USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1070 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 146 SER OG : rot 180:sc= -0.103 USER MOD Set 1.2: A 147 GLN : amide:sc= -0.44 K(o=-0.54,f=0.42) USER MOD Set 2.1: A 109 MET CE :methyl 160:sc= -0.386 (180deg=-1.16) USER MOD Set 2.2: A 148 LYS NZ :NH3+ 163:sc= -0.0269 (180deg=-0.228) USER MOD Set 3.1: A 41 GLN : amide:sc= -3.19! C(o=-4.2!,f=-8.1!) USER MOD Set 3.2: A 72 MET CE :methyl -133:sc= -0.987 (180deg=-0.426) USER MOD Set 3.3: A 76 MET CE :methyl -153:sc= 0 (180deg=-0.245) USER MOD Set 4.1: A 58 ASN : amide:sc= -0.73 K(o=-0.92,f=-3.8) USER MOD Set 4.2: A 59 ASN : amide:sc= -0.19 K(o=-0.92,f=-1.6) USER MOD Set 5.1: A 36 MET CE :methyl 157:sc= -0.902 (180deg=-0.299) USER MOD Set 5.2: A 75 GLN : amide:sc= -1.47 X(o=-2.4,f=-2.6!) USER MOD Set 6.1: A 24 THR OG1 : rot 169:sc= 0.105 USER MOD Set 6.2: A 62 GLN : amide:sc= -11.9! K(o=-12!,f=-2.4) USER MOD Set 7.1: A 5 THR OG1 : rot 81:sc= 1.03 USER MOD Set 7.2: A 8 GLN : amide:sc= 0.905 X(o=1.9,f=2.3) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0756) USER MOD Single : A 18 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.099 (180deg=-0.509) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -21:sc= 0.579 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 2:sc= 0.503 USER MOD Single : A 42 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.074) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.72) USER MOD Single : A 57 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.024) USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.05) USER MOD Single : A 64 ASN : amide:sc= -1.03 K(o=-1,f=-5.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 69 CYS SG : rot 63:sc= -0.327 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 158:sc= -2.69 (180deg=-3.8) USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= -1.32 (180deg=-1.63) USER MOD Single : A 101 SER OG : rot -68:sc= 0.154 USER MOD Single : A 111 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.47) USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 0.332 (180deg=0.249) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 124 MET CE :methyl 151:sc= -0.333 (180deg=-3.53) USER MOD Single : A 135 MET CE :methyl -108:sc= -0.139 (180deg=-1.62) USER MOD Single : A 137 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.12) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -166:sc= -4.57! (180deg=-4.82!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 4 -0.986 8.042 2.629 1.00 0.73 N ATOM 28 CA LEU A 4 -2.196 8.421 3.353 1.00 0.45 C ATOM 29 C LEU A 4 -1.918 9.592 4.292 1.00 0.47 C ATOM 30 O LEU A 4 -1.407 9.408 5.397 1.00 0.58 O ATOM 31 CB LEU A 4 -2.745 7.235 4.149 1.00 0.41 C ATOM 32 CG LEU A 4 -2.769 5.894 3.407 1.00 0.50 C ATOM 33 CD1 LEU A 4 -3.276 4.787 4.320 1.00 1.27 C ATOM 34 CD2 LEU A 4 -3.631 5.985 2.157 1.00 1.19 C ATOM 0 HA LEU A 4 -2.943 8.727 2.621 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -2.147 7.119 5.053 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -3.760 7.472 4.467 1.00 0.41 H new ATOM 0 HG LEU A 4 -1.749 5.655 3.105 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -3.286 3.843 3.776 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -2.619 4.700 5.186 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -4.286 5.024 4.653 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -3.634 5.022 1.646 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -4.651 6.250 2.437 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -3.227 6.748 1.491 1.00 1.19 H new ATOM 46 N THR A 5 -2.258 10.795 3.840 1.00 0.47 N ATOM 47 CA THR A 5 -2.046 12.002 4.629 1.00 0.54 C ATOM 48 C THR A 5 -3.208 12.233 5.592 1.00 0.51 C ATOM 49 O THR A 5 -4.186 11.492 5.576 1.00 0.55 O ATOM 50 CB THR A 5 -1.888 13.236 3.718 1.00 0.62 C ATOM 51 OG1 THR A 5 -1.332 12.842 2.457 1.00 1.12 O ATOM 52 CG2 THR A 5 -0.987 14.282 4.357 1.00 0.99 C ATOM 0 H THR A 5 -2.683 10.959 2.928 1.00 0.47 H new ATOM 0 HA THR A 5 -1.129 11.861 5.201 1.00 0.54 H new ATOM 0 HB THR A 5 -2.876 13.672 3.570 1.00 0.62 H new ATOM 0 HG1 THR A 5 -2.041 12.481 1.885 1.00 1.12 H new ATOM 0 HG21 THR A 5 -0.895 15.140 3.690 1.00 0.99 H new ATOM 0 HG22 THR A 5 -1.418 14.604 5.305 1.00 0.99 H new ATOM 0 HG23 THR A 5 -0.001 13.853 4.534 1.00 0.99 H new ATOM 60 N GLU A 6 -3.099 13.259 6.424 1.00 0.60 N ATOM 61 CA GLU A 6 -4.145 13.577 7.384 1.00 0.62 C ATOM 62 C GLU A 6 -5.436 13.936 6.660 1.00 0.55 C ATOM 63 O GLU A 6 -6.533 13.574 7.091 1.00 0.53 O ATOM 64 CB GLU A 6 -3.697 14.742 8.267 1.00 0.75 C ATOM 65 CG GLU A 6 -4.798 15.302 9.150 1.00 1.46 C ATOM 66 CD GLU A 6 -4.325 16.452 10.015 1.00 1.74 C ATOM 67 OE1 GLU A 6 -4.365 17.607 9.542 1.00 2.20 O ATOM 68 OE2 GLU A 6 -3.915 16.199 11.168 1.00 2.00 O ATOM 0 H GLU A 6 -2.295 13.886 6.453 1.00 0.60 H new ATOM 0 HA GLU A 6 -4.329 12.703 8.009 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -2.872 14.411 8.898 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -3.313 15.540 7.632 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -5.624 15.639 8.524 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -5.185 14.508 9.788 1.00 1.46 H new ATOM 75 N GLU A 7 -5.286 14.636 5.545 1.00 0.58 N ATOM 76 CA GLU A 7 -6.419 15.064 4.742 1.00 0.58 C ATOM 77 C GLU A 7 -6.996 13.897 3.949 1.00 0.48 C