USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 981 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 44 THR OG1 : rot 150:sc= -0.36 USER MOD Set 1.2: A 69 MET CE :methyl -115:sc= -10.9! (180deg=-15.1!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.519 K(o=-1.7,f=-2.3) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= 0.315 F(o=-12!,f=-1.7) USER MOD Set 2.3: A 30 THR OG1 : rot -91:sc= 0.398 USER MOD Set 2.4: A 32 GLN : amide:sc= -1.89! C(o=-1.7!,f=-2.9!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.13) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -0:sc= -2.48! USER MOD Single : A 29 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.4!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.838 F(o=-5.8!,f=-0.84) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 0.992 (180deg=0.611) USER MOD Single : A 55 MET CE :methyl -168:sc= -2.73 (180deg=-3.64!) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.11) USER MOD Single : A 60 MET CE :methyl -155:sc= -0.364 (180deg=-1.41!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.39) USER MOD Single : A 81 MET CE :methyl 176:sc= -0.974 (180deg=-0.994) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 154:sc= -0.221 (180deg=-0.928) USER MOD Single : A 91 GLN : amide:sc= -0.88 K(o=-0.88,f=-5.1!) USER MOD Single : A 93 SER OG : rot 11:sc= -0.622 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 101 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.0977 (180deg=-0.409) USER MOD Single : A 116 LYS NZ :NH3+ 149:sc= 0.677 (180deg=0.0273) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 5.655 -11.879 -1.149 1.00 0.63 N ATOM 52 CA GLU A 4 5.589 -10.513 -0.676 1.00 0.52 C ATOM 53 C GLU A 4 5.103 -9.611 -1.802 1.00 0.40 C ATOM 54 O GLU A 4 5.889 -9.069 -2.578 1.00 0.47 O ATOM 55 CB GLU A 4 6.950 -10.049 -0.140 1.00 0.62 C ATOM 56 CG GLU A 4 7.342 -10.661 1.204 1.00 1.08 C ATOM 57 CD GLU A 4 7.465 -12.176 1.177 1.00 1.31 C ATOM 58 OE1 GLU A 4 8.532 -12.686 0.762 1.00 1.51 O ATOM 59 OE2 GLU A 4 6.493 -12.861 1.557 1.00 1.90 O ATOM 0 HA GLU A 4 4.882 -10.456 0.151 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.718 -10.293 -0.874 1.00 0.62 H new ATOM 0 HB3 GLU A 4 6.937 -8.964 -0.041 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.293 -10.234 1.523 1.00 1.08 H new ATOM 0 HG3 GLU A 4 6.600 -10.380 1.951 1.00 1.08 H new ATOM 66 N LYS A 5 3.788 -9.498 -1.908 1.00 0.31 N ATOM 67 CA LYS A 5 3.158 -8.758 -2.990 1.00 0.26 C ATOM 68 C LYS A 5 2.543 -7.468 -2.468 1.00 0.21 C ATOM 69 O LYS A 5 2.318 -7.319 -1.272 1.00 0.21 O ATOM 70 CB LYS A 5 2.083 -9.614 -3.633 1.00 0.29 C ATOM 71 CG LYS A 5 1.749 -9.207 -5.054 1.00 0.34 C ATOM 72 CD LYS A 5 0.248 -9.139 -5.269 1.00 0.39 C ATOM 73 CE LYS A 5 -0.401 -10.511 -5.175 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.106 -11.367 -6.362 1.00 0.56 N ATOM 0 H LYS A 5 3.130 -9.915 -1.249 1.00 0.31 H new ATOM 0 HA LYS A 5 3.917 -8.507 -3.731 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.409 -10.654 -3.629 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.178 -9.561 -3.027 1.00 0.29 H new ATOM 0 HG2 LYS A 5 2.194 -8.236 -5.271 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.187 -9.921 -5.752 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.195 -8.476 -4.526 1.00 0.39 H new ATOM 0 HD3 LYS A 5 0.041 -8.706 -6.247 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.051 -11.013 -4.273 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.480 -10.393 -5.076 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.639 -12.257 -6.289 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.386 -10.866 -7.229 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.912 -11.575 -6.396 1.00 0.56 H new ATOM 88 N ILE A 6 2.262 -6.548 -3.373 1.00 0.21 N ATOM 89 CA ILE A 6 1.688 -5.265 -3.011 1.00 0.20 C ATOM 90 C ILE A 6 0.392 -5.012 -3.775 1.00 0.23 C ATOM 91 O ILE A 6 0.272 -5.384 -4.935 1.00 0.40 O ATOM 92 CB ILE A 6 2.701 -4.132 -3.285 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.957 -4.359 -2.439 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.089 -2.765 -3.012 1.00 0.21 C ATOM 95 CD1 ILE A 6 5.061 -3.363 -2.692 1.00 0.27 C ATOM 0 H ILE A 6 2.424 -6.668 -4.373 1.00 0.21 H new ATOM 0 HA ILE A 6 1.456 -5.283 -1.946 1.00 0.20 H new ATOM 0 HB ILE A 6 2.977 -4.151 -4.339 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.683 -4.321 -1.385 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.336 -5.362 -2.634 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.827 -1.989 -3.214 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.223 -2.619 -3.657 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.778 -2.707 -1.969 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.913 -3.595 -2.053 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.366 -3.416 -3.737 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.703 -2.358 -2.469 1.00 0.27 H new ATOM 107 N LEU A 7 -0.582 -4.420 -3.100 1.00 0.11 N ATOM 108 CA LEU A 7 -1.840 -4.025 -3.726 1.00 0.11 C ATOM 109 C LEU A 7 -1.958 -2.512 -3.727 1.00 0.14 C ATOM 110 O LEU A 7 -1.545 -1.859 -2.779 1.00 0.29 O ATOM 111 CB LEU A 7 -3.023 -4.648 -2.983 1.00 0.11 C ATOM 112 CG LEU A 7 -3.573 -5.916 -3.625 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.561 -6.590 -2.702 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.239 -5.577 -4.948 1.00 0.17 C ATOM 0 H LEU A 7 -0.525 -4.199 -2.106 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.852 -4.384 -4.755 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.716 -4.876 -1.962 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.824 -3.912 -2.918 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.747 -6.604 -3.807 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.944 -7.494 -3.176 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.065 -6.853 -1.768 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.388 -5.911 -2.495 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.630 -6.487 -5.402 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -5.057 -4.877 -4.775 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.508 -5.123 -5.617 1.00 0.17 H new ATOM 126 N ILE A 8 -2.494 -1.961 -4.799 1.00 0.08 N ATOM 127 CA ILE A 8 -2.603 -0.516 -4.938 1.00 0.08 C ATOM 128 C ILE A 8 -3.993 -0.114 -5.424 1.00 0.08 C ATOM 129 O ILE A 8 -4.366 -0.396 -6.567 1.00 0.10 O ATOM 130 CB ILE A 8 -1.532 -0.004 -5.917 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.142 -0.360 -5.388 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.665 1.500 -6.111 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.897 -0.495 -6.469 1.00 0.12 C ATOM 0 H ILE A 8 -2.862 -2.490 -5.589 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.444 -0.064 -3.959 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.674 -0.483 -6.886 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.177 0.407 -4.683 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.202 -1.297 -4.834 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.900 1.846 -6.806 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.652 1.729 -6.513 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.538 2.003 -5.152 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.858 -0.748 -6.021 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.601 -1.283 -7.162 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.986 0.448 -7.008 1.00 0.12 H new ATOM 145 N VAL A 9 -4.764 0.529 -4.554 1.00 0.09 N ATOM 146 CA VAL A 9 -6.109 0.956 -4.906 1.00 0.10 C ATOM 147 C VAL A 9 -6.110 2.326 -5.597 1.00 0.14 C ATOM 148 O VAL A 9 -5.792 3.345 -4.986 1.00 0.17 O ATOM 149 CB VAL A 9 -7.013 0.995 -3.658 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.358 1.630 -3.972 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.203 -0.413 -3.112 1.00 0.11 C ATOM 0 H VAL A 9 -4.480 0.764 -3.603 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.505 0.224 -5.610 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.525 1.609 -2.901 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.973 1.643 -3.072 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.205 2.651 -4.322 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.861 1.052 -4.747 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.843 -0.378 -2.230 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.668 -1.039 -3.873 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.234 -0.832 -2.841 1.00 0.11 H new ATOM 161 N ASP A 10 -6.455 2.312 -6.881 1.00 0.17 N ATOM 162 CA ASP A 10 -6.622 3.515 -7.683 1.00 0.21 C ATOM 163 C ASP A 10 -7.623 3.265 -8.814 1.00 0.24 C ATOM 164 O ASP A 10 -7.628 2.199 -9.426 1.00 0.38 O ATOM 165 CB ASP A 10 -5.290 3.951 -8.279 1.00 0.23 C ATOM 166 CG ASP A 10 -5.456 5.084 -9.273 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.200 6.038 -8.965 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.816 5.045 -10.343 1.00 1.27 O ATOM 0 H ASP A 10 -6.628 1.451 -7.399 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.999 4.305 -7.033 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.621 4.266 -7.479 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.818 3.101 -8.773 1.00 0.23 H new ATOM 173 N ASP A 11 -8.464 4.244 -9.097 1.00 0.29 N ATOM 174 CA ASP A 11 -9.440 4.122 -10.174 1.00 0.30 C ATOM 175 C ASP A 11 -8.977 4.916 -11.384 1.00 0.28 C ATOM 176 O ASP A 11 -9.452 4.708 -12.501 1.00 0.32 O ATOM 177 CB ASP A 11 -10.823 4.593 -9.717 1.00 0.39 C ATOM 178 CG ASP A 11 -11.881 4.506 -10.803 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.413 3.399 -11.039 1.00 0.76 O ATOM 180 OD2 ASP A 11 -12.196 5.548 -11.414 1.00 1.40 O ATOM 0 H ASP A 11 -8.494 5.133 -8.598 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.521 3.071 -10.451 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.139 3.993 -8.864 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.751 5.625 -9.372 1.00 0.39 H new ATOM 185 N GLN A 12 -8.009 5.803 -11.159 1.00 0.30 N ATOM 186 CA GLN A 12 -7.488 6.651 -12.220 1.00 0.35 C ATOM 187 C GLN A 12 -6.659 5.835 -13.202 1.00 0.31 C ATOM 188 O GLN A 12 -6.384 6.279 -14.319 1.00 0.38 O ATOM 189 CB GLN A 12 -6.638 7.778 -11.650 1.00 0.45 C ATOM 190 CG GLN A 12 -7.438 8.764 -10.823 1.00 0.59 C ATOM 191 CD GLN A 12 -6.601 9.921 -10.317 1.00 1.07 C ATOM 192 OE1 GLN A 12 -5.621 10.323 -10.948 1.00 1.90 O ATOM 193 NE2 GLN A 12 -6.985 10.475 -9.178 1.00 1.77 N ATOM 0 H GLN A 12 -7.572 5.950 -10.249 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.340 7.084 -12.745 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.847 7.352 -11.033 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.152 8.309 -12.469 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -8.260 9.152 -11.424 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -7.881 8.244 -9.974 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -7.802 10.114 -8.685 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -6.464 11.263 -8.793 1.00 1.77 H new ATOM 202 N TYR A 13 -6.234 4.658 -12.737 1.00 0.24 N ATOM 203 CA TYR A 13 -5.455 3.698 -13.520 1.00 0.23 C ATOM 204 C TYR A 13 -3.980 4.080 -13.556 1.00 0.22 C ATOM 205 O TYR A 13 -3.111 3.210 -13.556 1.00 0.29 O ATOM 206 CB TYR A 13 -6.014 3.535 -14.940 1.00 0.30 C ATOM 207 CG TYR A 13 -5.203 2.610 -15.824 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.290 1.230 -15.685 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.352 3.118 -16.795 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.548 0.386 -16.490 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.609 2.282 -17.602 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.723 0.906 -17.447 1.00 0.76 C ATOM 213 OH TYR A 13 -2.965 0.083 -18.250 1.00 0.92 O ATOM 0 H TYR A 13 -6.426 4.340 -11.787 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.541 2.733 -13.021 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.034 3.156 -14.876 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.068 4.516 -15.412 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -5.947 0.811 -14.937 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.270 4.187 -16.921 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.620 -0.684 -16.363 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -2.945 2.693 -18.348 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.440 0.627 -18.873 1.00 0.92 H new ATOM 223 N GLY A 14 -3.700 5.369 -13.557 1.00 0.22 N ATOM 224 CA GLY A 14 -2.329 5.817 -13.609 1.00 0.25 C ATOM 225 C GLY A 14 -1.646 5.769 -12.266 1.00 0.23 C ATOM 226 O GLY A 14 -0.512 5.310 -12.172 1.00 0.22 O ATOM 0 H GLY A 14 -4.396 6.113 -13.523 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.776 5.197 -14.315 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.300 6.838 -13.990 1.00 0.25 H new ATOM 230 N ILE A 15 -2.338 6.207 -11.220 1.00 0.24 N ATOM 231 CA ILE A 15 -1.757 6.238 -9.881 1.00 0.23 C ATOM 232 C ILE A 15 -1.340 4.837 -9.475 1.00 0.20 C ATOM 233 O ILE A 15 -0.249 4.617 -8.930 1.00 0.19 O ATOM 234 CB ILE A 15 -2.759 6.769 -8.833 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.503 7.995 -9.377 1.00 0.28 C ATOM 236 CG2 ILE A 15 -2.053 7.111 -7.525 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.593 9.153 -9.736 1.00 0.29 C ATOM 0 H ILE A 15 -3.299 6.545 -11.272 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.897 6.907 -9.913 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.485 5.982 -8.629 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -4.069 7.702 -10.261 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.225 8.330 -8.633 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.782 7.483 -6.805 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.572 6.218 -7.127 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.300 7.878 -7.708 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.191 9.982 -10.113 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -2.046 9.474 -8.850 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.887 8.836 -10.504 1.00 0.29 H new ATOM 249 N ARG A 16 -2.214 3.880 -9.772 1.00 0.19 N ATOM 250 CA ARG A 16 -1.927 2.495 -9.486 1.00 0.17 C ATOM 251 C ARG A 16 -0.675 2.058 -10.217 1.00 0.16 C ATOM 252 O ARG A 16 0.201 1.441 -9.627 1.00 0.16 O ATOM 253 CB ARG A 16 -3.103 1.583 -9.840 1.00 0.19 C ATOM 254 CG ARG A 16 -4.055 2.158 -10.853 1.00 0.24 C ATOM 255 CD ARG A 16 -5.332 1.349 -10.917 1.00 0.38 C ATOM 256 NE ARG A 16 -5.408 0.449 -12.064 1.00 0.76 N ATOM 257 CZ ARG A 16 -6.563 0.085 -12.632 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.710 0.587 -12.186 1.00 0.95 N ATOM 259 NH2 ARG A 16 -6.569 -0.784 -13.636 1.00 1.51 N ATOM 0 H ARG A 16 -3.121 4.046 -10.209 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.761 2.407 -8.412 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.713 0.639 -10.221 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.656 1.354 -8.929 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.287 3.191 -10.594 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.581 2.174 -11.834 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -5.425 0.764 -10.002 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -6.181 2.032 -10.947 1.00 0.38 H new ATOM 0 HE ARG A 16 -4.539 0.080 -12.451 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -7.709 