 4.886 12.138 1.00 0.00 C ATOM 1810 O ALA A 112 -4.919 4.712 11.688 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.873 2.708 12.979 1.00 0.00 C ATOM 0 H ALA A 112 -0.888 4.207 12.950 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.785 3.396 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.864 2.268 12.868 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.116 1.942 12.812 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.765 3.111 13.986 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.432 5.984 12.805 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.367 7.077 13.048 1.00 0.00 C ATOM 1819 C ASP A 113 -4.527 7.960 11.810 1.00 0.00 C ATOM 1820 O ASP A 113 -5.641 8.336 11.445 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.895 7.924 14.232 1.00 0.00 C ATOM 1822 CG ASP A 113 -5.048 8.421 15.082 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -6.118 8.724 14.514 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.880 8.507 16.317 1.00 0.00 O ATOM 0 H ASP A 113 -2.499 6.138 13.188 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.337 6.639 13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.219 7.334 14.851 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.326 8.777 13.862 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.405 8.297 11.177 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.421 9.148 9.989 1.00 0.00 C ATOM 1831 C ASP A 114 -4.098 8.446 8.817 1.00 0.00 C ATOM 1832 O ASP A 114 -4.892 9.048 8.095 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.999 9.553 9.606 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.774 11.049 9.712 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.413 11.685 10.576 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.958 11.583 8.932 1.00 0.00 O ATOM 0 H ASP A 114 -2.475 7.994 11.466 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.995 10.044 10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.290 9.035 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.795 9.229 8.585 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.787 7.169 8.639 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.373 6.386 7.560 1.00 0.00 C ATOM 1843 C PHE A 115 -5.793 5.963 7.950 1.00 0.00 C ATOM 1844 O PHE A 115 -6.226 6.222 9.073 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.466 5.182 7.244 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.925 3.871 7.813 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.304 3.779 9.136 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.962 2.731 7.026 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.715 2.576 9.672 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.373 1.525 7.554 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.749 1.448 8.879 1.00 0.00 C ATOM 0 H PHE A 115 -3.133 6.654 9.228 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.447 6.984 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.385 5.082 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.465 5.393 7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.279 4.660 9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.666 2.787 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.009 2.518 10.710 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.400 0.643 6.932 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.070 0.505 9.295 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.554 5.327 7.041 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.928 4.912 7.336 1.00 0.00 C ATOM 1863 C PRO A 116 -8.015 4.055 8.600 1.00 0.00 C ATOM 1864 O PRO A 116 -7.296 3.066 8.739 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.345 4.098 6.101 1.00 0.00 C ATOM 1866 CG PRO A 116 -7.085 3.844 5.341 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.162 4.981 5.668 1.00 0.00 C ATOM 0 HA PRO A 116 -8.575 5.768 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.822 3.162 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.064 4.648 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.643 2.890 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.280 3.796 4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.115 4.683 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.294 5.820 4.985 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.900 4.431 9.547 1.00 0.00 N ATOM 1876 CA PRO A 117 -9.073 3.697 10.806 1.00 0.00 C ATOM 1877 C PRO A 117 -9.709 2.327 10.600 1.00 0.00 C ATOM 1878 O PRO A 117 -9.363 1.364 11.282 1.00 0.00 O ATOM 1879 CB PRO A 117 -10.003 4.599 11.622 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.749 5.390 10.607 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.794 5.602 9.466 1.00 0.00 C ATOM 0 HA PRO A 117 -8.118 3.496 11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.680 4.012 12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.438 5.247 12.292 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.641 4.858 10.276 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.081 6.342 11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.314 5.645 8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.243 6.536 9.571 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.637 2.246 9.654 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.313 0.988 9.358 1.00 0.00 C ATOM 1891 C ALA A 118 -10.377 0.005 8.668 1.00 0.00 C ATOM 1892 O ALA A 118 -10.707 -1.168 8.493 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.550 1.238 8.510 1.00 0.00 C ATOM 0 H ALA A 118 -10.938 3.034 9.080 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.623 0.542 10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.043 0.290 8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.236 1.891 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.259 1.713 7.573 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.213 0.496 8.277 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.218 -0.317 7.602 1.00 0.00 C ATOM 1901 C ASN A 119 -7.075 -0.679 8.554 1.00 0.00 C ATOM 1902 O ASN A 119 -5.968 -0.994 8.118 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.691 0.472 6.410 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.516 