ATOM 78 O GLU A 7 -8.211 13.701 3.907 1.00 0.46 O ATOM 79 CB GLU A 7 -5.990 16.183 3.794 1.00 0.69 C ATOM 80 CG GLU A 7 -4.741 15.858 2.990 1.00 0.69 C ATOM 81 CD GLU A 7 -4.396 16.941 1.987 1.00 1.02 C ATOM 82 OE1 GLU A 7 -4.910 16.886 0.851 1.00 1.19 O ATOM 83 OE2 GLU A 7 -3.609 17.847 2.339 1.00 1.35 O ATOM 0 H GLU A 7 -4.380 14.921 5.174 1.00 0.58 H new ATOM 0 HA GLU A 7 -7.195 15.437 5.411 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -6.808 16.398 3.107 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -5.813 17.090 4.373 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -3.901 15.717 3.671 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -4.887 14.914 2.465 1.00 0.69 H new ATOM 90 N GLN A 8 -6.115 13.124 3.324 1.00 0.44 N ATOM 91 CA GLN A 8 -6.532 11.976 2.530 1.00 0.37 C ATOM 92 C GLN A 8 -7.237 10.942 3.398 1.00 0.31 C ATOM 93 O GLN A 8 -8.289 10.422 3.029 1.00 0.29 O ATOM 94 CB GLN A 8 -5.324 11.343 1.840 1.00 0.40 C ATOM 95 CG GLN A 8 -4.678 12.243 0.799 1.00 0.48 C ATOM 96 CD GLN A 8 -3.606 11.533 -0.002 1.00 1.35 C ATOM 97 OE1 GLN A 8 -2.432 11.538 0.367 1.00 2.22 O ATOM 98 NE2 GLN A 8 -4.007 10.916 -1.108 1.00 1.68 N ATOM 0 H GLN A 8 -5.106 13.272 3.352 1.00 0.44 H new ATOM 0 HA GLN A 8 -7.233 12.325 1.772 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.581 11.082 2.594 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.634 10.414 1.363 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -5.445 12.616 0.121 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -4.241 13.110 1.295 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -4.991 10.938 -1.376 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -3.331 10.420 -1.689 1.00 1.68 H new ATOM 107 N ILE A 9 -6.650 10.651 4.556 1.00 0.33 N ATOM 108 CA ILE A 9 -7.221 9.681 5.479 1.00 0.33 C ATOM 109 C ILE A 9 -8.637 10.072 5.878 1.00 0.34 C ATOM 110 O ILE A 9 -9.570 9.291 5.719 1.00 0.36 O ATOM 111 CB ILE A 9 -6.353 9.524 6.748 1.00 0.42 C ATOM 112 CG1 ILE A 9 -5.038 8.819 6.403 1.00 0.44 C ATOM 113 CG2 ILE A 9 -7.107 8.752 7.824 1.00 0.51 C ATOM 114 CD1 ILE A 9 -4.046 8.795 7.547 1.00 0.54 C ATOM 0 H ILE A 9 -5.779 11.075 4.875 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.249 8.725 4.956 1.00 0.33 H new ATOM 0 HB ILE A 9 -6.126 10.516 7.138 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -5.253 7.795 6.098 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.582 9.317 5.548 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.478 8.653 8.709 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -8.019 9.289 8.085 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.364 7.762 7.449 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -3.139 8.280 7.231 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.801 9.817 7.838 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.483 8.271 8.397 1.00 0.54 H new ATOM 126 N ALA A 10 -8.789 11.289 6.385 1.00 0.36 N ATOM 127 CA ALA A 10 -10.090 11.783 6.816 1.00 0.40 C ATOM 128 C ALA A 10 -11.095 11.822 5.664 1.00 0.35 C ATOM 129 O ALA A 10 -12.306 11.768 5.886 1.00 0.36 O ATOM 130 CB ALA A 10 -9.938 13.167 7.431 1.00 0.50 C ATOM 0 H ALA A 10 -8.025 11.953 6.508 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.479 11.092 7.564 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.914 13.532 7.752 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.271 13.112 8.291 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.520 13.850 6.691 1.00 0.50 H new ATOM 136 N GLU A 11 -10.591 11.905 4.435 1.00 0.33 N ATOM 137 CA GLU A 11 -11.458 11.969 3.260 1.00 0.33 C ATOM 138 C GLU A 11 -12.125 10.629 2.964 1.00 0.27 C ATOM 139 O GLU A 11 -13.352 10.547 2.893 1.00 0.28 O ATOM 140 CB GLU A 11 -10.663 12.433 2.036 1.00 0.37 C ATOM 141 CG GLU A 11 -11.482 12.465 0.753 1.00 0.41 C ATOM 142 CD GLU A 11 -12.653 13.424 0.830 1.00 1.27 C ATOM 143 OE1 GLU A 11 -12.469 14.615 0.501 1.00 1.19 O ATOM 144 OE2 GLU A 11 -13.755 12.985 1.222 1.00 2.27 O ATOM 0 H GLU A 11 -9.593 11.929 4.227 1.00 0.33 H new ATOM 0 HA GLU A 11 -12.245 12.690 3.481 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -10.265 13.429 2.228 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.809 11.770 1.895 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -10.837 12.752 -0.078 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -11.852 11.463 0.538 1.00 0.41 H new ATOM 151 N PHE A 12 -11.327 9.576 2.792 1.00 0.23 N ATOM 152 CA PHE A 12 -11.885 8.262 2.497 1.00 0.22 C ATOM 153 C PHE A 12 -12.458 7.624 3.757 1.00 0.19 C ATOM 154 O PHE A 12 -13.335 6.764 3.681 1.00 0.20 O ATOM 155 CB PHE A 12 -10.847 7.344 1.834 1.00 0.26 C ATOM 156 CG PHE A 12 -9.649 7.011 2.682 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.792 6.231 3.818 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.389 7.488 2.357 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.702 5.930 4.609 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.295 7.190 3.143 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.426 6.384 4.224 1.00 0.35 C ATOM 0 H PHE A 12 -10.309 9.607 2.851 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.699 8.399 1.785 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.339 6.414 1.548 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.501 7.818 0.915 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.768 