1.250 -11.411 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.591 0.310 -12.619 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -5.691 -1.176 -13.976 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -7.452 -1.059 -14.067 1.00 1.51 H new ATOM 273 N ILE A 17 -0.583 2.407 -11.495 1.00 0.17 N ATOM 274 CA ILE A 17 0.589 2.076 -12.290 1.00 0.18 C ATOM 275 C ILE A 17 1.838 2.732 -11.711 1.00 0.19 C ATOM 276 O ILE A 17 2.894 2.113 -11.664 1.00 0.19 O ATOM 277 CB ILE A 17 0.413 2.494 -13.770 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.673 1.645 -14.439 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.727 2.380 -14.533 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.374 0.161 -14.441 1.00 0.23 C ATOM 0 H ILE A 17 -1.306 2.919 -12.001 1.00 0.17 H new ATOM 0 HA ILE A 17 0.706 0.993 -12.255 1.00 0.18 H new ATOM 0 HB ILE A 17 0.102 3.539 -13.792 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.620 1.815 -13.927 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.802 1.982 -15.468 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.573 2.680 -15.570 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.472 3.030 -14.074 1.00 0.28 H new ATOM 0 HG23 ILE A 17 2.077 1.348 -14.502 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.188 -0.373 -14.931 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.556 -0.022 -14.979 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.275 -0.192 -13.414 1.00 0.23 H new ATOM 292 N LEU A 18 1.706 3.970 -11.237 1.00 0.20 N ATOM 293 CA LEU A 18 2.840 4.697 -10.679 1.00 0.21 C ATOM 294 C LEU A 18 3.479 3.917 -9.542 1.00 0.18 C ATOM 295 O LEU A 18 4.701 3.772 -9.487 1.00 0.18 O ATOM 296 CB LEU A 18 2.420 6.074 -10.155 1.00 0.23 C ATOM 297 CG LEU A 18 1.645 6.944 -11.138 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.207 8.237 -10.468 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.483 7.239 -12.372 1.00 0.29 C ATOM 0 H LEU A 18 0.827 4.487 -11.229 1.00 0.20 H new ATOM 0 HA LEU A 18 3.561 4.826 -11.487 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.810 5.933 -9.263 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.315 6.614 -9.847 1.00 0.23 H new ATOM 0 HG LEU A 18 0.756 6.398 -11.454 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.655 8.848 -11.182 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.567 8.007 -9.616 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.085 8.784 -10.125 1.00 0.31 H new ATOM 0 HD21 LEU A 18 1.911 7.861 -13.060 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.392 7.764 -12.078 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.748 6.303 -12.864 1.00 0.29 H new ATOM 311 N LEU A 19 2.656 3.403 -8.640 1.00 0.16 N ATOM 312 CA LEU A 19 3.177 2.607 -7.535 1.00 0.13 C ATOM 313 C LEU A 19 3.493 1.203 -8.011 1.00 0.12 C ATOM 314 O LEU A 19 4.436 0.585 -7.544 1.00 0.11 O ATOM 315 CB LEU A 19 2.194 2.543 -6.367 1.00 0.14 C ATOM 316 CG LEU A 19 1.564 3.876 -5.951 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.747 3.704 -4.683 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.626 4.951 -5.755 1.00 0.17 C ATOM 0 H LEU A 19 1.643 3.519 -8.648 1.00 0.16 H new ATOM 0 HA LEU A 19 4.087 3.092 -7.182 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.394 1.850 -6.628 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.711 2.122 -5.504 1.00 0.14 H new ATOM 0 HG LEU A 19 0.902 4.199 -6.755 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.307 4.660 -4.401 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.046 2.976 -4.857 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.393 3.351 -3.879 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.148 5.885 -5.460 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.321 4.638 -4.976 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.169 5.100 -6.688 1.00 0.17 H new ATOM 330 N ASN A 20 2.704 0.711 -8.955 1.00 0.12 N ATOM 331 CA ASN A 20 2.909 -0.620 -9.511 1.00 0.12 C ATOM 332 C ASN A 20 4.307 -0.732 -10.107 1.00 0.13 C ATOM 333 O ASN A 20 5.081 -1.614 -9.728 1.00 0.14 O ATOM 334 CB ASN A 20 1.840 -0.929 -10.578 1.00 0.15 C ATOM 335 CG ASN A 20 0.693 -1.781 -10.053 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.688 -2.998 -10.206 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.288 -1.152 -9.427 1.00 0.19 N ATOM 0 H ASN A 20 1.912 1.216 -9.354 1.00 0.12 H new ATOM 0 HA ASN A 20 2.814 -1.352 -8.709 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.440 0.009 -10.963 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.311 -1.443 -11.416 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -1.077 -1.680 -9.056 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.255 -0.139 -9.316 1.00 0.19 H new ATOM 344 N GLU A 21 4.647 0.199 -10.990 1.00 0.15 N ATOM 345 CA GLU A 21 5.924 0.162 -11.688 1.00 0.17 C ATOM 346 C GLU A 21 7.089 0.463 -10.751 1.00 0.17 C ATOM 347 O GLU A 21 8.142 -0.151 -10.854 1.00 0.23 O ATOM 348 CB GLU A 21 5.936 1.139 -12.870 1.00 0.19 C ATOM 349 CG GLU A 21 5.756 2.592 -12.466 1.00 0.21 C ATOM 350 CD GLU A 21 5.904 3.546 -13.629 1.00 0.27 C ATOM 351 OE1 GLU A 21 4.940 3.690 -14.413 1.00 0.33 O ATOM 352 OE2 GLU A 21 6.987 4.144 -13.781 1.00 0.40 O ATOM 0 H GLU A 21 4.054 0.990 -11.239 1.00 0.15 H new ATOM 0 HA GLU A 21 6.048 -0.852 -12.069 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.879 1.035 -13.406 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.143 0.864 -13.565 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.770 2.721 -12.020 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.488 2.845 -11.699 1.00 0.21 H new ATOM 359 N VAL A 22 6.893 1.395 -9.829 1.00 0.15 N ATOM 360 CA VAL A 22 7.966 1.826 -8.940 1.00 0.17 C ATOM 361 C VAL A 22 8.177 0.859 -7.792 1.00 0.16 C ATOM 362 O VAL A 22 9.300 0.646 -7.356 1.00 0.20 O ATOM 363 CB VAL A 22 7.703 3.242 -8.405 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.602 3.555 -7.223 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.926 4.251 -9.513 1.00 0.21 C ATOM 0 H VAL A 22 6.002 1.868 -9.676 1.00 0.15 H new ATOM 0 HA VAL A 22 8.881 1.840 -9.532 1.00 0.17 H new ATOM 0 HB VAL A 22 6.669 3.298 -8.064 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.394 4.563 -6.865 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.413 2.840 -6.423 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.645 3.487 -7.531 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.739 5.256 -9.133 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.955 4.182 -9.866 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.244 4.042 -10.338 1.00 0.21 H new ATOM 375 N PHE A 23 7.126 0.256 -7.299 1.00 0.12 N ATOM 376 CA PHE A 23 7.316 -0.788 -6.325 1.00 0.10 C ATOM 377 C PHE A 23 8.049 -1.927 -6.998 1.00 0.11 C ATOM 378 O PHE A 23 9.056 -2.419 -6.497 1.00 0.15 O ATOM 379 CB PHE A 23 5.986 -1.261 -5.737 1.00 0.10 C ATOM 380 CG PHE A 23 5.375 -0.282 -4.771 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.155 0.676 -4.140 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.017 -0.318 -4.497 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.590 1.576 -3.259 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.449 0.580 -3.615 1.00 0.18 C ATOM 385 CZ PHE A 23 4.237 1.527 -2.996 1.00 0.26 C ATOM 0 H PHE A 23 6.158 0.461 -7.546 1.00 0.12 H new ATOM 0 HA PHE A 23 7.902 -0.405 -5.490 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.283 -1.444 -6.550 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.141 -2.213 -5.229 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.215 0.718 -4.340 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.395 -1.058 -4.979 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.207 2.319 -2.776 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.389 0.541 -3.410 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.795 2.230 -2.306 1.00 0.26 H new ATOM 395 N ASN A 24 7.582 -2.289 -8.182 1.00 0.12 N ATOM 396 CA ASN A 24 8.196 -3.364 -8.944 1.00 0.14 C ATOM 397 C ASN A 24 9.616 -3.007 -9.315 1.00 0.18 C ATOM 398 O ASN A 24 10.485 -3.873 -9.349 1.00 0.20 O ATOM 399 CB ASN A 24 7.370 -3.689 -10.188 1.00 0.16 C ATOM 400 CG ASN A 24 6.165 -4.555 -9.867 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.745 -4.545 -8.609 1.00 0.21 O flip ATOM 402 ND2 ASN A 24 5.639 -5.258 -10.728 1.00 0.15 N flip ATOM 0 H ASN A 24 6.779 -1.854 -8.636 1.00 0.12 H new ATOM 0 HA ASN A 24 8.223 -4.256 -8.318 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.035 -2.761 -10.652 1.00 0.16 H new ATOM 0 HB3 ASN A 24 7.999 -4.201 -10.916 1.00 0.16 H new ATOM 0 HD21 ASN A 24 5.989 -5.239 -11.686 1.00 0.15 H new ATOM 0 HD22 ASN A 24 4.852 -5.860 -10.484 1.00 0.15 H new ATOM 409 N LYS A 25 9.851 -1.713 -9.527 1.00 0.19 N ATOM 410 CA LYS A 25 11.173 -1.213 -9.909 1.00 0.25 C ATOM 411 C LYS A 25 12.146 -1.507 -8.799 1.00 0.24 C ATOM 412 O LYS A 25 13.337 -1.734 -9.015 1.00 0.30 O ATOM 413 CB LYS A 25 11.143 0.301 -10.178 1.00 0.28 C ATOM 414 CG LYS A 25 11.539 1.183 -8.988 1.00 0.25 C ATOM 415 CD LYS A 25 12.023 2.551 -9.443 1.00 0.38 C ATOM 416 CE LYS A 25 13.198 2.437 -10.400 1.00 1.18 C ATOM 417 NZ LYS A 25 13.663 3.763 -10.877 1.00 1.65 N ATOM 0 H LYS A 25 9.139 -0.987 -9.440 1.00 0.19 H new ATOM 0 HA LYS A 25 11.481 -1.712 -10.828 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.812 0.519 -11.010 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.138 0.578 -10.496 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.684 1.302 -8.322 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.324 0.691 -8.415 1.00 0.25 H new ATOM 0 HD2 LYS A 25 11.206 3.083 -9.930 1.00 0.38 H new ATOM 0 HD3 LYS A 25 12.316 3.142 -8.575 1.00 0.38 H new ATOM 0 HE2 LYS A 25 14.021 1.923 -9.903 1.00 1.18 H new ATOM 0 HE3 LYS A 25 12.910 1.826 -11.255 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 14.465 3.636 -11.527 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 12.887 4.245 -11.374 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 13.963 4.339 -10.064 1.00 1.65 H new ATOM 431 N GLU A 26 11.602 -1.507 -7.608 1.00 0.21 N ATOM 432 CA GLU A 26 12.365 -1.783 -6.420 1.00 0.26 C ATOM 433 C GLU A 26 12.512 -3.284 -6.212 1.00 0.36 C ATOM 434 O GLU A 26 13.000 -3.737 -5.178 1.00 0.78 O ATOM 435 CB GLU A 26 11.679 -1.136 -5.230 1.00 0.23 C ATOM 436 CG GLU A 26 11.626 0.366 -5.362 1.00 0.25 C ATOM 437 CD GLU A 26 13.002 0.982 -5.276 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.705 0.708 -4.283 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.378 1.736 -6.198 1.00 0.68 O ATOM 0 H GLU A 26 10.615 -1.315 -7.436 1.00 0.21 H new ATOM 0 HA GLU A 26 13.367 -1.367 -6.527 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.666 -1.529 -5.137 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.210 -1.402 -4.316 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.167 0.632 -6.314 1.00 0.25 H new ATOM 0 HG3 GLU A 26 10.993 0.778 -4.577 1.00 0.25 H new ATOM 446 N GLY A 27 12.070 -4.049 -7.199 1.00 0.19 N ATOM 447 CA GLY A 27 12.124 -5.489 -7.118 1.00 0.21 C ATOM 448 C GLY A 27 10.862 -6.068 -6.520 1.00 0.25 C ATOM 449 O GLY A 27 10.830 -7.235 -6.140 1.00 0.45 O ATOM 0 H GLY A 27 11.670 -3.689 -8.065 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.277 -5.903 -8.115 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.981 -5.787 -6.514 1.00 0.21 H new ATOM 453 N TYR A 28 9.813 -5.256 -6.425 1.00 0.15 N ATOM 454 CA TYR A 28 8.581 -5.721 -5.787 1.00 0.15 C ATOM 455 C TYR A 28 7.690 -6.403 -6.800 1.00 0.14 C ATOM 456 O TYR A 28 8.039 -6.536 -7.973 1.00 0.19 O ATOM 457 CB TYR A 28 7.753 -4.582 -5.167 1.00 0.20 C ATOM 458 CG TYR A 28 8.182 -4.099 -3.800 1.00 0.34 C ATOM 459 CD1 TYR A 28 7.956 -4.868 -2.668 1.00 0.89 C ATOM 460 CD2 TYR A 28 8.783 -2.858 -3.638 1.00 0.84 C ATOM 461 CE1 TYR A 28 8.323 -4.417 -1.420 1.00 1.04 C ATOM 462 CE2 TYR A 28 9.151 -2.401 -2.391 1.00 0.93 C ATOM 463 CZ TYR A 28 8.920 -3.188 -1.287 1.00 0.75 C ATOM 464 OH TYR A 28 9.294 -2.748 -0.052 1.00 0.98 O ATOM 0 H TYR A 28 9.787 -4.297 -6.771 1.00 0.15 H new ATOM 0 HA TYR A 28 8.901 -6.402 -4.998 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.776 -3.733 -5.851 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.716 -4.911 -5.102 1.00 0.20 H new ATOM 0 HD1 TYR A 28 7.485 -5.835 -2.767 1.00 0.89 H new ATOM 0 HD2 TYR A 28 8.965 -2.240 -4.505 1.00 0.84 H new ATOM 0 HE1 TYR A 28 8.142 -5.028 -0.548 1.00 1.04 H new ATOM 0 HE2 TYR A 28 9.617 -1.433 -2.282 1.00 0.93 H new ATOM 0 HH TYR A 28 9.060 -3.422 0.620 1.00 0.98 H new ATOM 474 N GLN A 29 6.534 -6.828 -6.331 1.00 0.14 N ATOM 475 CA GLN A 29 5.450 -7.209 -7.207 1.00 0.16 C ATOM 476 C GLN A 29 4.182 -6.533 -6.739 1.00 0.14 C ATOM 477 O GLN A 29 3.882 -6.516 -5.547 1.00 0.17 O ATOM 478 CB GLN A 29 5.280 -8.706 -7.220 1.00 0.23 C ATOM 479 CG GLN A 29 5.411 -9.304 -5.855 1.00 1.14 C ATOM 480 CD GLN A 29 5.846 -10.747 -5.899 1.00 1.32 C ATOM 481 OE1 GLN A 29 6.595 -11.157 -6.781 1.00 1.95 O ATOM 482 NE2 GLN A 29 5.352 -11.529 -4.968 1.00 0.97 N ATOM 0 H GLN A 29 6.322 -6.918 -5.337 1.00 0.14 H new ATOM 0 HA GLN A 29 5.676 -6.892 -8.225 1.00 0.16 H new ATOM 0 HB2 GLN A 29 4.302 -8.955 -7.631 1.00 0.23 H new ATOM 0 HB3 GLN A 29 6.025 -9.148 -7.881 1.00 0.23 H new ATOM 0 HG2 GLN A 29 6.133 -8.727 -5.276 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.455 -9.231 -5.336 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.733 -11.144 -4.254 1.00 0.97 H new ATOM 0 HE22 GLN A 29 5.587 -12.522 -4.958 1.00 0.97 H new ATOM 491 N THR A 30 3.451 -5.964 -7.666 1.00 0.13 N ATOM 492 CA THR A 30 2.326 -5.134 -7.317 1.00 0.12 C ATOM 493 C THR A 30 1.053 -5.638 -7.950 1.00 0.14 C ATOM 494 O THR A 30 1.060 -6.585 -8.741 1.00 0.21 O ATOM 495 CB THR A 30 2.567 -3.679 -7.744 1.00 0.11 C ATOM 496 OG1 THR A 30 3.242 -3.659 -9.006 1.00 0.13 O ATOM 497 CG2 THR A 30 3.375 -2.939 -6.697 1.00 0.10 C ATOM 0 H THR A 30 3.615 -6.061 -8.668 1.00 0.13 H new ATOM 0 HA THR A 30 2.218 -5.177 -6.233 1.00 0.12 H new ATOM 0 HB THR A 30 1.606 -3.174 -7.843 1.00 0.11 H new ATOM 0 HG1 THR A 30 4.211 -3.646 -8.859 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.534 -1.910 -7.020 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.834 -2.943 -5.751 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.339 -3.431 -6.566 1.00 0.10 H new ATOM 505 N PHE A 31 -0.031 -5.010 -7.571 1.00 0.11 N ATOM 506 CA PHE A 31 -1.319 -5.292 -8.124 1.00 0.13 C ATOM 507 C PHE A 31 -2.159 -4.039 -7.948 1.00 0.11 C ATOM 508 O PHE A 31 -1.752 -3.122 -7.230 1.00 0.10 O ATOM 509 CB PHE A 31 -1.959 -6.487 -7.412 1.00 0.15 C ATOM 510 CG PHE A 31 -2.563 -7.501 -8.340 1.00 0.19 C ATOM 511 CD1 PHE A 31 -3.833 -7.322 -8.862 1.00 0.28 C ATOM 512 CD2 PHE A 31 -1.853 -8.636 -8.692 1.00 0.30 C ATOM 513 CE1 PHE A 31 -4.385 -8.258 -9.716 1.00 0.42 C ATOM 514 CE2 PHE A 31 -2.398 -9.575 -9.546 1.00 0.43 C ATOM 515 CZ PHE A 31 -3.666 -9.386 -10.059 1.00 0.48 C ATOM 0 H PHE A 31 -0.037 -4.279 -6.859 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.242 -5.556 -9.179 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.204 -6.977 -6.797 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -2.733 -6.122 -6.736 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -4.399 -6.441 -8.599 1.00 0.28 H new ATOM 0 HD2 PHE A 31 -0.861 -8.789 -8.294 