0.252 5.154 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.501 -0.488 5.166 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.126 0.905 4.065 1.00 0.00 N ATOM 0 H ASN A 119 -8.933 1.466 8.418 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.669 -1.250 7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.686 1.534 6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.658 0.184 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.649 0.803 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.304 1.508 4.099 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.356 -0.615 9.858 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.363 -0.912 10.892 1.00 0.00 C ATOM 1915 C GLU A 120 -6.042 -2.406 11.020 1.00 0.00 C ATOM 1916 O GLU A 120 -4.925 -2.756 11.386 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.827 -0.365 12.244 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.879 0.664 12.838 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.609 1.819 13.494 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.800 1.655 13.830 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.989 2.889 13.672 1.00 0.00 O ATOM 0 H GLU A 120 -8.272 -0.358 10.225 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.442 -0.418 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.812 0.086 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.937 -1.193 12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.238 0.179 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.228 1.049 12.053 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.998 -3.317 10.751 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.753 -4.759 10.883 1.00 0.00 C ATOM 1930 C PRO A 121 -5.405 -5.192 10.303 1.00 0.00 C ATOM 1931 O PRO A 121 -4.766 -6.109 10.819 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.906 -5.370 10.092 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.023 -4.400 10.266 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.385 -3.035 10.328 1.00 0.00 C ATOM 0 HA PRO A 121 -6.709 -5.074 11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.646 -5.494 9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.172 -6.356 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.727 -4.464 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.583 -4.610 11.177 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.415 -2.535 9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.896 -2.386 11.039 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.969 -4.517 9.246 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.689 -4.820 8.618 1.00 0.00 C ATOM 1944 C VAL A 122 -2.543 -4.231 9.431 1.00 0.00 C ATOM 1945 O VAL A 122 -1.575 -4.919 9.758 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.616 -4.269 7.176 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.195 -4.341 6.634 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.566 -5.024 6.263 1.00 0.00 C ATOM 0 H VAL A 122 -5.484 -3.755 8.805 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.599 -5.906 8.582 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.919 -3.222 7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.173 -3.947 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.534 -3.750 7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.860 -5.378 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.498 -4.620 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.296 -6.080 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.587 -4.915 6.630 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.660 -2.945 9.740 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.639 -2.241 10.499 1.00 0.00 C ATOM 1960 C ILE A 123 -1.585 -2.718 11.943 1.00 0.00 C ATOM 1961 O ILE A 123 -0.530 -2.707 12.562 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.872 -0.720 10.476 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.038 -0.239 9.038 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.713 0.003 11.145 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.766 -0.347 8.230 1.00 0.00 C ATOM 0 H ILE A 123 -3.458 -2.368 9.474 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.686 -2.463 10.019 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.784 -0.496 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.821 -0.823 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.371 0.799 9.044 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.892 1.078 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.627 -0.327 12.180 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.212 -0.223 10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.948 0.010 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.012 0.259 8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.444 -1.388 8.196 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.719 -3.140 12.478 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.770 -3.619 13.852 1.00 0.00 C ATOM 1979 C ALA A 124 -1.754 -4.734 14.070 1.00 0.00 C ATOM 1980 O ALA A 124 -1.267 -4.937 15.182 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.172 -4.103 14.193 1.00 0.00 C ATOM 0 H ALA A 124 -3.612 -3.161 11.986 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.518 -2.791 14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.194 -4.458 15.223 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.879 -3.281 14.077 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.449 -4.917 13.523 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.440 -5.456 12.997 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.481 -6.555 13.071 1.00 0.00 C ATOM 1989 C LYS A 125 0.966 -6.055 13.037 1.00 0.00 C ATOM 1990 O LYS A 125 1.772 -6.406 13.899 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.716 -7.537 11.923 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.806 -8.557 12.208 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.294 -9.691 13.081 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.931 -11.018 12.700 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.491 -11.479 11.355 1.00 0.00 N ATOM 0 H LYS A 125 -1.834 -5.301 12.069 