5.854 4.088 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.262 8.101 1.477 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.826 5.353 5.513 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.328 7.602 2.895 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.554 6.090 4.789 1.00 0.35 H new ATOM 171 N LYS A 13 -11.955 8.046 4.913 1.00 0.19 N ATOM 172 CA LYS A 13 -12.442 7.526 6.183 1.00 0.22 C ATOM 173 C LYS A 13 -13.894 7.949 6.376 1.00 0.21 C ATOM 174 O LYS A 13 -14.723 7.176 6.859 1.00 0.23 O ATOM 175 CB LYS A 13 -11.562 8.020 7.339 1.00 0.28 C ATOM 176 CG LYS A 13 -12.184 7.853 8.718 1.00 0.32 C ATOM 177 CD LYS A 13 -12.532 6.399 9.003 1.00 0.33 C ATOM 178 CE LYS A 13 -12.307 6.048 10.464 1.00 0.48 C ATOM 179 NZ LYS A 13 -13.088 6.929 11.376 1.00 1.23 N ATOM 0 H LYS A 13 -11.215 8.743 4.995 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.391 6.437 6.174 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.614 7.482 7.314 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.335 9.074 7.182 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.491 8.217 9.477 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -13.084 8.464 8.788 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -13.574 6.215 8.740 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -11.925 5.748 8.374 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -12.588 5.009 10.635 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -11.246 6.133 10.698 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -13.056 6.545 12.342 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -12.679 7.885 11.370 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -14.076 6.974 11.054 1.00 1.23 H new ATOM 193 N ASP A 14 -14.192 9.186 5.991 1.00 0.23 N ATOM 194 CA ASP A 14 -15.549 9.702 6.079 1.00 0.25 C ATOM 195 C ASP A 14 -16.426 8.964 5.076 1.00 0.22 C ATOM 196 O ASP A 14 -17.543 8.542 5.383 1.00 0.23 O ATOM 197 CB ASP A 14 -15.570 11.204 5.788 1.00 0.31 C ATOM 198 CG ASP A 14 -16.920 11.831 6.081 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.139 12.259 7.233 1.00 0.44 O ATOM 200 OD2 ASP A 14 -17.758 11.893 5.157 1.00 0.41 O ATOM 0 H ASP A 14 -13.512 9.847 5.616 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.930 9.544 7.088 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.805 11.698 6.387 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -15.314 11.372 4.742 1.00 0.31 H new ATOM 205 N ALA A 15 -15.893 8.800 3.870 1.00 0.22 N ATOM 206 CA ALA A 15 -16.597 8.103 2.808 1.00 0.24 C ATOM 207 C ALA A 15 -16.772 6.630 3.163 1.00 0.22 C ATOM 208 O ALA A 15 -17.574 5.923 2.555 1.00 0.29 O ATOM 209 CB ALA A 15 -15.841 8.247 1.496 1.00 0.27 C ATOM 0 H ALA A 15 -14.970 9.144 3.606 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.585 8.549 2.692 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.378 7.721 0.707 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.759 9.303 1.237 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.843 7.821 1.602 1.00 0.27 H new ATOM 215 N PHE A 16 -16.017 6.181 4.163 1.00 0.20 N ATOM 216 CA PHE A 16 -16.074 4.795 4.607 1.00 0.22 C ATOM 217 C PHE A 16 -17.284 4.571 5.504 1.00 0.22 C ATOM 218 O PHE A 16 -18.040 3.618 5.316 1.00 0.25 O ATOM 219 CB PHE A 16 -14.786 4.424 5.351 1.00 0.26 C ATOM 220 CG PHE A 16 -14.829 3.068 5.997 1.00 0.31 C ATOM 221 CD1 PHE A 16 -14.532 1.927 5.269 1.00 0.38 C ATOM 222 CD2 PHE A 16 -15.165 2.936 7.336 1.00 0.37 C ATOM 223 CE1 PHE A 16 -14.570 0.680 5.862 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.204 1.691 7.934 1.00 0.45 C ATOM 225 CZ PHE A 16 -14.906 0.562 7.197 1.00 0.48 C ATOM 0 H PHE A 16 -15.357 6.761 4.681 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.170 4.154 3.730 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -13.951 4.457 4.651 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.590 5.175 6.116 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.268 2.014 4.225 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.399 3.816 7.917 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -14.337 -0.201 5.283 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.467 1.601 8.977 1.00 0.45 H new ATOM 0 HZ PHE A 16 -14.936 -0.412 7.663 1.00 0.48 H new ATOM 235 N VAL A 17 -17.464 5.454 6.479 1.00 0.22 N ATOM 236 CA VAL A 17 -18.589 5.343 7.396 1.00 0.23 C ATOM 237 C VAL A 17 -19.900 5.560 6.651 1.00 0.23 C ATOM 238 O VAL A 17 -20.960 5.114 7.090 1.00 0.26 O ATOM 239 CB VAL A 17 -18.485 6.349 8.559 1.00 0.30 C ATOM 240 CG1 VAL A 17 -17.254 6.064 9.405 1.00 1.11 C ATOM 241 CG2 VAL A 17 -18.461 7.779 8.042 1.00 0.91 C ATOM 0 H VAL A 17 -16.849 6.249 6.654 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.566 4.338 7.816 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.369 6.232 9.186 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -17.198 6.785 10.221 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.320 5.056 9.815 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.360 6.146 8.786 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -18.387 8.469 8.883 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.602 7.914 7.385 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -19.377 7.981 7.487 1.00 0.91 H new ATOM 251 N GLN A 18 -19.814 6.251 5.517 1.00 0.24 N ATOM 252 CA GLN A 18 -20.984 6.525 