1.00 0.30 H new ATOM 0 HE1 PHE A 31 -5.377 -8.107 -10.115 1.00 0.42 H new ATOM 0 HE2 PHE A 31 -1.833 -10.456 -9.812 1.00 0.43 H new ATOM 0 HZ PHE A 31 -4.094 -10.119 -10.727 1.00 0.48 H new ATOM 525 N GLN A 32 -3.310 -3.977 -8.570 1.00 0.13 N ATOM 526 CA GLN A 32 -4.085 -2.758 -8.559 1.00 0.13 C ATOM 527 C GLN A 32 -5.566 -3.044 -8.378 1.00 0.14 C ATOM 528 O GLN A 32 -6.043 -4.143 -8.651 1.00 0.18 O ATOM 529 CB GLN A 32 -3.832 -1.994 -9.848 1.00 0.15 C ATOM 530 CG GLN A 32 -4.136 -2.806 -11.086 1.00 0.17 C ATOM 531 CD GLN A 32 -3.539 -2.199 -12.340 1.00 0.56 C ATOM 532 OE1 GLN A 32 -4.130 -2.259 -13.419 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.345 -1.633 -12.216 1.00 0.44 N ATOM 0 H GLN A 32 -3.730 -4.749 -9.087 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.772 -2.149 -7.711 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.442 -1.091 -9.854 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.790 -1.675 -9.876 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.750 -3.817 -10.957 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.216 -2.890 -11.206 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.887 -1.603 -11.305 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.885 -1.228 -13.032 1.00 0.44 H new ATOM 542 N ALA A 33 -6.267 -2.037 -7.909 1.00 0.13 N ATOM 543 CA ALA A 33 -7.690 -2.127 -7.630 1.00 0.15 C ATOM 544 C ALA A 33 -8.356 -0.814 -7.955 1.00 0.20 C ATOM 545 O ALA A 33 -7.875 0.229 -7.544 1.00 0.32 O ATOM 546 CB ALA A 33 -7.916 -2.466 -6.179 1.00 0.16 C ATOM 0 H ALA A 33 -5.865 -1.121 -7.707 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.121 -2.915 -8.248 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -8.986 -2.531 -5.983 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.447 -3.423 -5.952 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.478 -1.690 -5.552 1.00 0.16 H new ATOM 552 N ALA A 34 -9.462 -0.859 -8.675 1.00 0.29 N ATOM 553 CA ALA A 34 -10.183 0.363 -9.029 1.00 0.32 C ATOM 554 C ALA A 34 -11.044 0.820 -7.861 1.00 0.33 C ATOM 555 O ALA A 34 -11.754 1.820 -7.932 1.00 0.47 O ATOM 556 CB ALA A 34 -11.029 0.143 -10.270 1.00 0.34 C ATOM 0 H ALA A 34 -9.883 -1.719 -9.027 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.458 1.146 -9.250 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.558 1.063 -10.518 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.386 -0.141 -11.103 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.751 -0.651 -10.082 1.00 0.34 H new ATOM 562 N ASN A 35 -10.954 0.068 -6.781 1.00 0.40 N ATOM 563 CA ASN A 35 -11.682 0.350 -5.564 1.00 0.46 C ATOM 564 C ASN A 35 -10.983 -0.401 -4.461 1.00 0.69 C ATOM 565 O ASN A 35 -10.119 -1.227 -4.735 1.00 1.79 O ATOM 566 CB ASN A 35 -13.120 -0.153 -5.648 1.00 0.36 C ATOM 567 CG ASN A 35 -14.112 0.712 -4.888 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.175 0.558 -3.568 1.00 0.96 O flip ATOM 569 ND2 ASN A 35 -14.809 1.529 -5.483 1.00 0.31 N flip ATOM 0 H ASN A 35 -10.367 -0.764 -6.726 1.00 0.40 H new ATOM 0 HA ASN A 35 -11.708 1.426 -5.391 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.419 -0.200 -6.695 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.164 -1.170 -5.258 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -14.735 1.621 -6.496 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -15.462 2.116 -4.964 1.00 0.31 H new ATOM 576 N GLY A 36 -11.365 -0.169 -3.232 1.00 0.36 N ATOM 577 CA GLY A 36 -10.772 -0.930 -2.160 1.00 0.19 C ATOM 578 C GLY A 36 -11.281 -2.348 -2.192 1.00 0.13 C ATOM 579 O GLY A 36 -10.551 -3.291 -1.919 1.00 0.12 O ATOM 0 H GLY A 36 -12.063 0.520 -2.952 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.686 -0.922 -2.255 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.011 -0.470 -1.201 1.00 0.19 H new ATOM 583 N LEU A 37 -12.536 -2.475 -2.592 1.00 0.15 N ATOM 584 CA LEU A 37 -13.242 -3.749 -2.648 1.00 0.16 C ATOM 585 C LEU A 37 -12.568 -4.734 -3.594 1.00 0.17 C ATOM 586 O LEU A 37 -12.780 -5.942 -3.507 1.00 0.22 O ATOM 587 CB LEU A 37 -14.660 -3.480 -3.119 1.00 0.20 C ATOM 588 CG LEU A 37 -15.492 -2.619 -2.168 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.563 -1.865 -2.931 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.121 -3.484 -1.086 1.00 0.30 C ATOM 0 H LEU A 37 -13.104 -1.683 -2.892 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.234 -4.199 -1.655 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.619 -2.989 -4.091 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.168 -4.433 -3.264 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.832 -1.892 -1.694 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.145 -1.258 -2.237 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.094 -1.219 -3.673 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.221 -2.575 -3.432 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.710 -2.858 -0.416 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.767 -4.231 -1.547 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.336 -3.984 -0.518 1.00 0.30 H new ATOM 602 N GLN A 38 -11.751 -4.213 -4.484 1.00 0.14 N ATOM 603 CA GLN A 38 -11.082 -5.047 -5.461 1.00 0.15 C ATOM 604 C GLN A 38 -9.836 -5.620 -4.840 1.00 0.12 C ATOM 605 O GLN A 38 -9.650 -6.831 -4.804 1.00 0.14 O ATOM 606 CB GLN A 38 -10.699 -4.240 -6.691 1.00 0.21 C ATOM 607 CG GLN A 38 -11.652 -3.110 -6.984 1.00 0.22 C ATOM 608 CD GLN A 38 -12.906 -3.563 -7.689 1.00 0.59 C ATOM 609 OE1 GLN A 38 -13.904 -3.906 -7.056 1.00 1.57 O ATOM 610 NE2 GLN A 38 -12.858 -3.561 -9.003 1.00 1.03 N ATOM 0 H GLN A 38 -11.534 -3.219 -4.552 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.760 -5.844 -5.766 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.697 -3.834 -6.553 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -10.658 -4.904 -7.554 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -11.924 -2.620 -6.049 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.146 -2.365 -7.598 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -12.006 -3.268 -9.482 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.672 -3.853 -9.544 1.00 1.03 H new ATOM 619 N ALA A 39 -8.986 -4.727 -4.337 1.00 0.11 N ATOM 620 CA ALA A 39 -7.813 -5.131 -3.590 1.00 0.10 C ATOM 621 C ALA A 39 -8.237 -6.061 -2.461 1.00 0.10 C ATOM 622 O ALA A 39 -7.532 -6.988 -2.098 1.00 0.11 O ATOM 623 CB ALA A 39 -7.075 -3.919 -3.037 1.00 0.11 C ATOM 0 H ALA A 39 -9.095 -3.718 -4.438 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.129 -5.657 -4.257 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.198 -4.250 -2.480 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.761 -3.277 -3.860 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.737 -3.361 -2.374 1.00 0.11 H new ATOM 629 N LEU A 40 -9.420 -5.785 -1.935 1.00 0.11 N ATOM 630 CA LEU A 40 -10.073 -6.614 -0.936 1.00 0.13 C ATOM 631 C LEU A 40 -10.157 -8.066 -1.409 1.00 0.13 C ATOM 632 O LEU A 40 -9.623 -8.978 -0.767 1.00 0.14 O ATOM 633 CB LEU A 40 -11.467 -6.035 -0.695 1.00 0.18 C ATOM 634 CG LEU A 40 -11.962 -6.099 0.744 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.308 -5.403 0.887 1.00 0.34 C ATOM 636 CD2 LEU A 40 -12.058 -7.534 1.187 1.00 0.40 C ATOM 0 H LEU A 40 -9.963 -4.962 -2.196 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.501 -6.614 -0.008 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.470 -4.993 -1.016 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.177 -6.566 -1.329 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.248 -5.578 1.382 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.640 -5.462 1.923 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.209 -4.357 0.597 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -14.040 -5.891 0.243 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -12.413 -7.574 2.217 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.756 -8.068 0.542 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -11.075 -8.001 1.123 1.00 0.40 H new ATOM 648 N ASP A 41 -10.812 -8.263 -2.539 1.00 0.14 N ATOM 649 CA ASP A 41 -10.930 -9.586 -3.144 1.00 0.16 C ATOM 650 C ASP A 41 -9.545 -10.160 -3.423 1.00 0.16 C ATOM 651 O ASP A 41 -9.291 -11.341 -3.197 1.00 0.19 O ATOM 652 CB ASP A 41 -11.730 -9.498 -4.449 1.00 0.21 C ATOM 653 CG ASP A 41 -12.092 -10.856 -5.027 1.00 0.87 C ATOM 654 OD1 ASP A 41 -11.214 -11.519 -5.618 1.00 1.72 O ATOM 655 OD2 ASP A 41 -13.272 -11.256 -4.910 1.00 0.93 O ATOM 0 H ASP A 41 -11.275 -7.520 -3.063 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.453 -10.244 -2.450 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.644 -8.933 -4.269 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.150 -8.941 -5.185 1.00 0.21 H new ATOM 660 N ILE A 42 -8.642 -9.299 -3.879 1.00 0.14 N ATOM 661 CA ILE A 42 -7.291 -9.714 -4.232 1.00 0.15 C ATOM 662 C ILE A 42 -6.458 -10.060 -2.991 1.00 0.14 C ATOM 663 O ILE A 42 -5.514 -10.831 -3.078 1.00 0.17 O ATOM 664 CB ILE A 42 -6.570 -8.634 -5.072 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.414 -8.265 -6.293 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.198 -9.127 -5.517 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.906 -7.044 -7.019 1.00 0.20 C ATOM 0 H ILE A 42 -8.824 -8.304 -4.013 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.388 -10.616 -4.837 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.436 -7.748 -4.451 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.432 -9.109 -6.983 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.442 -8.090 -5.977 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.707 -8.353 -6.107 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.591 -9.355 -4.641 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.313 -10.026 -6.123 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.548 -6.836 -7.875 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.914 -6.189 -6.343 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.888 -7.224 -7.365 1.00 0.20 H new ATOM 679 N VAL A 43 -6.788 -9.506 -1.835 1.00 0.11 N ATOM 680 CA VAL A 43 -6.102 -9.915 -0.613 1.00 0.11 C ATOM 681 C VAL A 43 -6.600 -11.285 -0.183 1.00 0.13 C ATOM 682 O VAL A 43 -5.823 -12.144 0.219 1.00 0.15 O ATOM 683 CB VAL A 43 -6.272 -8.929 0.562 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.611 -9.502 1.811 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.689 -7.566 0.247 1.00 0.14 C ATOM 0 H VAL A 43 -7.506 -8.791 -1.714 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.040 -9.936 -0.856 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.340 -8.796 0.735 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.732 -8.804 2.640 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.078 -10.453 2.066 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.549 -9.659 1.621 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.830 -6.904 1.101 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.624 -7.665 0.037 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.193 -7.147 -0.624 1.00 0.14 H new ATOM 695 N THR A 44 -7.897 -11.493 -0.286 1.00 0.14 N ATOM 696 CA THR A 44 -8.473 -12.789 0.024 1.00 0.19 C ATOM 697 C THR A 44 -8.032 -13.847 -1.003 1.00 0.22 C ATOM 698 O THR A 44 -7.846 -15.016 -0.663 1.00 0.28 O ATOM 699 CB THR A 44 -10.015 -12.686 0.107 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.389 -12.022 1.321 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.688 -14.047 0.044 1.00 0.83 C ATOM 0 H THR A 44 -8.571 -10.786 -0.580 1.00 0.14 H new ATOM 0 HA THR A 44 -8.104 -13.109 0.998 1.00 0.19 H new ATOM 0 HB THR A 44 -10.351 -12.113 -0.757 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.230 -11.538 1.183 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.769 -13.922 0.106 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.433 -14.536 -0.896 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.346 -14.661 0.877 1.00 0.83 H new ATOM 709 N LYS A 45 -7.820 -13.425 -2.249 1.00 0.22 N ATOM 710 CA LYS A 45 -7.434 -14.355 -3.308 1.00 0.27 C ATOM 711 C LYS A 45 -5.913 -14.548 -3.372 1.00 0.27 C ATOM 712 O LYS A 45 -5.434 -15.675 -3.485 1.00 0.30 O ATOM 713 CB LYS A 45 -7.979 -13.889 -4.668 1.00 0.28 C ATOM 714 CG LYS A 45 -7.020 -13.033 -5.469 1.00 0.32 C ATOM 715 CD LYS A 45 -7.567 -12.701 -6.847 1.00 0.33 C ATOM 716 CE LYS A 45 -7.632 -13.932 -7.736 1.00 1.22 C ATOM 717 NZ LYS A 45 -6.282 -14.386 -8.176 1.00 1.64 N ATOM 0 H LYS A 45 -7.908 -12.454 -2.548 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.877 -15.322 -3.068 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.244 -14.766 -5.259 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.898 -13.326 -4.503 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.819 -12.109 -4.927 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.069 -13.555 -5.573 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.563 -12.269 -6.749 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -6.937 -11.946 -7.317 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -8.127 -14.740 -7.197 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -8.242 -13.713 -8.612 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -6.291 -15.416 -8.317 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -6.032 -13.917 -9.070 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -5.580 -14.142 -7.449 1.00 1.64 H new ATOM 731 N GLU A 46 -5.161 -13.454 -3.285 1.00 0.27 N ATOM 732 CA GLU A 46 -3.714 -13.497 -3.452 1.00 0.30 C ATOM 733 C GLU A 46 -3.006 -13.524 -2.113 1.00 0.29 C ATOM 734 O GLU A 46 -2.002 -14.218 -1.952 1.00 0.34 O ATOM 735 CB GLU A 46 -3.223 -12.272 -4.227 1.00 0.29 C ATOM 736 CG GLU A 46 -3.666 -12.239 -5.677 1.00 0.36 C ATOM 737 CD GLU A 46 -3.094 -13.378 -6.491 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.872 -13.372 -6.751 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.872 -14.279 -6.869 1.00 1.76 O ATOM 0 H GLU A 46 -5.534 -12.523 -3.099 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.484 -14.408 -4.004 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.582 -11.372 -3.728 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.134 -12.244 -4.190 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.754 -12.278 -5.721 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.363 -11.292 -6.123 1.00 0.36 H new ATOM 746 N ARG A 47 -3.564 -12.795 -1.146 1.00 0.27 N ATOM 747 CA ARG A 47 -2.889 -12.540 0.118 1.00 0.27 C ATOM 748 C ARG A 47 -1.522 -11.931 -0.158 1.00 0.27 C ATOM 749 O ARG A 47 -0.494 -12.609 -0.072 1.00 0.35 O ATOM 750 CB ARG A 47 -2.741 -13.819 0.950 1.00 0.32 C ATOM 751 CG ARG A 47 -2.258 -13.575 2.373 1.00 0.58 C ATOM 752 CD ARG A 47 -3.343 -12.951 3.233 1.00 1.26 C ATOM 753 NE ARG A 47 -4.555 -13.764 3.238 1.00 2.00 N ATOM 754 CZ ARG A 47 -5.239 -14.087 4.333 1.00 2.89 C ATOM 755 NH1 ARG A 47 -4.821 -13.702 5.532 1.00 3.35 N ATOM 756 NH2 ARG A 47 -6.341 -14.817 4.221 1.00 3.75 N ATOM 0 H ARG A 47 -4.488 -12.370 -1.219 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.496 -11.844 0.697 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.703 -14.331 0.986 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -2.042 -14.488 0.449 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -1.939 -14.518 2.816 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -1.386 -12.921 2.355 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -2.978 -12.834 4.253 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -3.575 -11.953 2.861 1.00 1.26 H new ATOM 0 HE ARG A 47 -4.901 -14.108 2.342 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -3.967 -13.152 5.622 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -5.354 -13.956 6.364 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -6.657 -15.126 3.302 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -6.872 -15.070 5.054 1.00 3.75 H new ATOM 770 N PRO A 48 -1.502 -10.660 -0.582 1.00 0.23 N ATOM 771 CA PRO A 48 -0.264 -9.923 -0.726 1.00 0.22 C ATOM 772 C PRO A 48 0.412 -9.746 0.635 1.00 0.26 C ATOM 773 O PRO A 48 -0.042 -10.303 1.632 1.00 0.44 O ATOM 774 CB PRO A 48 -0.668 -8.570 -1.319 1.00 0.18 C ATOM 775 CG PRO A 48 -2.152 -8.542 -1.391 1.00 0.19 C ATOM 776 CD PRO A 48 -2.683 -9.881 -0.965 1.00 0.34 C ATOM 0 HA PRO A 48 0.452 -10.442 -1.363 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.298 -7.753 -0.699 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.233 -8.440 -2.310 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.546 -7.757 -0.746 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.476 -8.313 -2.406 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.377 -9.782 -0.130 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.227 -10.365 -1.776 1.00 0.34 H new ATOM 784 N ASP A 49 1.481 -8.983 0.697 1.00 0.25 N ATOM 785 CA ASP A 49 2.132 -8.754 1.977 1.00 0.30 C ATOM 786 C ASP A 49 2.182 -7.266 2.286 1.00 0.27 C ATOM 787 O ASP A 49 2.685 -6.855 3.322 1.00 0.47 O ATOM 788 CB ASP A 49 3.533 -9.363 2.000 1.00 0.41 C ATOM 789 CG ASP A 49 3.913 -9.889 3.375 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.389 -9.104 4.223 1.00 1.10 O ATOM 791 OD2 ASP A 49 3.733 -11.105 3.618 1.00 1.43 O ATOM 0 H ASP A 49 1.913 -8.518 -0.101 1.00 0.25 H new ATOM 0 HA ASP A 49 1.545 -9.248 2.751 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.585 -10.176 1.276 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.258 -8.611 1.688 1.00 0.41 H new ATOM 796 N LEU A 50 1.672 -6.462 1.360 1.00 0.17 N ATOM 797 CA LEU A 50 1.480 -5.037 1.596 1.00 0.17 C ATOM 798 C LEU A 50 0.371 -4.518 0.687 1.00 0.14 C ATOM 799 O LEU A 50 0.289 -4.890 -0.481 1.00 0.15 O ATOM 800 CB LEU A 50 2.779 -4.260 1.371 1.00 0.24 C ATOM 801 CG LEU A 50 2.721 -2.762 1.672 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.576 -2.446 2.887 1.00 0.38 C ATOM 803 CD2 LEU A 50 3.190 -1.963 0.466 1.00 0.45 C ATOM 0 H LEU A 50 1.383 -6.776 0.434 1.00 0.17 H new ATOM 0 HA LEU A 50 1.189 -4.888 2.636 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.558 -4.705 1.990 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.083 -4.391 0.332 1.00 0.24 H new ATOM 0 HG LEU A 50 1.690 -2.483 1.887 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.530 -1.377 3.096 1.00 0.38 H new ATOM 0 HD12 LEU A 50 3.203 -3.000 3.748 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.609 -2.733 2.690 1.00 0.38 H new ATOM 0 HD21 LEU A 50 3.143 -0.898 0.694 1.00 0.45 H new ATOM 0 HD22 LEU A 50 4.217 -2.238 0.224 1.00 0.45 H new ATOM 0 HD23 LEU A 50 2.546 -2.180 -0.387 1.00 0.45 H new ATOM 815 N VAL A 51 -0.490 -3.682 1.235 1.00 0.14 N ATOM 816 CA VAL A 51 -1.653 -3.173 0.515 1.00 0.14 C ATOM 817 C VAL A 51 -1.741 -1.668 0.689 1.00 0.17 C ATOM 818 O VAL A 51 -1.503 -1.175 1.773 1.00 0.39 O ATOM 819 CB VAL A 51 -2.949 -3.799 1.070 1.00 0.14 C ATOM 820 CG1 VAL A 51 -4.183 -3.195 0.418 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.939 -5.306 0.889 1.00 0.94 C ATOM 0 H VAL A 51 -0.408 -3.334 2.190 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.543 -3.431 -0.538 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.990 -3.576 2.136 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -5.078 -3.659 0.833 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.208 -2.122 0.611 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -4.149 -3.370 -0.657 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.862 -5.726 1.287 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.860 -5.545 -0.172 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.088 -5.731 1.421 1.00 0.94 H new ATOM 831 N LEU A 52 -2.065 -0.943 -0.364 1.00 0.14 N ATOM 832 CA LEU A 52 -2.295 0.487 -0.247 1.00 0.13 C ATOM 833 C LEU A 52 -3.709 0.849 -0.660 1.00 0.14 C ATOM 834 O LEU A 52 -4.148 0.543 -1.770 1.00 0.18 O ATOM 835 CB LEU A 52 -1.286 1.304 -1.056 1.00 0.15 C ATOM 836 CG LEU A 52 -0.039 1.721 -0.274 1.00 0.17 C ATOM 837 CD1 LEU A 52 0.923 0.555 -0.122 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.640 2.907 -0.943 1.00 0.25 C ATOM 0 H LEU A 52 -2.175 -1.317 -1.307 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.159 0.739 0.805 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.978 0.721 -1.924 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.780 2.200 -1.432 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.349 2.027 0.725 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.801 0.878 0.437 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.430 -0.256 0.414 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.230 0.205 -1.108 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.525 3.189 -0.372 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.934 2.634 -1.957 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.051 3.749 -0.980 1.00 0.25 H new ATOM 850 N LEU A 53 -4.415 1.505 0.247 1.00 0.16 N ATOM 851 CA LEU A 53 -5.796 1.890 0.020 1.00 0.17 C ATOM 852 C LEU A 53 -5.915 3.401 0.007 1.00 0.19 C ATOM 853 O LEU A 53 -5.905 4.035 1.055 1.00 0.36 O ATOM 854 CB LEU A 53 -6.702 1.343 1.130 1.00 0.21 C ATOM 855 CG LEU A 53 -6.591 -0.158 1.402 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.527 -0.562 2.519 1.00 0.42 C ATOM 857 CD2 LEU A 53 -6.890 -0.969 0.152 1.00 0.53 C ATOM 0 H LEU A 53 -4.048 1.784 1.157 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.107 1.477 -0.940 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.477 1.878 2.053 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.737 1.571 0.874 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.565 -0.367 1.704 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.436 -1.633 2.700 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.267 -0.017 3.426 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.553 -0.328 2.236 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.803 -2.032 0.378 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -7.903 -0.752 -0.189 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -6.179 -0.705 -0.631 1.00 0.53 H new ATOM 869 N ASP A 54 -6.014 3.986 -1.161 1.00 0.23 N ATOM 870 CA ASP A 54 -6.199 5.423 -1.250 1.00 0.23 C ATOM 871 C ASP A 54 -7.601 5.794 -0.791 1.00 0.24 C ATOM 872 O ASP A 54 -8.552 5.544 -1.494 1.00 0.29 O ATOM 873 CB ASP A 54 -6.003 5.898 -2.688 1.00 0.29 C ATOM 874 CG ASP A 54 -5.983 7.410 -2.794 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.494 8.071 -1.857 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.456 7.938 -3.822 1.00 0.35 O ATOM 0 H ASP A 54 -5.971 3.501 -2.057 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.461 5.905 -0.609 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -5.068 5.496 -3.077 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.804 5.502 -3.312 1.00 0.29 H new ATOM 881 N MET A 55 -7.751 6.390 0.381 1.00 0.22 N ATOM 882 CA MET A 55 -9.083 6.819 0.815 1.00 0.25 C ATOM 883 C MET A 55 -9.476 8.080 0.047 1.00 0.26 C ATOM 884 O MET A 55 -10.566 8.623 0.204 1.00 0.29 O ATOM 885 CB MET A 55 -9.148 7.046 2.333 1.00 0.26 C ATOM 886 CG MET A 55 -8.230 8.150 2.844 1.00 0.25 C ATOM 887 SD MET A 55 -9.055 9.317 3.956 1.00 0.68 S ATOM 888 CE MET A 55 -10.483 9.791 2.987 1.00 0.38 C ATOM 0 H MET A 55 -6.995 6.586 1.037 1.00 0.22 H new ATOM 0 HA MET A 55 -9.795 6.024 0.594 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.175 7.287 2.608 1.00 0.26 H new ATOM 0 HB3 MET A 55 -8.893 6.115 2.839 1.00 0.26 H new ATOM 0 HG2 MET A 55 -7.386 7.698 3.365 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.823 8.697 1.993 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.964 10.655 3.446 1.00 0.38 H new ATOM 0 HE2 MET A 55 -10.168 10.047 1.975 1.00 0.38 H new ATOM 0 HE3 MET A 55 -11.188 8.961 2.948 1.00 0.38 H new ATOM 898 N LYS A 56 -8.565 8.507 -0.810 1.00 0.26 N ATOM 899 CA LYS A 56 -8.779 9.624 -1.706 1.00 0.31 C ATOM 900 C LYS A 56 -9.325 9.088 -3.026 1.00 0.35 C ATOM 901 O LYS A 56 -9.682 9.839 -3.939 1.00 0.41 O ATOM 902 CB LYS A 56 -7.453 10.357 -1.896 1.00 0.35 C ATOM 903 CG LYS A 56 -7.487 11.504 -2.880 1.00 0.45 C ATOM 904 CD LYS A 56 -8.686 12.429 -2.689 1.00 0.49 C ATOM 905 CE LYS A 56 -8.910 12.807 -1.235 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.842 13.962 -1.104 1.00 0.44 N ATOM 0 H LYS A 56 -7.643 8.080 -0.902 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.502 10.330 -1.299 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -7.125 10.738 -0.929 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.703 9.638 -2.226 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.570 12.085 -2.782 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.504 11.103 -3.894 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.538 13.335 -3.277 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.581 11.941 -3.075 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.313 11.951 -0.694 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -7.955 13.056 -0.772 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.024 14.149 -0.097 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.415 14.804 -1.540 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.738 13.741 -1.583 1.00 0.44 H new ATOM 920 N ILE A 57 -9.416 7.764 -3.073 1.00 0.36 N ATOM 921 CA ILE A 57 -9.858 7.028 -4.244 1.00 0.43 C ATOM 922 C ILE A 57 -11.132 7.617 -4.838 1.00 0.38 C ATOM 923 O ILE A 57 -12.097 7.903 -4.123 1.00 0.45 O ATOM 924 CB ILE A 57 -10.090 5.535 -3.888 1.00 0.57 C ATOM 925 CG1 ILE A 57 -10.491 4.722 -5.115 1.00 0.93 C ATOM 926 CG2 ILE A 57 -11.150 5.393 -2.804 1.00 0.71 C ATOM 927 CD1 ILE A 57 -9.369 4.530 -6.098 1.00 1.79 C ATOM 0 H ILE A 57 -9.180 7.164 -2.282 1.00 0.36 H new ATOM 0 HA ILE A 57 -9.069 7.107 -4.992 1.00 0.43 H new ATOM 0 HB ILE A 57 -9.145 5.143 -3.512 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -10.852 3.746 -4.792 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -11.321 5.220 -5.616 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -11.294 4.338 -2.572 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.826 5.920 -1.907 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -12.090 5.819 -3.156 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -9.724 3.944 -6.945 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -9.022 5.502 -6.449 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -8.546 4.005 -5.613 1.00 1.79 H new ATOM 939 N PRO A 58 -11.112 7.859 -6.157 1.00 0.34 N ATOM 940 CA PRO A 58 -12.283 8.227 -6.950 1.00 0.31 C ATOM 941 C PRO A 58 -13.571 7.508 -6.519 1.00 0.41 C ATOM 942 O PRO A 58 -14.655 8.091 -6.562 1.00 1.18 O ATOM 943 CB PRO A 58 -11.881 7.805 -8.374 1.00 0.46 C ATOM 944 CG PRO A 58 -10.454 7.353 -8.297 1.00 0.70 C ATOM 945 CD PRO A 58 -9.913 7.845 -6.995 1.00 0.41 C ATOM 0 HA PRO A 58 -12.522 9.285 -6.841 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.523 7.002 -8.737 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.987 8.637 -9.070 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.389 6.267 -8.356 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.877 7.753 -9.131 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.144 7.184 -6.596 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.467 8.835 -7.086 1.00 0.41 H new ATOM 953 N GLY A 59 -13.453 6.253 -6.089 1.00 0.86 N ATOM 954 CA GLY A 59 -14.629 5.498 -5.693 1.00 0.93 C ATOM 955 C GLY A 59 -14.537 4.911 -4.294 1.00 0.80 C ATOM 956 O GLY A 59 -13.881 3.896 -4.098 1.00 1.71 O ATOM 0 H GLY A 59 -12.570 5.749 -6.008 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.502 6.148 -5.748 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.788 4.690 -6.407 1.00 0.93 H new ATOM 960 N MET A 60 -15.208 5.586 -3.348 1.00 0.77 N ATOM 961 CA MET A 60 -15.418 5.146 -1.942 1.00 0.49 C ATOM 962 C MET A 60 -14.170 4.616 -1.213 1.00 0.60 C ATOM 963 O MET A 60 -13.494 3.688 -1.657 1.00 1.30 O ATOM 964 CB MET A 60 -16.562 4.127 -1.841 1.00 0.65 C ATOM 965 CG MET A 60 -16.277 2.812 -2.527 1.00 0.83 C ATOM 966 SD MET A 60 -17.416 1.499 -2.043 1.00 1.92 S ATOM 967 CE MET A 60 -17.148 1.442 -0.272 1.00 2.52 C ATOM 0 H MET A 60 -15.640 6.490 -3.540 1.00 0.77 H new ATOM 0 HA MET A 60 -15.685 6.065 -1.419 1.00 0.49 H new ATOM 0 HB2 MET A 60 -16.774 3.937 -0.789 1.00 0.65 H new ATOM 0 HB3 MET A 60 -17.462 4.563 -2.274 1.00 0.65 H new ATOM 0 HG2 MET A 60 -16.332 2.953 -3.606 1.00 0.83 H new ATOM 0 HG3 MET A 60 -15.257 2.503 -2.298 1.00 0.83 H new ATOM 0 HE1 MET A 60 -17.406 0.452 0.103 1.00 2.52 H new ATOM 0 HE2 MET A 60 -16.100 1.651 -0.056 1.00 2.52 H new ATOM 0 HE3 MET A 60 -17.775 2.189 0.215 1.00 2.52 H new ATOM 977 N ASP A 61 -13.920 5.191 -0.037 1.00 0.36 N ATOM 978 CA ASP A 61 -12.773 4.829 0.804 1.00 0.35 C ATOM 979 C ASP A 61 -12.727 3.325 1.044 1.00 0.47 C ATOM 980 O ASP A 61 -13.735 2.712 1.395 1.00 1.11 O ATOM 981 CB ASP A 61 -12.853 5.525 2.172 1.00 0.42 C ATOM 982 CG ASP A 61 -13.644 6.816 2.150 1.00 0.68 C ATOM 983 OD1 ASP A 61 -14.888 6.747 2.067 1.00 1.07 O ATOM 984 OD2 ASP A 61 -13.034 7.896 2.222 1.00 0.99 O ATOM 0 H ASP A 61 -14.507 5.923 0.363 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.876 5.150 0.274 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -13.306 4.843 2.891 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -11.843 5.734 2.524 1.00 0.42 H new ATOM 989 N GLY A 62 -11.550 2.741 0.872 1.00 0.36 N ATOM 990 CA GLY A 62 -11.376 1.325 1.141 1.00 0.32 C ATOM 991 C GLY A 62 -11.068 1.056 2.600 1.00 0.29 C ATOM 992 O GLY A 62 -10.340 0.129 2.925 1.00 0.31 O ATOM 0 H GLY A 62 -10.710 3.222 0.550 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -12.281 0.789 0.857 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.567 0.936 0.522 1.00 0.32 H new ATOM 996 N ILE A 63 -11.638 1.856 3.483 1.00 0.28 N ATOM 997 CA ILE A 63 -11.354 1.750 4.908 1.00 0.29 C ATOM 998 C ILE A 63 -11.849 0.424 5.461 1.00 0.29 C ATOM 999 O ILE A 63 -11.069 -0.379 5.972 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.019 2.895 5.701 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.182 4.189 5.619 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.237 2.465 7.154 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.479 4.405 4.300 1.00 0.52 C ATOM 0 H ILE A 63 -12.303 2.590 3.240 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.272 1.816 5.022 1.00 0.29 H new ATOM 0 HB ILE A 63 -12.990 3.110 5.254 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.835 5.040 5.810 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.436 4.174 6.414 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.707 3.278 7.708 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -12.883 1.587 7.181 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.277 