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.637 -7.060 14.024 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.979 -6.977 11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.215 -8.062 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.645 -8.066 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.182 -8.961 11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.211 -9.765 12.985 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.507 -9.471 14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.673 -11.771 13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.016 -10.916 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.322 -11.750 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.983 -10.710 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.860 -12.299 11.458 1.00 0.00 H new ATOM 2009 N LEU A 126 1.294 -5.251 12.028 1.00 0.00 N ATOM 2010 CA LEU A 126 2.648 -4.722 11.872 1.00 0.00 C ATOM 2011 C LEU A 126 2.912 -3.556 12.818 1.00 0.00 C ATOM 2012 O LEU A 126 4.036 -3.368 13.283 1.00 0.00 O ATOM 2013 CB LEU A 126 2.876 -4.277 10.425 1.00 0.00 C ATOM 2014 CG LEU A 126 4.304 -3.829 10.093 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.575 -2.440 10.649 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.318 -4.829 10.630 1.00 0.00 C ATOM 0 H LEU A 126 0.640 -4.951 11.305 1.00 0.00 H new ATOM 0 HA LEU A 126 3.345 -5.522 12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.608 -5.100 9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.195 -3.455 10.204 1.00 0.00 H new ATOM 0 HG LEU A 126 4.405 -3.788 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.594 -2.142 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.873 -1.730 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.453 -2.451 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.325 -4.493 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.215 -4.906 11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.141 -5.805 10.178 1.00 0.00 H new ATOM 2028 N LYS A 127 1.879 -2.772 13.094 1.00 0.00 N ATOM 2029 CA LYS A 127 2.004 -1.620 13.981 1.00 0.00 C ATOM 2030 C LYS A 127 2.609 -2.027 15.313 1.00 0.00 C ATOM 2031 O LYS A 127 3.485 -1.348 15.848 1.00 0.00 O ATOM 2032 CB LYS A 127 0.639 -0.995 14.217 1.00 0.00 C ATOM 2033 CG LYS A 127 0.644 0.127 15.242 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.695 0.846 15.288 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.810 -0.081 15.743 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.942 0.670 16.353 1.00 0.00 N ATOM 0 H LYS A 127 0.942 -2.912 12.716 1.00 0.00 H new ATOM 0 HA LYS A 127 2.662 -0.894 13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.259 -0.608 13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.053 -1.771 14.545 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.874 -0.280 16.227 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.433 0.839 14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.629 1.697 15.966 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.930 1.242 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.173 -0.657 14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.416 -0.795 16.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.682 0.002 16.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.601 1.200 17.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.335 1.333 15.655 1.00 0.00 H new ATOM 2050 N ARG A 128 2.146 -3.156 15.832 1.00 0.00 N ATOM 2051 CA ARG A 128 2.653 -3.674 17.088 1.00 0.00 C ATOM 2052 C ARG A 128 4.098 -4.130 16.914 1.00 0.00 C ATOM 2053 O ARG A 128 4.774 -4.474 17.883 1.00 0.00 O ATOM 2054 CB ARG A 128 1.784 -4.836 17.572 1.00 0.00 C ATOM 2055 CG ARG A 128 1.479 -4.789 19.061 1.00 0.00 C ATOM 2056 CD ARG A 128 -0.015 -4.873 19.329 1.00 0.00 C ATOM 2057 NE ARG A 128 -0.485 -6.255 19.388 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.350 -7.040 20.455 1.00 0.00 C ATOM 2059 NH1 ARG A 128 0.242 -6.584 21.552 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.807 -8.284 20.424 1.00 0.00 N ATOM 0 H ARG A 128 1.420 -3.728 15.400 1.00 0.00 H new ATOM 0 HA ARG A 128 2.620 -2.883 17.837 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.846 -4.833 17.017 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.287 -5.775 17.342 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.986 -5.613 19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.874 -3.866 19.485 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.243 -4.372 20.270 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.554 -4.340 18.546 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.944 -6.641 18.563 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.596 -5.628 21.581 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.343 -7.190 22.366 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.262 -8.639 19.583 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.704 -8.886 21.241 1.00 0.00 H new ATOM 2074 N LEU A 129 4.565 -4.121 15.663 1.00 0.00 N ATOM 2075 CA LEU A 129 5.931 -4.524 15.346 1.00 0.00 C ATOM 2076 C LEU A 129 6.306 -5.823 16.057 1.00 0.00 C ATOM 2077 O LEU A 129 5.493 -6.741 16.163 1.00 0.00 O ATOM 2078 CB LEU A 129 6.908 -3.414 15.733 1.00 0.00 C ATOM 2079 CG LEU A 129 6.410 -1.989 15.471 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.062 -1.294 16.779 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.452 -1.187 14.703 1.00 0.00 C ATOM 0 H LEU A 129 4.013 -3.838 14.853 1.00 0.00 H new ATOM 0 HA LEU A 129 5.990 -4.699 14.272 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.143 -3.511 16.793 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.839 -3.563 15.186 1.00 0.00 H new ATOM 0 HG LEU A 129 5.508 -2.051 14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.710 -0.283 16.572 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.279 -1.853 17.291 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.947 -1.247 17.413 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.078 -0.178 14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.373 -1.137 15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.652 -1.671 13.747 1.00 0.00 H new