4.690 1.00 0.29 C ATOM 253 C GLN A 18 -21.697 5.237 4.269 1.00 0.32 C ATOM 254 O GLN A 18 -22.921 5.144 4.355 1.00 0.43 O ATOM 255 CB GLN A 18 -20.571 7.313 3.445 1.00 0.33 C ATOM 256 CG GLN A 18 -20.238 8.770 3.724 1.00 0.34 C ATOM 257 CD GLN A 18 -21.424 9.548 4.255 1.00 1.09 C ATOM 258 OE1 GLN A 18 -22.206 10.111 3.488 1.00 1.54 O ATOM 259 NE2 GLN A 18 -21.562 9.587 5.575 1.00 1.60 N ATOM 0 H GLN A 18 -18.942 6.632 5.150 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.679 7.114 5.288 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.704 6.832 2.993 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.378 7.268 2.714 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -19.423 8.821 4.446 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.882 9.239 2.807 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -20.890 9.106 6.172 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -22.340 10.098 5.992 1.00 1.60 H new ATOM 268 N PHE A 19 -20.928 4.245 3.819 1.00 0.28 N ATOM 269 CA PHE A 19 -21.501 2.975 3.374 1.00 0.33 C ATOM 270 C PHE A 19 -21.714 2.005 4.533 1.00 0.35 C ATOM 271 O PHE A 19 -21.789 0.793 4.327 1.00 0.64 O ATOM 272 CB PHE A 19 -20.605 2.319 2.319 1.00 0.36 C ATOM 273 CG PHE A 19 -20.460 3.131 1.063 1.00 0.37 C ATOM 274 CD1 PHE A 19 -19.458 4.083 0.951 1.00 0.41 C ATOM 275 CD2 PHE A 19 -21.324 2.944 -0.002 1.00 0.48 C ATOM 276 CE1 PHE A 19 -19.322 4.833 -0.202 1.00 0.44 C ATOM 277 CE2 PHE A 19 -21.192 3.690 -1.158 1.00 0.54 C ATOM 278 CZ PHE A 19 -20.193 4.630 -1.262 1.00 0.47 C ATOM 0 H PHE A 19 -19.911 4.296 3.753 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.474 3.202 2.938 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.617 2.149 2.748 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -21.014 1.341 2.064 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -18.776 4.240 1.774 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -22.110 2.207 0.071 1.00 0.48 H new ATOM 0 HE1 PHE A 19 -18.540 5.574 -0.277 1.00 0.44 H new ATOM 0 HE2 PHE A 19 -21.874 3.535 -1.981 1.00 0.54 H new ATOM 0 HZ PHE A 19 -20.087 5.209 -2.168 1.00 0.47 H new ATOM 288 N ASP A 20 -21.814 2.534 5.747 1.00 0.29 N ATOM 289 CA ASP A 20 -22.026 1.692 6.918 1.00 0.28 C ATOM 290 C ASP A 20 -23.315 2.076 7.635 1.00 0.37 C ATOM 291 O ASP A 20 -23.293 2.770 8.653 1.00 0.44 O ATOM 292 CB ASP A 20 -20.841 1.787 7.879 1.00 0.25 C ATOM 293 CG ASP A 20 -20.954 0.798 9.024 1.00 0.27 C ATOM 294 OD1 ASP A 20 -21.054 -0.418 8.750 1.00 0.29 O ATOM 295 OD2 ASP A 20 -20.944 1.240 10.192 1.00 0.33 O ATOM 0 H ASP A 20 -21.752 3.533 5.945 1.00 0.29 H new ATOM 0 HA ASP A 20 -22.113 0.661 6.576 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.916 1.604 7.332 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.780 2.799 8.279 1.00 0.25 H new ATOM 300 N LYS A 21 -24.438 1.621 7.091 1.00 0.47 N ATOM 301 CA LYS A 21 -25.746 1.908 7.671 1.00 0.59 C ATOM 302 C LYS A 21 -26.141 0.839 8.684 1.00 0.64 C ATOM 303 O LYS A 21 -26.937 1.089 9.589 1.00 0.83 O ATOM 304 CB LYS A 21 -26.800 1.990 6.569 1.00 0.68 C ATOM 305 CG LYS A 21 -26.590 3.160 5.624 1.00 1.02 C ATOM 306 CD LYS A 21 -26.988 4.481 6.268 1.00 1.14 C ATOM 307 CE LYS A 21 -28.499 4.615 6.381 1.00 1.67 C ATOM 308 NZ LYS A 21 -29.157 4.610 5.046 1.00 2.10 N ATOM 0 H LYS A 21 -24.469 1.050 6.246 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.686 2.866 8.187 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.790 1.063 5.996 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.787 2.072 7.025 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -25.543 3.202 5.324 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -27.176 3.006 4.718 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -26.540 4.553 7.259 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -26.592 5.308 5.679 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -28.892 3.796 6.983 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -28.744 5.540 6.903 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -30.105 5.031 5.124 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -28.586 5.164 4.376 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -29.241 3.631 4.704 1.00 2.10 H new ATOM 322 N GLU A 22 -25.577 -0.352 8.522 1.00 0.58 N ATOM 323 CA GLU A 22 -25.871 -1.468 9.413 1.00 0.63 C ATOM 324 C GLU A 22 -25.330 -1.212 10.816 1.00 0.60 C ATOM 325 O GLU A 22 -25.945 -1.601 11.809 1.00 0.80 O ATOM 326 CB GLU A 22 -25.278 -2.758 8.847 1.00 0.62 C ATOM 327 CG GLU A 22 -25.776 -3.086 7.447 1.00 0.71 C ATOM 328 CD GLU A 22 -25.024 -4.241 6.815 1.00 0.98 C ATOM 329 OE1 GLU A 22 -25.401 -5.405 7.071 1.00 0.96 O ATOM 330 OE2 GLU A 22 -24.058 -3.984 6.067 1.00 1.80 O ATOM 0 H GLU A 22 -24.912 -0.570 7.780 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.954 -1.570 9.484 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -24.192 -2.672 8.828 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -25.521 -3.585 9.514 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -26.838 -3.329 7.491 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -25.677 -2.204 6.815 1.00 0.71 H new ATOM 337 N GLY A 23 -24.176 -0.554 10.892 1.00 0.45 N ATOM 338 CA GLY A 23 -23.576 -0.256 12.181 1.00 0.46 C ATOM 339 C GLY A 23 -22.435 -1.192 12.529 1.00 0.39 C ATOM 340 O GLY A 23 -21.867 -1.109 13.618 1.00 0.45 O ATOM 