2.223 7.610 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.917 5.338 4.336 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.796 3.577 4.112 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.216 4.457 3.499 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.150 0.198 5.356 1.00 0.31 N ATOM 1016 CA GLU A 64 -13.736 -1.027 5.856 1.00 0.35 C ATOM 1017 C GLU A 64 -13.301 -2.191 4.975 1.00 0.29 C ATOM 1018 O GLU A 64 -13.521 -3.354 5.296 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.255 -0.910 5.905 1.00 0.46 C ATOM 1020 CG GLU A 64 -15.730 0.152 6.880 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.201 0.463 6.738 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -17.573 1.215 5.813 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -17.993 -0.061 7.542 1.00 1.69 O ATOM 0 H GLU A 64 -13.813 0.846 4.931 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.387 -1.208 6.873 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.630 -0.676 4.908 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.680 -1.873 6.187 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.531 -0.182 7.898 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -15.154 1.064 6.725 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.671 -1.851 3.862 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.020 -2.831 3.011 1.00 0.24 C ATOM 1032 C ILE A 65 -10.845 -3.430 3.778 1.00 0.24 C ATOM 1033 O ILE A 65 -10.701 -4.650 3.867 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.519 -2.182 1.691 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.655 -2.004 0.661 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.383 -2.996 1.089 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -14.002 -1.633 1.241 1.00 0.50 C ATOM 0 H ILE A 65 -12.597 -0.891 3.525 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.736 -3.609 2.745 1.00 0.24 H new ATOM 0 HB ILE A 65 -11.149 -1.188 1.944 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.360 -1.233 -0.051 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.763 -2.932 0.100 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.047 -2.524 0.166 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.554 -3.042 1.795 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -10.733 -4.006 0.874 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.730 -1.532 0.436 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -14.329 -2.412 1.930 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -13.920 -0.687 1.776 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.030 -2.552 4.360 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.942 -2.971 5.229 1.00 0.26 C ATOM 1051 C ALA A 66 -9.502 -3.638 6.471 1.00 0.24 C ATOM 1052 O ALA A 66 -8.895 -4.546 7.014 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.070 -1.785 5.617 1.00 0.28 C ATOM 0 H ALA A 66 -10.107 -1.542 4.242 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.322 -3.685 4.687 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.263 -2.124 6.267 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.647 -1.335 4.719 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.674 -1.046 6.143 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.667 -3.175 6.910 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.392 -3.820 7.996 1.00 0.23 C ATOM 1061 C LYS A 67 -11.603 -5.295 7.703 1.00 0.24 C ATOM 1062 O LYS A 67 -11.213 -6.162 8.475 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.746 -3.155 8.206 1.00 0.26 C ATOM 1064 CG LYS A 67 -13.797 -4.111 8.720 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.525 -3.561 9.930 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.295 -2.294 9.609 1.00 0.72 C ATOM 1067 NZ LYS A 67 -16.025 -1.784 10.796 1.00 1.05 N ATOM 0 H LYS A 67 -11.131 -2.351 6.527 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.793 -3.716 8.901 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.635 -2.331 8.911 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -13.084 -2.724 7.263 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.516 -4.318 7.928 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -13.327 -5.060 8.980 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -15.213 -4.315 10.312 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.805 -3.356 10.723 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -14.606 -1.530 9.249 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -16.002 -2.491 8.803 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.540 -0.917 10.541 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -16.700 -2.504 11.124 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -15.347 -1.573 11.556 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.219 -5.565 6.575 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.541 -6.918 6.188 1.00 0.23 C ATOM 1083 C ARG A 68 -11.261 -7.698 5.964 1.00 0.24 C ATOM 1084 O ARG A 68 -11.186 -8.897 6.221 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.396 -6.891 4.929 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.710 -6.172 5.154 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.246 -5.538 3.877 1.00 0.30 C ATOM 1088 NE ARG A 68 -15.677 -6.520 2.883 1.00 0.84 N ATOM 1089 CZ ARG A 68 -16.573 -6.261 1.928 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.194 -5.087 1.899 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -16.861 -7.181 1.015 1.00 1.58 N ATOM 0 H ARG A 68 -12.510 -4.855 5.903 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.107 -7.411 6.979 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.846 -6.399 4.127 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.592 -7.912 4.601 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.445 -6.876 5.544 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.575 -5.400 5.912 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -16.086 -4.890 4.126 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -14.473 -4.905 3.441 1.00 0.30 H new ATOM 0 HE ARG A 68 -15.270 -7.455 2.921 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.986 -4.383 2.607 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -17.878 -4.890 1.169 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -16.397 -8.089 1.042 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -17.546 -6.980 0.287 1.00 1.58 H new ATOM 1105 N MET A 69 -10.239 -6.990 5.518 1.00 0.23 N ATOM 1106 CA MET A 69 -8.948 -7.593 5.283 1.00 0.26 C ATOM 1107 C MET A 69 -8.128 -7.694 6.577 1.00 0.18 C ATOM 1108 O MET A 69 -7.112 -8.382 6.618 1.00 0.19 O ATOM 1109 CB MET A 69 -8.202 -6.830 4.184 1.00 0.42 C ATOM 1110 CG MET A 69 -8.707 -7.125 2.764 1.00 0.60 C ATOM 1111 SD MET A 69 -8.807 -8.892 2.376 1.00 2.21 S ATOM 1112 CE MET A 69 -10.354 -9.386 3.131 1.00 3.06 C ATOM 0 H MET A 69 -10.283 -5.992 5.312 1.00 0.23 H new ATOM 0 HA MET A 69 -9.101 -8.615 4.936 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.290 -5.760 4.375 1.00 0.42 H new ATOM 0 HB3 MET A 69 -7.142 -7.077 4.240 1.00 0.42 H new ATOM 0 HG2 MET A 69 -9.694 -6.679 2.639 1.00 0.60 H new ATOM 0 HG3 MET A 69 -8.045 -6.642 2.045 1.00 0.60 H new ATOM 0 HE1 MET A 69 -10.156 -10.092 3.937 1.00 3.06 H new ATOM 0 HE2 MET A 69 -10.859 -8.508 3.534 1.00 3.06 H new ATOM 0 HE3 MET A 69 -10.990 -9.859 2.382 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.568 -7.023 7.643 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.003 -7.282 8.962 1.00 0.20 C ATOM 1124 C LYS A 70 -8.850 -8.336 9.658 1.00 0.19 C ATOM 1125 O LYS A 70 -8.441 -8.935 10.647 1.00 0.23 O ATOM 1126 CB LYS A 70 -7.879 -6.030 9.843 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.185 -5.565 10.448 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.011 -5.060 11.870 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.788 -6.203 12.846 1.00 0.47 C ATOM 1130 NZ LYS A 70 -8.678 -5.721 14.248 1.00 0.75 N ATOM 0 H LYS A 70 -9.298 -6.311 7.619 1.00 0.19 H new ATOM 0 HA LYS A 70 -6.983 -7.636 8.812 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.172 -6.234 10.647 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -7.459 -5.220 9.247 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -9.607 -4.771 9.831 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -9.900 -6.388 10.441 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -8.165 -4.374 11.912 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -9.894 -4.495 12.167 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.612 -6.912 12.769 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.879 -6.740 12.574 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.526 -6.531 14.883 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -7.876 -5.064 14.327 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.555 -5.230 14.516 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.046 -8.549 9.143 1.00 0.19 N ATOM 1145 CA VAL A 71 -10.816 -9.715 9.523 1.00 0.23 C ATOM 1146 C VAL A 71 -10.220 -10.947 8.838 1.00 0.27 C ATOM 1147 O VAL A 71 -10.287 -12.063 9.352 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.309 -9.552 9.150 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.091 -10.831 9.417 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -12.921 -8.390 9.916 1.00 0.25 C ATOM 0 H VAL A 71 -10.501 -7.936 8.467 1.00 0.19 H new ATOM 0 HA VAL A 71 -10.766 -9.835 10.605 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.366 -9.342 8.082 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.136 -10.682 9.144 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.673 -11.644 8.823 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.025 -11.084 10.475 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -13.971 -8.287 9.643 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -12.841 -8.577 10.987 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.390 -7.471 9.668 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.609 -10.718 7.680 1.00 0.25 N ATOM 1161 CA ILE A 72 -8.988 -11.787 6.910 1.00 0.30 C ATOM 1162 C ILE A 72 -7.520 -12.014 7.323 1.00 0.29 C ATOM 1163 O ILE A 72 -7.033 -13.144 7.279 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.083 -11.486 5.384 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.502 -12.731 4.599 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.772 -10.949 4.830 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -10.831 -13.305 5.043 1.00 1.11 C ATOM 0 H ILE A 72 -9.531 -9.795 7.253 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.535 -12.705 7.125 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.846 -10.717 5.264 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.559 -12.481 3.540 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.731 -13.495 4.705 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.881 -10.752 3.763 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.511 -10.024 5.345 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -6.983 -11.685 4.984 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.065 -14.185 4.444 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -10.773 -13.586 6.094 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.613 -12.557 4.910 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.819 -10.948 7.732 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.378 -11.051 8.013 1.00 0.21 C ATOM 1181 C ASP A 73 -4.958 -10.243 9.252 1.00 0.22 C ATOM 1182 O ASP A 73 -3.838 -10.380 9.737 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.586 -10.578 6.788 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.118 -10.954 6.848 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.768 -12.071 6.413 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.309 -10.135 7.322 1.00 0.29 O ATOM 0 H ASP A 73 -7.216 -10.019 7.874 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.159 -12.097 8.226 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -5.028 -11.007 5.889 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.674 -9.495 6.701 1.00 0.23 H new ATOM 1191 N GLU A 74 -5.864 -9.400 9.749 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.638 -8.569 10.956 1.00 0.35 C ATOM 1193 C GLU A 74 -4.682 -7.389 10.717 1.00 0.43 C ATOM 1194 O GLU A 74 -4.762 -6.381 11.416 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.142 -9.425 12.125 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.198 -8.701 13.453 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.494 -9.454 14.561 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -5.144 -10.294 15.216 1.00 1.00 O ATOM 1199 OE2 GLU A 74 -3.290 -9.218 14.778 1.00 0.92 O ATOM 0 H GLU A 74 -6.784 -9.266 9.331 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.607 -8.139 11.208 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -5.744 -10.331 12.186 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.116 -9.737 11.930 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.744 -7.716 13.344 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.240 -8.543 13.732 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.787 -7.518 9.747 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.848 -6.458 9.381 1.00 0.22 C ATOM 1208 C ASN A 75 -2.075 -6.892 8.160 1.00 0.19 C ATOM 1209 O ASN A 75 -0.914 -7.295 8.228 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.889 -6.068 10.522 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.194 -7.241 11.186 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.079 -7.619 10.820 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.849 -7.818 12.175 1.00 0.37 N ATOM 0 H ASN A 75 -3.689 -8.365 9.187 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.430 -5.562 9.167 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -1.133 -5.389 10.128 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.449 -5.518 11.278 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.434 -8.609 12.669 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.770 -7.474 12.446 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.753 -6.819 7.036 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.180 -7.195 5.754 1.00 0.23 C ATOM 1222 C ILE A 76 -1.318 -6.025 5.234 1.00 0.21 C ATOM 1223 O ILE A 76 -1.116 -5.825 4.040 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.323 -7.625 4.787 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.845 -8.657 3.742 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -3.994 -6.428 4.126 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -1.998 -8.105 2.618 1.00 0.83 C ATOM 0 H ILE A 76 -3.719 -6.497 6.981 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.518 -8.056 5.842 1.00 0.23 H new ATOM 0 HB ILE A 76 -4.077 -8.118 5.400 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -2.275 -9.431 4.256 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -3.720 -9.141 3.309 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -4.784 -6.775 3.461 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.423 -5.782 4.892 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.256 -5.869 3.551 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.718 -8.914 1.943 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -2.566 -7.354 2.069 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -1.098 -7.648 3.031 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.792 -5.262 6.198 1.00 0.20 N ATOM 1240 CA ARG A 77 0.155 -4.184 5.944 1.00 0.19 C ATOM 1241 C ARG A 77 -0.465 -3.104 5.069 1.00 0.16 C ATOM 1242 O ARG A 77 0.076 -2.758 4.019 1.00 0.16 O ATOM 1243 CB ARG A 77 1.414 -4.727 5.267 1.00 0.26 C ATOM 1244 CG ARG A 77 2.050 -5.914 5.975 1.00 0.31 C ATOM 1245 CD ARG A 77 2.878 -5.515 7.179 1.00 0.39 C ATOM 1246 NE ARG A 77 4.149 -6.239 7.204 1.00 0.74 N ATOM 1247 CZ ARG A 77 5.241 -5.824 7.843 1.00 1.32 C ATOM 1248 NH1 ARG A 77 5.215 -4.707 8.558 1.00 1.92 N ATOM 1249 NH2 ARG A 77 6.357 -6.539 7.767 1.00 1.62 N ATOM 0 H ARG A 77 -1.018 -5.381 7.186 1.00 0.20 H new ATOM 0 HA ARG A 77 0.422 -3.745 6.905 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.165 -5.019 4.247 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.149 -3.925 5.198 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.267 -6.602 6.292 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.682 -6.454 5.270 1.00 0.31 H new ATOM 0 HD2 ARG A 77 3.067 -4.442 7.155 1.00 0.39 H new ATOM 0 HD3 ARG A 77 2.320 -5.720 8.093 1.00 0.39 H new ATOM 0 HE ARG A 77 4.202 -7.122 6.697 1.00 0.74 H new ATOM 0 HH11 ARG A 77 4.356 -4.161 8.620 1.00 1.92 H new ATOM 0 HH12 ARG A 77 6.054 -4.394 9.045 1.00 1.92 H new ATOM 0 HH21 ARG A 77 6.374 -7.401 7.221 1.00 1.62 H new ATOM 0 HH22 ARG A 77 7.197 -6.227 8.254 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.602 -2.577 5.491 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.287 -1.563 4.700 1.00 0.17 C ATOM 1265 C VAL A 78 -1.683 -0.156 4.871 1.00 0.16 C ATOM 1266 O VAL A 78 -1.391 0.298 5.972 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.800 -1.535 5.011 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.486 -0.378 4.299 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.446 -2.856 4.618 1.00 0.35 C ATOM 0 H VAL A 78 -2.067 -2.828 6.364 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.144 -1.850 3.658 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.921 -1.389 6.084 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.550 -0.384 4.537 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.046 0.564 4.627 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.354 -0.484 3.222 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.512 -2.821 4.843 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.306 -3.026 3.550 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.983 -3.668 5.179 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.474 0.506 3.748 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.094 1.900 3.718 1.00 0.14 C ATOM 1281 C ILE A 79 -2.185 2.691 3.011 1.00 0.12 C ATOM 1282 O ILE A 79 -2.346 2.606 1.799 1.00 0.18 O ATOM 1283 CB ILE A 79 0.267 2.136 3.015 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.428 1.599 3.856 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.478 3.615 2.725 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.583 0.100 3.795 1.00 0.45 C ATOM 0 H ILE A 79 -1.565 0.084 2.824 1.00 0.13 H new ATOM 0 HA ILE A 79 -0.977 2.236 4.748 1.00 0.14 H new ATOM 0 HB ILE A 79 0.245 1.591 2.071 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.354 2.064 3.519 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.281 1.898 4.894 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.440 3.755 2.232 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.319 3.976 2.075 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.465 4.175 3.660 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.426 -0.204 4.416 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.673 -0.375 4.161 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.763 -0.206 2.764 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.958 3.430 3.775 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.070 4.178 3.221 1.00 0.15 C ATOM 1300 C ILE A 80 -3.670 5.621 2.943 1.00 0.16 C ATOM 1301 O ILE A 80 -3.060 6.274 3.782 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.301 4.115 4.143 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.225 5.313 3.906 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.876 4.024 5.608 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.356 5.399 4.894 1.00 0.22 C ATOM 0 H ILE A 80 -2.839 3.531 4.783 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.343 3.714 2.273 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.862 3.212 3.901 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.638 6.230 3.956 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.636 5.252 2.898 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.762 3.981 6.242 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.278 3.125 5.758 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.285 4.901 5.870 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.971 6.270 4.668 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.965 4.498 4.829 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.952 5.492 5.902 1.00 0.22 H new ATOM 1317 N MET A 81 -4.032 6.120 1.770 1.00 0.21 N ATOM 1318 CA MET A 81 -3.539 7.407 1.310 1.00 0.23 C ATOM 1319 C MET A 81 -4.634 8.452 1.379 1.00 0.20 C ATOM 1320 O MET A 81 -5.799 8.155 1.142 1.00 0.23 O ATOM 1321 CB MET A 81 -3.010 7.296 -0.118 1.00 0.32 C ATOM 1322 CG MET A 81 -2.056 6.131 -0.321 1.00 0.38 C ATOM 1323 SD MET A 81 -1.102 6.253 -1.847 1.00 0.63 S ATOM 1324 CE MET A 81 -2.412 6.376 -3.063 1.00 1.09 C ATOM 0 H MET A 81 -4.665 5.653 1.121 1.00 0.21 H new ATOM 0 HA MET A 81 -2.723 7.714 1.964 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.852 7.189 -0.802 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.501 8.223 -0.382 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.371 6.079 0.525 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.625 5.201 -0.329 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.978 6.529 -4.051 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.997 5.456 -3.062 1.00 1.09 H new ATOM 0 HE3 MET A 81 -3.059 7.218 -2.817 1.00 1.09 H new ATOM 1334 N THR A 82 -4.259 9.667 1.735 1.00 0.20 N ATOM 1335 CA THR A 82 -5.216 10.751 1.874 1.00 0.20 C ATOM 1336 C THR A 82 -4.748 11.968 1.086 1.00 0.19 C ATOM 1337 O THR A 82 -3.692 11.930 0.480 1.00 0.20 O ATOM 1338 CB THR A 82 -5.387 11.131 3.352 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.301 11.963 3.780 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.448 9.895 4.237 1.00 0.53 C ATOM 0 H THR A 82 -3.294 9.929 1.934 1.00 0.20 H new ATOM 0 HA THR A 82 -6.175 10.414 1.482 1.00 0.20 H new ATOM 0 HB THR A 82 -6.327 11.675 3.445 1.00 0.29 H new ATOM 0 HG1 THR A 82 -3.925 11.608 4.613 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.569 10.198 5.277 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.293 9.275 3.939 1.00 0.53 H new ATOM 0 HG23 THR A 82 -4.525 9.325 4.130 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.509 13.055 1.110 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.108 14.287 0.425 1.00 0.25 C ATOM 1350 C ALA A 83 -4.036 15.024 1.230 1.00 0.28 C ATOM 1351 O ALA A 83 -4.037 16.250 1.312 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.322 15.179 0.213 1.00 0.31 C ATOM 0 H ALA A 83 -6.405 13.113 1.593 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.686 14.028 -0.546 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.017 16.093 -0.297 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.058 14.653 -0.395 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.761 15.431 1.178 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.118 14.244 1.805 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.074 14.724 2.721 1.00 0.45 C ATOM 1360 C TYR A 84 -2.648 15.317 4.014 1.00 0.61 C ATOM 1361 O TYR A 84 -2.007 15.279 5.065 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.144 15.708 2.006 1.00 0.47 C ATOM 1363 CG TYR A 84 -0.057 16.295 2.884 1.00 0.94 C ATOM 1364 CD1 TYR A 84 0.921 15.483 3.447 1.00 1.82 C ATOM 1365 CD2 TYR A 84 -0.014 17.657 3.158 1.00 0.98 C ATOM 1366 CE1 TYR A 84 1.910 16.013 4.255 1.00 2.58 C ATOM 1367 CE2 TYR A 84 0.971 18.192 3.965 1.00 1.61 C ATOM 1368 CZ TYR A 84 1.946 17.380 4.482 1.00 2.42 C ATOM 1369 OH TYR A 84 2.909 17.900 5.322 1.00 3.19 O ATOM 0 H TYR A 84 -3.077 13.238 1.645 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.486 13.858 3.026 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.677 15.200 1.162 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.742 16.522 1.597 1.00 0.47 H new ATOM 0 HD1 TYR A 84 0.908 14.421 3.250 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -0.763 18.308 2.733 1.00 0.98 H new ATOM 0 HE1 TYR A 84 2.649 15.367 4.706 1.00 2.58 H new ATOM 0 HE2 TYR A 84 0.973 19.249 4.188 1.00 1.61 H new ATOM 0 HH TYR A 84 2.804 18.873 5.378 1.00 3.19 H new ATOM 1379 N GLY A 85 -3.849 15.849 3.937 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.512 16.362 5.114 1.00 0.62 C ATOM 1381 C GLY A 85 -5.978 16.003 5.149 1.00 0.62 C ATOM 1382 O GLY A 85 -6.756 16.631 5.862 1.00 0.75 O ATOM 0 H GLY A 85 -4.384 15.937 3.073 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.023 15.968 6.005 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.405 17.446 5.145 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.361 14.994 4.376 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.742 14.522 4.377 1.00 0.53 C ATOM 1388 C GLU A 86 -8.026 13.725 5.651 1.00 0.51 C ATOM 1389 O GLU A 86 -8.647 14.229 6.581 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.011 13.655 3.146 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.441 13.165 3.037 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.357 14.191 2.418 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.545 15.259 3.030 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -10.913 13.929 1.337 1.00 1.12 O ATOM 0 H GLU A 86 -5.740 14.489 3.744 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.404 15.387 4.346 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.764 14.226 2.251 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.343 12.794 3.168 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.465 12.254 2.440 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.809 12.905 4.029 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.530 12.485 5.674 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.673 11.577 6.815 1.00 0.42 C ATOM 1403 C LEU A 87 -9.093 11.588 7.384 1.00 0.49 C ATOM 1404 O LEU A 87 -9.307 11.989 8.528 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.673 11.915 7.932 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.187 11.812 7.566 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.714 13.058 6.833 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.351 11.576 8.814 1.00 0.52 C ATOM 0 H LEU A 87 -7.013 12.079 4.894 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.460 10.577 6.437 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -6.872 12.931 8.274 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -6.865 11.252 8.775 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.061 10.962 6.895 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.657 12.956 6.587 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.290 13.181 5.916 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -4.855 13.931 7.470 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.299 11.505 8.539 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -4.490 12.406 9.507 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.665 10.648 9.292 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.062 11.146 6.594 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.452 11.135 7.045 1.00 0.71 C ATOM 1422 C ASP A 88 -11.713 9.926 7.933 1.00 0.77 C ATOM 1423 O ASP A 88 -11.767 10.043 9.154 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.417 11.133 5.857 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.871 11.124 6.294 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.397 12.199 6.651 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.495 10.043 6.279 1.00 1.52 O ATOM 0 H ASP A 88 -9.917 10.794 5.648 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.624 12.043 7.623 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -12.231 12.012 5.240 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.222 10.259 5.235 1.00 0.91 H new ATOM 1432 N MET A 89 -11.833 8.762 7.315 1.00 0.63 N ATOM 1433 CA MET A 89 -12.076 7.519 8.042 1.00 0.55 C ATOM 1434 C MET A 89 -10.733 6.861 8.381 1.00 0.45 C ATOM 1435 O MET A 89 -10.636 5.653 8.643 1.00 0.47 O ATOM 1436 CB MET A 89 -12.942 6.593 7.185 1.00 0.73 C ATOM 1437 CG MET A 89 -13.697 5.551 7.986 1.00 0.82 C ATOM 1438 SD MET A 89 -15.082 6.243 8.910 1.00 1.55 S ATOM 1439 CE MET A 89 -16.129 6.813 7.572 1.00 2.18 C ATOM 0 H MET A 89 -11.766 8.648 6.304 1.00 0.63 H new ATOM 0 HA MET A 89 -12.606 7.723 8.973 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.657 7.195 6.624 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.308 6.089 6.456 1.00 0.73 H new ATOM 0 HG2 MET A 89 -14.067 4.779 7.311 1.00 0.82 H new ATOM 0 HG3 MET A 89 -13.010 5.066 8.680 1.00 0.82 H new ATOM 0 HE1 MET A 89 -17.167 6.833 7.905 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.824 7.816 7.274 1.00 2.18 H new ATOM 0 HE3 MET A 89 -16.034 6.137 6.722 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.702 7.702 8.390 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.325 7.280 8.582 1.00 0.31 C ATOM 1451 C ILE A 90 -8.118 6.531 9.898 1.00 0.27 C ATOM 1452 O ILE A 90 -7.351 5.568 9.954 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.381 8.510 8.511 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.385 8.331 7.373 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.657 8.768 9.835 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.564 7.065 7.474 1.00 0.42 C ATOM 0 H ILE A 90 -9.805 8.709 8.262 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.085 6.583 7.779 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.996 9.389 8.317 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -6.926 8.328 6.427 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.712 9.189 7.353 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -6.009 9.639 9.732 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.390 8.952 10.621 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -6.055 7.897 10.096 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.878 7.008 6.629 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.995 7.074 8.403 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.227 6.200 7.463 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.813 6.957 10.936 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.592 6.420 12.273 1.00 0.31 C ATOM 1470 C GLN A 91 -8.876 4.928 12.314 1.00 0.31 C ATOM 1471 O GLN A 91 -8.003 4.126 12.673 1.00 0.32 O ATOM 1472 CB GLN A 91 -9.455 7.164 13.284 1.00 0.39 C ATOM 1473 CG GLN A 91 -9.034 8.610 13.479 1.00 0.45 C ATOM 1474 CD GLN A 91 -7.758 8.741 14.288 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -6.876 7.885 14.231 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -7.659 9.806 15.063 1.00 2.10 N ATOM 0 H GLN A 91 -9.537 7.674 10.883 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.544 6.565 12.535 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -10.494 