0 H GLY A 23 -23.647 -0.222 10.086 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -23.209 0.771 12.177 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -24.340 -0.319 12.956 1.00 0.46 H new ATOM 344 N THR A 24 -22.099 -2.085 11.603 1.00 0.34 N ATOM 345 CA THR A 24 -21.016 -3.040 11.816 1.00 0.30 C ATOM 346 C THR A 24 -19.656 -2.396 11.568 1.00 0.28 C ATOM 347 O THR A 24 -18.628 -3.074 11.575 1.00 0.29 O ATOM 348 CB THR A 24 -21.163 -4.271 10.899 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.232 -3.858 9.530 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.410 -5.066 11.255 1.00 0.40 C ATOM 0 H THR A 24 -22.561 -2.167 10.697 1.00 0.34 H new ATOM 0 HA THR A 24 -21.079 -3.360 12.856 1.00 0.30 H new ATOM 0 HB THR A 24 -20.290 -4.908 11.043 1.00 0.32 H new ATOM 0 HG1 THR A 24 -21.140 -4.640 8.947 1.00 0.33 H new ATOM 0 HG21 THR A 24 -22.492 -5.929 10.595 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.343 -5.405 12.289 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.290 -4.434 11.137 1.00 0.40 H new ATOM 358 N GLY A 25 -19.656 -1.080 11.354 1.00 0.30 N ATOM 359 CA GLY A 25 -18.415 -0.369 11.099 1.00 0.32 C ATOM 360 C GLY A 25 -17.671 -0.936 9.907 1.00 0.28 C ATOM 361 O GLY A 25 -16.471 -0.715 9.748 1.00 0.33 O ATOM 0 H GLY A 25 -20.492 -0.496 11.353 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.630 0.685 10.924 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.779 -0.422 11.982 1.00 0.32 H new ATOM 365 N LYS A 26 -18.396 -1.667 9.067 1.00 0.22 N ATOM 366 CA LYS A 26 -17.821 -2.285 7.882 1.00 0.19 C ATOM 367 C LYS A 26 -18.602 -1.900 6.627 1.00 0.20 C ATOM 368 O LYS A 26 -19.781 -1.554 6.702 1.00 0.23 O ATOM 369 CB LYS A 26 -17.802 -3.805 8.054 1.00 0.20 C ATOM 370 CG LYS A 26 -16.745 -4.286 9.036 1.00 0.25 C ATOM 371 CD LYS A 26 -17.263 -5.406 9.928 1.00 0.62 C ATOM 372 CE LYS A 26 -17.581 -6.660 9.130 1.00 0.62 C ATOM 373 NZ LYS A 26 -18.016 -7.784 10.006 1.00 1.10 N ATOM 0 H LYS A 26 -19.393 -1.846 9.189 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.800 -1.923 7.762 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.783 -4.137 8.395 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.626 -4.271 7.085 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.871 -4.635 8.486 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -16.419 -3.451 9.655 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -16.518 -5.638 10.689 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -18.159 -5.070 10.450 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -18.366 -6.440 8.406 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -16.700 -6.962 8.563 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -18.223 -8.619 9.422 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -17.258 -8.012 10.680 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -18.871 -7.506 10.528 1.00 1.10 H new ATOM 387 N ILE A 27 -17.939 -1.961 5.473 1.00 0.22 N ATOM 388 CA ILE A 27 -18.576 -1.614 4.204 1.00 0.26 C ATOM 389 C ILE A 27 -18.687 -2.827 3.280 1.00 0.24 C ATOM 390 O ILE A 27 -17.713 -3.547 3.062 1.00 0.25 O ATOM 391 CB ILE A 27 -17.801 -0.494 3.478 1.00 0.34 C ATOM 392 CG1 ILE A 27 -16.350 -0.918 3.229 1.00 0.40 C ATOM 393 CG2 ILE A 27 -17.853 0.790 4.292 1.00 0.33 C ATOM 394 CD1 ILE A 27 -15.562 0.076 2.405 1.00 0.50 C ATOM 0 H ILE A 27 -16.963 -2.247 5.391 1.00 0.22 H new ATOM 0 HA ILE A 27 -19.579 -1.260 4.443 1.00 0.26 H new ATOM 0 HB ILE A 27 -18.272 -0.313 2.512 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -15.852 -1.058 4.188 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -16.344 -1.883 2.722 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -17.303 1.574 3.771 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -18.891 1.098 4.420 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.402 0.619 5.270 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -14.544 -0.290 2.269 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -16.037 0.199 1.431 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -15.536 1.036 2.920 1.00 0.50 H new ATOM 406 N ALA A 28 -19.887 -3.050 2.748 1.00 0.26 N ATOM 407 CA ALA A 28 -20.137 -4.174 1.848 1.00 0.26 C ATOM 408 C ALA A 28 -19.165 -4.166 0.675 1.00 0.23 C ATOM 409 O ALA A 28 -18.924 -3.127 0.061 1.00 0.25 O ATOM 410 CB ALA A 28 -21.572 -4.134 1.344 1.00 0.30 C ATOM 0 H ALA A 28 -20.704 -2.465 2.925 1.00 0.26 H new ATOM 0 HA ALA A 28 -19.982 -5.097 2.407 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.746 -4.976 0.674 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.257 -4.195 2.190 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -21.743 -3.202 0.806 1.00 0.30 H new ATOM 416 N THR A 29 -18.606 -5.335 0.371 1.00 0.27 N ATOM 417 CA THR A 29 -17.659 -5.468 -0.730 1.00 0.30 C ATOM 418 C THR A 29 -18.342 -5.231 -2.071 1.00 0.29 C ATOM 419 O THR A 29 -17.685 -5.150 -3.110 1.00 0.39 O ATOM 420 CB THR A 29 -16.998 -6.861 -0.737 1.00 0.37 C ATOM 421 OG1 THR A 29 -16.118 -6.981 -1.861 1.00 1.03 O ATOM 422 CG2 THR A 29 -18.051 -7.958 -0.789 1.00 0.96 C ATOM 0 H THR A 29 -18.793 -6.203 0.873 1.00 0.27 H new ATOM 0 HA THR A 29 -16.888 -4.712 -0.581 1.00 0.30 H new ATOM 0 HB THR A 29 -16.425 -6.973 0.184 1.00 0.37 H new ATOM 0 HG1 THR A 29 -16.366 -6.322 -2.542 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.562 -8.932 -0.793 1.00 0.96 H new ATOM 0 HG22 THR A 29 -18.700 -7.881 0.084 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.647 -7.848 -1.695 1.00 0.96 H new ATOM 430 N ARG A 30 -19.665 -5.121 -2.037 1.00 0.25 N ATOM 431 CA ARG A 30 -20.447 -4.886 -3.241 1.00 0.29 C ATOM 432 C ARG A 30 -20.598 -3.390 -3.496 1.00 0.28 C ATOM 433 O ARG A 30 -21.206 -2.974 -4.481 1.00 0.44 O ATOM 434 CB ARG A 30 -21.826 -5.530 -3.100 1.00 0.35 C ATOM 435 CG ARG A 30 -21.776 -6.983 -2.658 1.00 0.43 C ATOM 436 CD ARG A 30 -23.133 -7.454 -2.164 1.00 0.83 C ATOM 437 NE ARG A 30 -24.167 -7.306 -3.186 1.00 1.56 N ATOM 438 CZ ARG A 30 -25.436 -7.666 -3.014 1.00 2.17 C ATOM 439 NH1 ARG A 30 -25.828 -8.202 -1.866 1.00 2.25 N ATOM 440 NH2 ARG A 30 -26.314 -7.491 -3.992 1.00 3.08 N ATOM 0 H ARG A 30 -20.219 -5.191 -1.184 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.926 -5.334 -4.087 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.412 -4.960 -2.380 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -22.347 -5.467 -4.056 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -21.452 -7.608 -3.490 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -21.037 -7.099 -1.865 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -23.067 -8.500 -1.863 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -23.414 -6.885 -1.278 1.00 0.83 H new ATOM 0 HE ARG A 30 -23.900 -6.903 -4.084 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -25.156 -8.339 -1.111 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -26.802 -8.477 -1.738 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -26.017 -7.080 -4.877 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -27.287 -7.767 -3.859 1.00 3.08 H new ATOM 454 N GLU A 31 -20.034 -2.590 -2.597 1.00 0.22 N ATOM 455 CA GLU A 31 -20.103 -1.137 -2.706 1.00 0.23 C ATOM 456 C GLU A 31 -18.713 -0.516 -2.613 1.00 0.21 C ATOM 457 O GLU A 31 -18.568 0.706 -2.643 1.00 0.21 O ATOM 458 CB GLU A 31 -20.999 -0.571 -1.602 1.00 0.30 C ATOM 459 CG GLU A 31 -22.374 -1.220 -1.539 1.00 0.32 C ATOM 460 CD GLU A 31 -23.258 -0.611 -0.469 1.00 1.30 C ATOM 461 OE1 GLU A 31 -23.176 -1.056 0.694 1.00 2.26 O ATOM 462 OE2 GLU A 31 -24.035 0.312 -0.795 1.00 1.40 O ATOM 0 H GLU A 31 -19.522 -2.925 -1.781 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.527 -0.888 -3.679 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.502 -0.700 -0.641 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -21.120 0.501 -1.758 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.863 -1.121 -2.508 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.260 -2.287 -1.347 1.00 0.32 H new ATOM 469 N LEU A 32 -17.692 -1.364 -2.496 1.00 0.21 N ATOM 470 CA LEU A 32 -16.315 -0.891 -2.394 1.00 0.24 C ATOM 471 C LEU A 32 -15.955 -0.025 -3.597 1.00 0.23 C ATOM 472 O LEU A 32 -15.463 1.093 -3.440 1.00 0.25 O ATOM 473 CB LEU A 32 -15.350 -2.079 -2.273 1.00 0.29 C ATOM 474 CG LEU A 32 -13.931 -1.746 -1.787 1.00 0.44 C ATOM 475 CD1 LEU A 32 -13.109 -1.108 -2.896 1.00 1.04 C ATOM 476 CD2 LEU A 32 -13.975 -0.834 -0.568 1.00 1.37 C ATOM 0 H LEU A 32 -17.793 -2.379 -2.470 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.224 -0.280 -1.496 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.786 -2.807 -1.589 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.275 -2.562 -3.247 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.450 -2.681 -1.501 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -12.109 -0.883 -2.524 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.037 -1.797 -3.738 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.591 -0.186 -3.222 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -12.959 -0.612 -0.243 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -14.484 0.095 -0.827 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.514 -1.331 0.239 1.00 1.37 H new ATOM 488 N GLY A 33 -16.196 -0.545 -4.796 1.00 0.25 N ATOM 489 CA GLY A 33 -15.901 0.213 -5.997 1.00 0.28 C ATOM 490 C GLY A 33 -16.596 1.555 -5.988 1.00 0.27 C ATOM 491 O GLY A 33 -15.996 2.577 -6.320 1.00 0.32 O ATOM 0 H GLY A 33 -16.588 -1.473 -4.957 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -14.824 0.360 -6.081 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.214 -0.355 -6.873 1.00 0.28 H new ATOM 495 N THR A 34 -17.868 1.549 -5.597 1.00 0.23 N ATOM 496 CA THR A 34 -18.654 2.772 -5.522 1.00 0.24 C ATOM 497 C THR A 34 -17.967 3.784 -4.617 1.00 0.22 C ATOM 498 O THR A 34 -18.001 4.989 -4.869 1.00 0.23 O ATOM 499 CB THR A 34 -20.070 2.492 -4.984 1.00 0.26 C ATOM 500 OG1 THR A 34 -20.739 1.553 -5.835 1.00 0.31 O ATOM 501 CG2 THR A 34 -20.885 3.775 -4.898 1.00 0.29 C ATOM 0 H THR A 34 -18.375 0.706 -5.327 1.00 0.23 H new ATOM 0 HA THR A 34 -18.736 3.175 -6.531 1.00 0.24 H new ATOM 0 HB THR A 34 -19.976 2.074 -3.982 1.00 0.26 H new ATOM 0 HG1 THR A 34 -21.638 1.378 -5.486 1.00 0.31 H new ATOM 0 HG21 THR A 34 -21.880 3.549 -4.515 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.389 4.477 -4.227 1.00 0.29 H new ATOM 0 HG23 THR A 34 -20.970 4.219 -5.890 1.00 0.29 H new ATOM 509 N LEU A 35 -17.341 3.278 -3.560 1.00 0.22 N ATOM 510 CA LEU A 35 -16.630 4.122 -2.611 1.00 0.24 C ATOM 511 C LEU A 35 -15.427 4.776 -3.281 1.00 0.25 C ATOM 512 O LEU A 35 -15.040 5.894 -2.942 1.00 0.29 O ATOM 513 CB LEU A 35 -16.176 3.289 -1.406 1.00 0.29 C ATOM 514 CG LEU A 35 -15.210 3.988 -0.451 1.00 0.42 C ATOM 515 CD1 LEU A 35 -15.865 5.208 0.174 1.00 1.24 C ATOM 516 CD2 LEU A 35 -14.739 3.023 0.626 1.00 1.16 C ATOM 0 H LEU A 35 -17.313 2.282 -3.340 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.304 4.906 -2.266 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -17.059 2.984 -0.844 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.702 2.379 -1.773 1.00 0.29 H new ATOM 0 HG LEU A 35 -14.342 4.321 -1.020 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.161 5.692 0.851 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -16.154 5.908 -0.610 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -16.751 4.901 0.730 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -14.051 3.536 1.299 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -15.598 2.662 1.192 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -14.230 2.179 0.161 1.00 1.16 H new ATOM 528 N MET A 36 -14.837 4.061 -4.232 1.00 0.28 N ATOM 529 CA MET A 36 -13.678 4.558 -4.964 1.00 0.32 C ATOM 530 C MET A 36 -14.107 5.508 -6.078 1.00 0.30 C ATOM 531 O MET A 36 -13.308 6.307 -6.565 1.00 0.40 O ATOM 532 CB MET A 36 -12.884 3.385 -5.544 1.00 0.45 C ATOM 533 CG MET A 36 -12.779 2.200 -4.597 1.00 0.51 C ATOM 534 SD MET A 36 -11.426 1.085 -5.014 1.00 1.10 S ATOM 535 CE MET A 36 -10.023 2.005 -4.386 1.00 0.69 C ATOM 0 H MET A 36 -15.144 3.131 -4.515 1.00 0.28 H new ATOM 0 HA MET A 36 -13.043 5.110 -4.272 1.00 0.32 H new ATOM 0 HB2 MET A 36 -13.356 3.059 -6.471 1.00 0.45 H new ATOM 0 HB3 MET A 36 -11.881 3.726 -5.800 1.00 0.45 H new ATOM 0 HG2 MET A 36 -12.641 2.566 -3.580 1.00 0.51 H new ATOM 0 HG3 MET A 36 -13.717 1.646 -4.612 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.198 1.321 -4.189 1.00 0.69 H new ATOM 0 HE2 MET A 36 -9.713 2.745 -5.124 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.303 2.510 -3.462 1.00 0.69 H new ATOM 545 N ARG A 37 -15.374 5.415 -6.479 1.00 0.30 N ATOM 546 CA ARG A 37 -15.907 6.272 -7.533 1.00 0.34 C ATOM 547 C ARG A 37 -16.135 7.686 -7.012 1.00 0.33 C ATOM 548 O ARG A 37 -15.811 8.665 -7.684 1.00 0.43 O ATOM 549 CB ARG A 37 -17.219 5.703 -8.079 1.00 0.44 C ATOM 550 CG ARG A 37 -17.074 4.338 -8.727 1.00 0.64 C ATOM 551 CD ARG A 37 -18.417 3.807 -9.195 1.00 0.70 C ATOM 552 NE ARG A 37 -18.834 4.412 -10.457 1.00 1.40 N ATOM 553 CZ ARG A 37 -20.094 4.447 -10.878 1.00 1.73 C ATOM 554 NH1 ARG A 37 -21.062 3.928 -10.134 1.00 1.52 N ATOM 555 NH2 ARG A 37 -20.387 5.007 -12.044 1.00 2.69 N ATOM 0 H ARG A 37 -16.048 4.756 -6.090 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.175 6.308 -8.340 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -17.940 5.633 -7.265 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -17.630 6.400 -8.810 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.391 4.405 -9.574 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.632 3.640 -8.016 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -18.358 2.725 -9.314 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -19.170 4.003 -8.432 1.00 0.70 H new ATOM 0 HE ARG A 37 -18.117 4.832 -11.049 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -20.841 3.500 -9.235 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -22.028 3.957 -10.461 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -19.646 5.410 -12.617 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -21.354 5.034 -12.368 1.00 2.69 H new ATOM 569 N THR A 38 -16.696 7.785 -5.809 1.00 0.31 N ATOM 570 CA THR A 38 -16.961 9.082 -5.194 1.00 0.39 C ATOM 571 C THR A 38 -15.660 9.815 -4.883 1.00 0.36 C ATOM 572 O THR A 38 -15.661 11.014 -4.604 1.00 0.43 O ATOM 573 CB THR A 38 -17.802 8.947 -3.908 1.00 0.50 C ATOM 574 OG1 THR A 38 -17.779 10.177 -3.174 1.00 1.06 O ATOM 575 CG2 THR A 38 -17.287 7.817 -3.032 1.00 0.61 C ATOM 0 H THR A 38 -16.975 6.984 -5.242 1.00 0.31 H new ATOM 0 HA THR A 38 -17.534 9.663 -5.916 1.00 0.39 H new ATOM 0 HB THR A 38 -18.827 8.716 -4.198 1.00 0.50 H new ATOM 0 HG1 THR A 38 -17.257 10.843 -3.668 1.00 1.06 H new ATOM 0 HG21 THR A 38 -17.899 7.746 -2.133 1.00 0.61 H new ATOM 0 HG22 THR A 38 -17.339 6.877 -3.582 1.00 0.61 H new ATOM 0 HG23 THR A 38 -16.253 8.016 -2.752 1.00 0.61 H new ATOM 583 N LEU A 39 -14.551 9.083 -4.935 1.00 0.30 N ATOM 584 CA LEU A 39 -13.238 9.658 -4.671 1.00 0.33 C ATOM 585 C LEU A 39 -12.380 9.639 -5.936 1.00 0.33 C ATOM 586 O LEU A 39 -12.607 8.839 -6.843 1.00 0.31 O ATOM 587 CB LEU A 39 -12.532 8.903 -3.543 1.00 0.38 C ATOM 588 CG LEU A 39 -12.833 9.407 -2.128 1.00 0.64 C ATOM 589 CD1 LEU A 39 -14.269 9.101 -1.735 1.00 1.26 C ATOM 590 CD2 LEU A 39 -11.866 8.790 -1.130 1.00 1.07 C ATOM 0 H LEU A 39 -14.537 8.088 -5.158 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.378 10.693 -4.359 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -12.810 7.851 -3.603 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.456 8.958 -3.709 1.00 0.38 H new ATOM 0 HG LEU A 39 -12.703 10.489 -2.118 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -14.457 9.469 -0.726 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -14.949 9.590 -2.432 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -14.433 8.024 -1.764 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -12.092 9.158 -0.129 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -11.966 7.705 -1.149 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -10.845 