7.136 12.956 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -9.409 6.646 14.242 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -8.892 9.078 12.505 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -9.835 9.154 13.980 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -8.412 10.494 15.083 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -6.830 9.940 15.641 1.00 2.10 H new ATOM 1485 N GLU A 92 -10.080 4.556 11.917 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.458 3.156 11.877 1.00 0.42 C ATOM 1487 C GLU A 92 -9.560 2.385 10.925 1.00 0.34 C ATOM 1488 O GLU A 92 -9.081 1.316 11.269 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.928 2.955 11.494 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.557 4.099 10.719 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.880 5.296 11.590 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.866 5.229 12.350 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -12.156 6.309 11.507 1.00 1.52 O ATOM 0 H GLU A 92 -10.810 5.202 11.619 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.330 2.768 12.887 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -12.011 2.046 10.899 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.505 2.794 12.404 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.879 4.408 9.923 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.471 3.747 10.240 1.00 0.64 H new ATOM 1500 N SER A 93 -9.307 2.936 9.743 1.00 0.32 N ATOM 1501 CA SER A 93 -8.471 2.244 8.765 1.00 0.27 C ATOM 1502 C SER A 93 -7.067 1.926 9.309 1.00 0.21 C ATOM 1503 O SER A 93 -6.594 0.800 9.166 1.00 0.22 O ATOM 1504 CB SER A 93 -8.383 3.045 7.465 1.00 0.33 C ATOM 1505 OG SER A 93 -8.001 4.383 7.704 1.00 0.98 O ATOM 0 H SER A 93 -9.661 3.844 9.441 1.00 0.32 H new ATOM 0 HA SER A 93 -8.952 1.288 8.556 1.00 0.27 H new ATOM 0 HB2 SER A 93 -7.663 2.575 6.795 1.00 0.33 H new ATOM 0 HB3 SER A 93 -9.348 3.026 6.959 1.00 0.33 H new ATOM 0 HG SER A 93 -7.702 4.477 8.632 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.410 2.894 9.962 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.044 2.675 10.459 1.00 0.21 C ATOM 1513 C LYS A 94 -5.026 1.692 11.626 1.00 0.25 C ATOM 1514 O LYS A 94 -4.030 1.000 11.839 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.350 3.988 10.858 1.00 0.23 C ATOM 1516 CG LYS A 94 -5.115 4.816 11.869 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.377 6.094 12.239 1.00 0.43 C ATOM 1518 CE LYS A 94 -3.042 5.796 12.898 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.355 7.036 13.343 1.00 1.25 N ATOM 0 H LYS A 94 -6.792 3.819 10.156 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.482 2.242 9.631 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.366 3.756 11.266 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.190 4.587 9.962 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -6.095 5.068 11.463 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.285 4.223 12.768 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -4.216 6.694 11.344 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.993 6.688 12.914 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.198 5.140 13.754 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.403 5.258 12.197 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.448 6.790 13.788 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -2.183 7.651 12.522 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.953 7.536 14.031 1.00 1.25 H new ATOM 1533 N GLU A 95 -6.118 1.622 12.384 1.00 0.30 N ATOM 1534 CA GLU A 95 -6.205 0.649 13.471 1.00 0.44 C ATOM 1535 C GLU A 95 -6.817 -0.668 12.987 1.00 0.51 C ATOM 1536 O GLU A 95 -7.021 -1.595 13.774 1.00 0.66 O ATOM 1537 CB GLU A 95 -7.002 1.210 14.652 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.454 1.535 14.338 1.00 0.44 C ATOM 1539 CD GLU A 95 -9.195 2.106 15.529 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -9.587 1.325 16.424 1.00 0.67 O ATOM 1541 OE2 GLU A 95 -9.393 3.339 15.580 1.00 0.85 O ATOM 0 H GLU A 95 -6.940 2.215 12.270 1.00 0.30 H new ATOM 0 HA GLU A 95 -5.190 0.446 13.812 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.973 0.488 15.468 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.510 2.115 15.009 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.493 2.248 13.515 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.960 0.631 14.000 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.083 -0.753 11.689 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.753 -1.910 11.109 1.00 0.64 C ATOM 1550 C LEU A 96 -6.841 -2.674 10.157 1.00 0.93 C ATOM 1551 O LEU A 96 -7.198 -2.930 9.009 1.00 1.73 O ATOM 1552 CB LEU A 96 -9.011 -1.461 10.369 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.343 -1.864 11.014 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.307 -1.657 12.521 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.480 -1.056 10.416 1.00 0.40 C ATOM 0 H LEU A 96 -6.842 -0.028 11.013 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.022 -2.582 11.924 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.987 -0.375 10.276 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.980 -1.868 9.358 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.506 -2.923 10.814 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.264 -1.951 12.952 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.513 -2.266 12.953 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.118 -0.606 12.739 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.420 -1.351 10.882 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.305 0.005 10.593 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.533 -1.241 9.343 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.657 -3.030 10.631 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.792 -3.900 9.858 1.00 0.69 C ATOM 1569 C GLY A 97 -3.843 -3.143 8.966 1.00 0.61 C ATOM 1570 O GLY A 97 -2.994 -3.725 8.283 1.00 0.88 O ATOM 0 H GLY A 97 -5.280 -2.735 11.532 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.219 -4.531 10.538 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.405 -4.564 9.248 1.00 0.69 H new ATOM 1574 N ALA A 98 -3.994 -1.851 8.966 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.138 -0.990 8.185 1.00 0.27 C ATOM 1576 C ALA A 98 -1.849 -0.683 8.925 1.00 0.19 C ATOM 1577 O ALA A 98 -1.853 -0.395 10.122 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.860 0.295 7.829 1.00 0.26 C ATOM 0 H ALA A 98 -4.709 -1.361 9.503 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.883 -1.516 7.265 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.200 0.932 7.240 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.752 0.062 7.248 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.147 0.816 8.742 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.746 -0.773 8.203 1.00 0.18 N ATOM 1585 CA LEU A 99 0.537 -0.337 8.714 1.00 0.23 C ATOM 1586 C LEU A 99 0.490 1.144 9.038 1.00 0.26 C ATOM 1587 O LEU A 99 0.858 1.553 10.139 1.00 0.39 O ATOM 1588 CB LEU A 99 1.662 -0.599 7.705 1.00 0.51 C ATOM 1589 CG LEU A 99 2.034 -2.051 7.488 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.241 -2.126 6.563 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.323 -2.730 8.818 1.00 1.26 C ATOM 0 H LEU A 99 -0.716 -1.147 7.255 1.00 0.18 H new ATOM 0 HA LEU A 99 0.745 -0.909 9.618 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.369 -0.172 6.746 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.551 -0.062 8.035 1.00 0.51 H new ATOM 0 HG LEU A 99 1.199 -2.575 7.023 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.513 -3.169 6.404 1.00 1.27 H new ATOM 0 HD12 LEU A 99 2.996 -1.665 5.606 1.00 1.27 H new ATOM 0 HD13 LEU A 99 4.080 -1.598 7.016 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.589 -3.773 8.644 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.151 -2.222 9.313 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.437 -2.682 9.451 1.00 1.26 H new ATOM 1603 N THR A 100 0.012 1.951 8.092 1.00 0.23 N ATOM 1604 CA THR A 100 0.005 3.392 8.301 1.00 0.28 C ATOM 1605 C THR A 100 -0.731 4.130 7.185 1.00 0.24 C ATOM 1606 O THR A 100 -1.226 3.522 6.236 1.00 0.25 O ATOM 1607 CB THR A 100 1.448 3.940 8.419 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.430 5.294 8.895 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.169 3.881 7.077 1.00 0.34 C ATOM 0 H THR A 100 -0.366 1.640 7.197 1.00 0.23 H new ATOM 0 HA THR A 100 -0.528 3.570 9.235 1.00 0.28 H new ATOM 0 HB THR A 100 1.985 3.313 9.131 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.349 5.628 8.967 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.180 4.272 7.190 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.216 2.847 6.734 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.627 4.481 6.346 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.812 5.444 7.331 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.407 6.300 6.320 1.00 0.28 C ATOM 1619 C HIS A 101 -0.329 6.967 5.466 1.00 0.27 C ATOM 1620 O HIS A 101 0.806 7.158 5.907 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.295 7.376 6.965 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.547 8.415 7.752 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.392 9.715 7.321 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -0.918 8.345 8.951 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.702 10.394 8.216 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.401 9.588 9.214 1.00 0.92 N ATOM 0 H HIS A 101 -0.468 5.944 8.151 1.00 0.29 H new ATOM 0 HA HIS A 101 -2.025 5.671 5.679 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.867 7.874 6.182 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -3.014 6.888 7.623 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -0.839 7.472 9.582 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.429 11.436 8.143 1.00 0.93 H new ATOM 0 HE2 HIS A 101 0.130 9.846 10.046 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.706 7.307 4.249 1.00 0.25 N ATOM 1636 CA PHE A 102 0.137 8.062 3.339 1.00 0.24 C ATOM 1637 C PHE A 102 -0.728 9.108 2.654 1.00 0.20 C ATOM 1638 O PHE A 102 -1.769 9.501 3.184 1.00 0.21 O ATOM 1639 CB PHE A 102 0.788 7.135 2.309 1.00 0.30 C ATOM 1640 CG PHE A 102 2.223 7.479 2.009 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.541 8.457 1.081 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.254 6.820 2.659 1.00 0.85 C ATOM 1643 CE1 PHE A 102 3.857 8.773 0.806 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.574 7.132 2.387 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.875 8.109 1.459 1.00 1.29 C ATOM 0 H PHE A 102 -1.617 7.065 3.859 1.00 0.25 H new ATOM 0 HA PHE A 102 0.942 8.548 3.891 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.738 6.109 2.673 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.213 7.173 1.384 1.00 0.30 H new ATOM 0 HD1 PHE A 102 1.749 8.980 0.565 1.00 0.99 H new ATOM 0 HD2 PHE A 102 3.025 6.055 3.386 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.089 9.539 0.081 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.369 6.611 2.900 1.00 1.13 H new ATOM 0 HZ PHE A 102 5.905 8.353 1.245 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.327 9.546 1.482 1.00 0.22 N ATOM 1656 CA ALA A 103 -1.029 10.614 0.809 1.00 0.23 C ATOM 1657 C ALA A 103 -1.147 10.338 -0.685 1.00 0.31 C ATOM 1658 O ALA A 103 -0.217 9.832 -1.293 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.308 11.932 1.077 1.00 0.34 C ATOM 0 H ALA A 103 0.480 9.180 0.976 1.00 0.22 H new ATOM 0 HA ALA A 103 -2.045 10.680 1.200 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.833 12.743 0.572 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.289 12.125 2.150 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.713 11.871 0.701 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.317 10.629 -1.247 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.519 10.620 -2.693 1.00 0.33 C ATOM 1667 C LYS A 104 -1.498 11.538 -3.391 1.00 0.40 C ATOM 1668 O LYS A 104 -0.999 11.209 -4.465 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.956 11.052 -3.017 1.00 0.32 C ATOM 1670 CG LYS A 104 -4.219 11.316 -4.492 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.949 10.095 -5.353 1.00 0.93 C ATOM 1672 CE LYS A 104 -4.189 10.400 -6.822 1.00 1.15 C ATOM 1673 NZ LYS A 104 -3.336 11.519 -7.311 1.00 2.18 N ATOM 0 H LYS A 104 -3.150 10.877 -0.714 1.00 0.26 H new ATOM 0 HA LYS A 104 -2.365 9.608 -3.067 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.641 10.278 -2.672 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -4.186 11.956 -2.453 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -5.255 11.629 -4.624 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -3.591 12.141 -4.829 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -2.920 9.765 -5.210 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -4.593 9.274 -5.038 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.989 9.507 -7.414 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -5.239 10.653 -6.972 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -3.325 11.519 -8.351 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -3.720 12.423 -6.969 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -2.366 11.398 -6.955 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.225 12.739 -2.829 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.074 13.561 -3.223 1.00 0.50 C ATOM 1689 C PRO A 105 1.234 12.747 -3.254 1.00 0.66 C ATOM 1690 O PRO A 105 1.795 12.517 -4.328 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.028 14.662 -2.133 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.021 14.231 -1.096 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.042 13.435 -1.832 1.00 0.35 C ATOM 0 HA PRO A 105 -0.174 13.962 -4.232 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.971 14.753 -1.707 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.288 15.636 -2.546 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -0.543 13.634 -0.319 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -1.474 15.092 -0.604 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.567 12.739 -1.177 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -2.798 14.069 -2.295 1.00 0.35 H new ATOM 1701 N PHE A 106 1.681 12.313 -2.065 1.00 0.50 N ATOM 1702 CA PHE A 106 2.877 11.459 -1.865 1.00 0.65 C ATOM 1703 C PHE A 106 4.128 11.885 -2.646 1.00 0.35 C ATOM 1704 O PHE A 106 4.168 12.915 -3.325 1.00 0.68 O ATOM 1705 CB PHE A 106 2.584 9.961 -2.139 1.00 1.19 C ATOM 1706 CG PHE A 106 2.313 9.572 -3.577 1.00 2.49 C ATOM 1707 CD1 PHE A 106 3.322 9.594 -4.531 1.00 3.00 C ATOM 1708 CD2 PHE A 106 1.052 9.153 -3.962 1.00 3.26 C ATOM 1709 CE1 PHE A 106 3.074 9.213 -5.836 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.796 8.774 -5.266 1.00 4.50 C ATOM 1711 CZ PHE A 106 1.808 8.805 -6.204 1.00 4.99 C ATOM 0 H PHE A 106 1.213 12.549 -1.190 1.00 0.50 H new ATOM 0 HA PHE A 106 3.109 11.604 -0.810 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.433 9.378 -1.783 1.00 1.19 H new ATOM 0 HB3 PHE A 106 1.722 9.668 -1.539 1.00 1.19 H new ATOM 0 HD1 PHE A 106 4.314 9.913 -4.249 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.256 9.122 -3.233 1.00 3.26 H new ATOM 0 HE1 PHE A 106 3.869 9.234 -6.566 1.00 4.24 H new ATOM 0 HE2 PHE A 106 -0.195 8.454 -5.551 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.610 8.511 -7.224 1.00 4.99 H new ATOM 1721 N ASP A 107 5.169 11.078 -2.468 1.00 0.40 N ATOM 1722 CA ASP A 107 6.387 11.141 -3.255 1.00 0.37 C ATOM 1723 C ASP A 107 6.715 9.737 -3.726 1.00 0.47 C ATOM 1724 O ASP A 107 6.589 8.788 -2.959 1.00 0.66 O ATOM 1725 CB ASP A 107 7.546 11.691 -2.425 1.00 0.45 C ATOM 1726 CG ASP A 107 7.455 13.184 -2.201 1.00 1.16 C ATOM 1727 OD1 ASP A 107 7.971 13.946 -3.045 1.00 1.67 O ATOM 1728 OD2 ASP A 107 6.871 13.605 -1.183 1.00 1.63 O ATOM 0 H ASP A 107 5.186 10.348 -1.756 1.00 0.40 H new ATOM 0 HA ASP A 107 6.238 11.808 -4.104 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.567 11.185 -1.460 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.486 11.461 -2.926 1.00 0.45 H new ATOM 1733 N ILE A 108 7.120 9.596 -4.978 1.00 0.48 N ATOM 1734 CA ILE A 108 7.373 8.276 -5.548 1.00 0.58 C ATOM 1735 C ILE A 108 8.550 7.600 -4.852 1.00 0.50 C ATOM 1736 O ILE A 108 8.429 6.499 -4.315 1.00 0.44 O ATOM 1737 CB ILE A 108 7.649 8.359 -7.062 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.423 8.931 -7.788 1.00 0.70 C ATOM 1739 CG2 ILE A 108 8.016 6.993 -7.614 1.00 1.04 C ATOM 1740 CD1 ILE A 108 6.509 8.859 -9.300 1.00 1.13 C ATOM 0 H ILE A 108 7.281 10.373 -5.619 1.00 0.48 H new ATOM 0 HA ILE A 108 6.474 7.680 -5.391 1.00 0.58 H new ATOM 0 HB ILE A 108 8.494 9.026 -7.230 1.00 0.75 H new ATOM 0 HG12 ILE A 108 5.535 8.391 -7.459 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.291 9.972 -7.492 1.00 0.70 H new ATOM 0 HG21 ILE A 108 8.207 7.072 -8.684 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.911 6.626 -7.112 1.00 1.04 H new ATOM 0 HG23 ILE A 108 7.194 6.298 -7.443 1.00 1.04 H new ATOM 0 HD11 ILE A 108 5.605 9.283 -9.736 1.00 1.13 H new ATOM 0 HD12 ILE A 108 7.376 9.424 -9.642 1.00 1.13 H new ATOM 0 HD13 ILE A 108 6.608 7.819 -9.610 1.00 1.13 H new ATOM 1752 N ASP A 109 9.678 8.279 -4.841 1.00 0.49 N ATOM 1753 CA ASP A 109 10.873 7.777 -4.180 1.00 0.42 C ATOM 1754 C ASP A 109 10.589 7.487 -2.714 1.00 0.34 C ATOM 1755 O ASP A 109 11.126 6.543 -2.145 1.00 0.30 O ATOM 1756 CB ASP A 109 11.990 8.806 -4.326 1.00 0.46 C ATOM 1757 CG ASP A 109 13.274 8.413 -3.616 1.00 0.98 C ATOM 1758 OD1 ASP A 109 14.089 7.681 -4.218 1.00 1.88 O ATOM 1759 OD2 ASP A 109 13.457 8.807 -2.447 1.00 0.89 O ATOM 0 H ASP A 109 9.796 9.189 -5.286 1.00 0.49 H new ATOM 0 HA ASP A 109 11.184 6.842 -4.647 1.00 0.42 H new ATOM 0 HB2 ASP A 109 12.201 8.954 -5.385 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.645 9.763 -3.933 1.00 0.46 H new ATOM 1764 N GLU A 110 9.688 8.260 -2.127 1.00 0.35 N ATOM 1765 CA GLU A 110 9.359 8.086 -0.727 1.00 0.35 C ATOM 1766 C GLU A 110 8.360 6.948 -0.544 1.00 0.33 C ATOM 1767 O GLU A 110 8.323 6.322 0.508 1.00 0.34 O ATOM 1768 CB GLU A 110 8.813 9.389 -0.142 1.00 0.49 C ATOM 1769 CG GLU A 110 8.618 9.342 1.364 1.00 0.62 C ATOM 1770 CD GLU A 110 8.334 10.700 1.966 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.246 11.552 1.986 1.00 1.71 O ATOM 1772 OE2 GLU A 110 7.185 10.932 2.396 1.00 1.68 O ATOM 0 H GLU A 110 9.177 9.007 -2.597 1.00 0.35 H new ATOM 0 HA GLU A 110 10.270 7.824 -0.189 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.496 10.202 -0.387 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.859 9.620 -0.617 1.00 0.49 H new ATOM 0 HG2 GLU A 110 7.794 8.668 1.597 1.00 0.62 H new ATOM 0 HG3 GLU A 110 9.512 8.925 1.828 1.00 0.62 H new ATOM 1779 N ILE A 111 7.573 6.653 -1.574 1.00 0.34 N ATOM 1780 CA ILE A 111 6.589 5.584 -1.472 1.00 0.33 C ATOM 1781 C ILE A 111 7.301 4.234 -1.506 1.00 0.28 C ATOM 1782 O ILE A 111 7.006 3.348 -0.704 1.00 0.27 O ATOM 1783 CB ILE A 111 5.490 5.673 -2.569 1.00 0.36 C ATOM 1784 CG1 ILE A 111 4.231 4.962 -2.089 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.933 5.087 -3.904 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.371 5.801 -1.171 1.00 1.06 C ATOM 0 H ILE A 111 7.597 7.131 -2.475 1.00 0.34 H new ATOM 0 HA ILE A 111 6.069 5.695 -0.520 1.00 0.33 H new ATOM 0 HB ILE A 111 5.291 6.731 -2.737 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.640 4.665 -2.955 1.00 0.61 H new ATOM 0 HG13 ILE A 111 4.517 4.047 -1.569 1.00 0.61 H new ATOM 0 HG21 ILE A 111 5.123 5.179 -4.628 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.807 5.628 -4.267 1.00 0.69 H new ATOM 0 HG23 ILE A 111 6.186 4.035 -3.774 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.493 5.229 -0.871 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.945 6.077 -0.286 1.00 1.06 H new ATOM 0 HD13 ILE A 111 3.054 6.704 -1.694 1.00 1.06 H new ATOM 1798 N ARG A 112 8.283 4.104 -2.396 1.00 0.27 N ATOM 1799 CA ARG A 112 9.071 2.883 -2.482 1.00 0.24 C ATOM 1800 C ARG A 112 10.001 2.764 -1.277 1.00 0.22 C ATOM 1801 O ARG A 112 10.162 1.683 -0.703 1.00 0.22 O ATOM 1802 CB ARG A 112 9.859 2.832 -3.797 1.00 0.23 C ATOM 1803 CG ARG A 112 10.691 4.074 -4.079 1.00 0.23 C ATOM 1804 CD ARG A 112 11.381 3.980 -5.431 1.00 0.23 C ATOM 1805 NE ARG A 112 11.984 5.242 -5.852 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.101 5.329 -6.579 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.796 4.238 -6.883 1.00 1.16 N ATOM 1808 NH2 ARG A 112 13.533 6.515 -6.985 1.00 1.39 N ATOM 0 H ARG A 112 8.549 4.828 -3.064 1.00 0.27 H new ATOM 0 HA ARG A 112 8.390 2.032 -2.471 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.518 1.964 -3.778 1.00 0.23 H new ATOM 0 HB3 ARG A 112 9.160 2.683 -4.620 1.00 0.23 H new ATOM 0 HG2 ARG A 112 10.051 4.956 -4.055 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.438 4.200 -3.295 1.00 0.23 H new ATOM 0 HD2 ARG A 112 12.153 3.212 -5.386 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.657 3.661 -6.181 1.00 0.23 H new ATOM 0 HE ARG A 112 11.524 6.109 -5.574 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.478 3.324 -6.561 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.648 4.314 -7.439 1.00 1.16 H new ATOM 0 HH21 ARG A 112 13.013 7.358 -6.742 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.386 6.584 -7.540 1.00 1.39 H new ATOM 1822 N ASP A 113 10.580 3.891 -0.877 1.00 0.23 N ATOM 1823 CA ASP A 113 11.475 3.927 0.273 1.00 0.24 C ATOM 1824 C ASP A 113 10.730 3.554 1.558 1.00 0.25 C ATOM 1825 O ASP A 113 11.188 2.718 2.352 1.00 0.26 O ATOM 1826 CB ASP A 113 12.088 5.320 0.405 1.00 0.28 C ATOM 1827 CG ASP A 113 13.096 5.416 1.533 1.00 0.39 C ATOM 1828 OD1 ASP A 113 14.240 4.955 1.356 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.747 5.949 2.607 1.00 0.43 O ATOM 0 H ASP A 113 10.445 4.793 -1.333 1.00 0.23 H new ATOM 0 HA ASP A 113 12.269 3.196 0.118 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.574 5.588 -0.533 1.00 0.28 H new ATOM 0 HB3 ASP A 113 11.293 6.047 0.572 1.00 0.28 H new ATOM 1834 N ALA A 114 9.569 4.165 1.750 1.00 0.26 N ATOM 1835 CA ALA A 114 8.761 3.898 2.926 1.00 0.28 C ATOM 1836 C ALA A 114 8.378 2.430 2.991 1.00 0.28 C ATOM 1837 O ALA A 114 8.634 1.766 3.992 1.00 0.32 O ATOM 1838 CB ALA A 114 7.514 4.768 2.943 1.00 0.35 C ATOM 0 H ALA A 114 9.168 4.847 1.106 1.00 0.26 H new ATOM 0 HA ALA A 114 9.359 4.142 3.804 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.928 4.546 3.835 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.804 5.819 2.951 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.915 4.563 2.055 1.00 0.35 H new ATOM 1844 N VAL A 115 7.797 1.907 1.915 1.00 0.27 N ATOM 1845 CA VAL A 115 7.302 0.539 1.943 1.00 0.29 C ATOM 1846 C VAL A 115 8.430 -0.483 2.048 1.00 0.30 C ATOM 1847 O VAL A 115 8.198 -1.580 2.537 1.00 0.35 O ATOM 1848 CB VAL A 115 6.399 0.192 0.746 1.00 0.34 C ATOM 1849 CG1 VAL A 115 5.223 1.150 0.685 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.184 0.197 -0.556 1.00 0.33 C ATOM 0 H VAL A 115 7.660 2.399 1.032 1.00 0.27 H new ATOM 0 HA VAL A 115 6.692 0.483 2.845 1.00 0.29 H new ATOM 0 HB VAL A 115 6.013 -0.818 0.886 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.590 0.896 -0.165 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.643 1.073 1.605 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.590 2.170 0.572 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.519 -0.052 -1.383 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.612 1.186 -0.719 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.985 -0.540 -0.501 1.00 0.33 H new ATOM 1860 N LYS A 116 9.648 -0.146 1.601 1.00 0.29 N ATOM 1861 CA LYS A 116 10.769 -1.074 1.768 1.00 0.33 C ATOM 1862 C LYS A 116 11.125 -1.181 3.244 1.00 0.32 C ATOM 1863 O LYS A 116 11.578 -2.223 3.711 1.00 0.40 O ATOM 1864 CB LYS A 116 12.018 -0.665 0.967 1.00 0.44 C ATOM 1865 CG LYS A 116 12.797 0.492 1.574 1.00 0.50 C ATOM 1866 CD LYS A 116 14.032 0.829 0.757 1.00 0.70 C ATOM 1867 CE LYS A 116 15.145 1.396 1.622 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.719 2.613 2.359 1.00 1.48 N ATOM 0 H LYS A 116 9.876 0.733 1.136 1.00 0.29 H new ATOM 0 HA LYS A 116 10.443 -2.038 1.378 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.679 -1.527 0.880 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.715 -0.393 -0.044 1.00 0.44 H new ATOM 0 HG2 LYS A 116 12.153 1.369 1.639 1.00 0.50 H new ATOM 0 HG3 LYS A 116 13.093 0.237 2.592 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.387 -0.068 0.249 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.770 1.551 -0.017 1.00 0.70 H new ATOM 0 HE2 LYS A 116 15.471 0.638 2.334 1.00 0.97 H new ATOM 0 HE3 LYS A 116 16.004 1.635 0.995 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 15.229 2.668 3.263 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 14.933 3.456 1.789 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 13.696 2.568 2.541 1.00 1.48 H new ATOM 1882 N LYS A 117 10.940 -0.082 3.966 1.00 0.28 N ATOM 1883 CA LYS A 117 11.189 -0.063 5.399 1.00 0.31 C ATOM 1884 C LYS A 117 10.021 -0.652 6.189 1.00 0.33 C ATOM 1885 O LYS A 117 10.183 -1.065 7.339 1.00 0.46 O ATOM 1886 CB LYS A 117 11.471 1.366 5.842 1.00 0.39 C ATOM 1887 CG LYS A 117 12.854 1.837 5.437 1.00 0.55 C ATOM 1888 CD LYS A 117 13.923 1.081 6.209 1.00 1.00 C ATOM 1889 CE LYS A 117 13.827 1.358 7.700 1.00 1.77 C ATOM 1890 NZ LYS A 117 14.618 0.391 8.505 1.00 2.58 N ATOM 0 H LYS A 117 10.619 0.806 3.581 1.00 0.28 H new ATOM 0 HA LYS A 117 12.058 -0.688 5.604 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.723 2.031 5.410 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.370 1.434 6.925 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.996 1.687 4.367 1.00 0.55 H new ATOM 0 HG3 LYS A 117 12.950 2.906 5.625 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.817 0.011 6.028 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.909 1.370 5.846 1.00 1.00 H new ATOM 0 HE2 LYS A 117 14.179 2.370 7.903 1.00 1.77 H new ATOM 0 HE3 LYS A 117 12.782 1.316 8.009 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 14.522 0.620 9.515 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 14.267 -0.573 8.333 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 15.620 0.448 8.231 1.00 2.58 H new ATOM 1904 N TYR A 118 8.852 -0.682 5.570 1.00 0.29 N ATOM 1905 CA TYR A 118 7.656 -1.225 6.204 1.00 0.37 C ATOM 1906 C TYR A 118 7.492 -2.706 5.915 1.00 0.39 C ATOM 1907 O TYR A 118 7.499 -3.527 6.828 1.00 0.50 O ATOM 1908 CB TYR A 118 6.427 -0.460 5.748 1.00 0.41 C ATOM 1909 CG TYR A 118 6.169 0.796 6.557 1.00 0.48 C ATOM 1910 CD1 TYR A 118 6.948 1.934 6.384 1.00 0.54 C ATOM 1911 CD2 TYR A 118 5.154 0.840 7.504 1.00 0.63 C ATOM 1912 CE1 TYR A 118 6.725 3.075 7.130 1.00 0.63 C ATOM 1913 CE2 TYR A 118 4.922 1.979 8.252 1.00 0.71 C ATOM 1914 CZ TYR A 118 5.710 3.093 8.062 1.00 0.67 C ATOM 1915 OH TYR A 118 5.484 4.227 8.808 1.00 0.77 O ATOM 0 H TYR A 118 8.703 -0.335 4.623 1.00 0.29 H new ATOM 0 HA TYR A 118 7.770 -1.109 7.282 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.544 -0.190 4.698 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.556 -1.112 5.814 1.00 0.41 H new ATOM 0 HD1 TYR A 118 7.743 1.926 5.653 1.00 0.54 H new ATOM 0 HD2 TYR A 118 4.535 -0.031 7.659 1.00 0.63 H new ATOM 0 HE1 TYR A 118 7.343 3.949 6.984 1.00 0.63 H new ATOM 0 HE2 TYR A 118 4.126 1.996 8.982 1.00 0.71 H new ATOM 0 HH TYR A 118 4.732 4.073 9.417 1.00 0.77 H new ATOM 1925 N LEU A 119 7.323 -3.032 4.646 1.00 0.33 N ATOM 1926 CA LEU A 119 7.314 -4.417 4.207 1.00 0.36 C ATOM 1927 C LEU A 119 8.661 -4.700 3.564 1.00 0.39 C ATOM 1928 O LEU A 119 8.873 -4.408 2.388 1.00 0.40 O ATOM 1929 CB LEU A 119 6.194 -4.682 3.189 1.00 0.37 C ATOM 1930 CG LEU A 119 5.799 -6.157 2.966 1.00 0.59 C ATOM 1931 CD1 LEU A 119 5.520 -6.405 1.494 1.00 1.15 C ATOM 1932 CD2 LEU A 119 6.864 -7.128 3.466 1.00 1.37 C ATOM 0 H LEU A 119 7.189 -2.352 3.897 1.00 0.33 H new ATOM 0 HA LEU A 119 7.135 -5.067 5.064 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.306 -4.136 3.509 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.498 -4.262 2.230 1.00 0.37 H new ATOM 0 HG LEU A 119 4.896 -6.340 3.549 1.00 0.59 H new ATOM 0 HD11 LEU A 119 5.242 -7.449 1.347 1.00 1.15 H new ATOM 0 HD12 LEU A 119 4.703 -5.762 1.165 1.00 1.15 H new ATOM 0 HD13 LEU A 119 6.414 -6.182 0.912 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.537 -8.152 3.285 1.00 1.37 H new ATOM 0 HD22 LEU A 119 7.799 -6.947 2.936 1.00 1.37 H new ATOM 0 HD23 LEU A 119 7.018 -6.980 4.535 1.00 1.37 H new ATOM 1944 N PRO A 120 9.595 -5.251 4.328 1.00 0.48 N ATOM 1945 CA PRO A 120 10.929 -5.494 3.869 1.00 0.56 C ATOM 1946 C PRO A 120 11.145 -6.892 3.312 1.00 0.53 C ATOM 1947 O PRO A 120 10.778 -7.908 3.912 1.00 0.61 O ATOM 1948 CB PRO A 120 11.764 -5.250 5.121 1.00 0.68 C ATOM 1949 CG PRO A 120 10.790 -5.143 6.255 1.00 0.67 C ATOM 1950 CD PRO A 120 9.475 -5.631 5.718 1.00 0.55 C ATOM 0 HA PRO A 120 11.192 -4.854 3.027 1.00 0.56 H new ATOM 0 HB2 PRO A 120 12.467 -6.067 5.286 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.353 -4.338 5.025 1.00 0.68 H new ATOM 0 HG2 PRO A 120 11.112 -5.745 7.104 1.00 0.67 H new ATOM 0 HG3 PRO A 120 10.711 -4.114 6.606 1.00 0.67 H new ATOM 0 HD2 PRO A 120 9.350 -6.707 5.844 1.00 0.55 H new ATOM 0 HD3 PRO A 120 8.626 -5.153 6.206 1.00 0.55 H new ATOM 1958 N LEU A 121 11.756 -6.902 2.150 1.00 0.57 N ATOM 1959 CA LEU A 121 12.096 -8.115 1.422 1.00 0.49 C ATOM 1960 C LEU A 121 13.262 -7.815 0.492 1.00 0.53 C ATOM 1961 O LEU A 121 14.160 -8.635 0.313 1.00 0.56 O ATOM 1962 CB LEU A 121 10.901 -8.667 0.620 1.00 0.50 C ATOM 1963 CG LEU A 121 10.190 -7.681 -0.310 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.618 -8.404 -1.521 1.00 1.11 C ATOM 1965 CD2 LEU A 121 9.075 -6.965 0.435 1.00 1.31 C ATOM 0 H LEU A 121 12.040 -6.049 1.668 1.00 0.57 H new ATOM 0 HA LEU A 121 12.373 -8.884 2.143 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.251 -9.509 0.022 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.169 -9.060 1.325 1.00 0.50 H new ATOM 0 HG LEU A 121 10.920 -6.947 -0.652 1.00 0.69 H new ATOM 0 HD11 LEU A 121 9.117 -7.686 -2.170 1.00 1.11 H new ATOM 0 HD12 LEU A 121 10.425 -8.888 -2.071 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.902 -9.157 -1.191 1.00 1.11 H new ATOM 0 HD21 LEU A 121 8.578 -6.267 -0.238 1.00 1.31 H new ATOM 0 HD22 LEU A 121 8.352 -7.696 0.798 1.00 1.31 H new ATOM 0 HD23 LEU A 121 9.494 -6.418 1.280 1.00 1.31 H new