9.065 -1.395 1.00 1.07 H new ATOM 602 N GLY A 40 -11.400 10.538 -5.981 1.00 0.42 N ATOM 603 CA GLY A 40 -10.525 10.657 -7.136 1.00 0.47 C ATOM 604 C GLY A 40 -9.818 9.372 -7.540 1.00 0.43 C ATOM 605 O GLY A 40 -9.159 9.338 -8.579 1.00 0.69 O ATOM 0 H GLY A 40 -11.195 11.194 -5.228 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.112 11.013 -7.983 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -9.773 11.418 -6.927 1.00 0.47 H new ATOM 609 N GLN A 41 -9.936 8.318 -6.736 1.00 0.44 N ATOM 610 CA GLN A 41 -9.288 7.048 -7.066 1.00 0.40 C ATOM 611 C GLN A 41 -9.783 6.514 -8.405 1.00 0.51 C ATOM 612 O GLN A 41 -9.111 6.662 -9.427 1.00 1.45 O ATOM 613 CB GLN A 41 -9.527 6.004 -5.973 1.00 0.48 C ATOM 614 CG GLN A 41 -8.512 6.062 -4.843 1.00 0.74 C ATOM 615 CD GLN A 41 -8.792 7.188 -3.870 1.00 1.06 C ATOM 616 OE1 GLN A 41 -9.940 7.564 -3.657 1.00 1.97 O ATOM 617 NE2 GLN A 41 -7.740 7.728 -3.268 1.00 1.30 N ATOM 0 H GLN A 41 -10.465 8.315 -5.864 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.217 7.239 -7.137 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -10.526 6.145 -5.560 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -9.504 5.010 -6.420 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -8.516 5.113 -4.307 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -7.514 6.188 -5.262 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -6.802 7.384 -3.475 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -7.869 8.487 -2.598 1.00 1.30 H new ATOM 626 N ASN A 42 -10.961 5.896 -8.392 1.00 0.74 N ATOM 627 CA ASN A 42 -11.553 5.337 -9.604 1.00 0.68 C ATOM 628 C ASN A 42 -10.581 4.386 -10.304 1.00 0.53 C ATOM 629 O ASN A 42 -10.001 4.728 -11.336 1.00 0.62 O ATOM 630 CB ASN A 42 -11.965 6.462 -10.558 1.00 0.85 C ATOM 631 CG ASN A 42 -12.691 5.943 -11.784 1.00 1.87 C ATOM 632 OD1 ASN A 42 -12.072 5.615 -12.795 1.00 2.57 O ATOM 633 ND2 ASN A 42 -14.015 5.870 -11.700 1.00 2.66 N ATOM 0 H ASN A 42 -11.526 5.769 -7.552 1.00 0.74 H new ATOM 0 HA ASN A 42 -12.438 4.769 -9.317 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -12.608 7.166 -10.029 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -11.078 7.013 -10.870 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -14.558 5.531 -12.494 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -14.488 6.153 -10.842 1.00 2.66 H new ATOM 640 N PRO A 43 -10.384 3.175 -9.748 1.00 0.41 N ATOM 641 CA PRO A 43 -9.479 2.177 -10.331 1.00 0.40 C ATOM 642 C PRO A 43 -10.032 1.570 -11.617 1.00 0.39 C ATOM 643 O PRO A 43 -11.005 2.069 -12.183 1.00 0.51 O ATOM 644 CB PRO A 43 -9.379 1.110 -9.240 1.00 0.44 C ATOM 645 CG PRO A 43 -10.653 1.229 -8.478 1.00 0.45 C ATOM 646 CD PRO A 43 -11.018 2.689 -8.507 1.00 0.44 C ATOM 0 HA PRO A 43 -8.520 2.613 -10.612 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -9.265 0.114 -9.669 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -8.515 1.281 -8.597 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -11.437 0.622 -8.931 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -10.529 0.878 -7.454 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -12.098 2.833 -8.525 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.641 3.215 -7.630 1.00 0.44 H new ATOM 654 N THR A 44 -9.405 0.489 -12.071 1.00 0.35 N ATOM 655 CA THR A 44 -9.831 -0.188 -13.291 1.00 0.36 C ATOM 656 C THR A 44 -10.930 -1.205 -12.995 1.00 0.32 C ATOM 657 O THR A 44 -11.062 -1.676 -11.865 1.00 0.33 O ATOM 658 CB THR A 44 -8.649 -0.903 -13.977 1.00 0.43 C ATOM 659 OG1 THR A 44 -7.518 -0.025 -14.041 1.00 0.73 O ATOM 660 CG2 THR A 44 -9.022 -1.349 -15.382 1.00 0.69 C ATOM 0 H THR A 44 -8.600 0.063 -11.612 1.00 0.35 H new ATOM 0 HA THR A 44 -10.220 0.577 -13.963 1.00 0.36 H new ATOM 0 HB THR A 44 -8.398 -1.785 -13.387 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.770 -0.486 -14.476 1.00 0.73 H new ATOM 0 HG21 THR A 44 -8.171 -1.850 -15.843 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.866 -2.038 -15.333 1.00 0.69 H new ATOM 0 HG23 THR A 44 -9.298 -0.479 -15.979 1.00 0.69 H new ATOM 668 N GLU A 45 -11.720 -1.542 -14.011 1.00 0.32 N ATOM 669 CA GLU A 45 -12.808 -2.500 -13.847 1.00 0.33 C ATOM 670 C GLU A 45 -12.276 -3.867 -13.420 1.00 0.32 C ATOM 671 O GLU A 45 -12.698 -4.415 -12.402 1.00 0.34 O ATOM 672 CB GLU A 45 -13.599 -2.635 -15.150 1.00 0.40 C ATOM 673 CG GLU A 45 -14.812 -3.544 -15.032 1.00 1.14 C ATOM 674 CD GLU A 45 -15.568 -3.686 -16.338 1.00 1.84 C ATOM 675 OE1 GLU A 45 -16.479 -2.869 -16.589 1.00 2.04 O ATOM 676 OE2 GLU A 45 -15.249 -4.615 -17.110 1.00 2.70 O ATOM 0 H GLU A 45 -11.627 -1.166 -14.955 1.00 0.32 H new ATOM 0 HA GLU A 45 -13.468 -2.127 -13.064 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.926 -1.646 -15.471 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -12.940 -3.021 -15.928 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -14.491 -4.529 -14.694 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -15.484 -3.149 -14.270 1.00 1.14 H new ATOM 683 N ALA A 46 -11.346 -4.407 -14.204 1.00 0.33 N ATOM 684 CA ALA A 46 -10.756 -5.710 -13.913 1.00 0.37 C ATOM 685 C ALA A 46 -10.198 -5.763 -12.496 1.00 0.33 C ATOM 686 O ALA A 46 -10.535 -6.659 -11.722 1.00 0.34 O ATOM 687 CB ALA A 46 -9.661 -6.030 -14.918 1.00 0.46 C ATOM 0 H ALA A 46 -10.985 -3.961 -15.047 1.00 0.33 H new ATOM 0 HA ALA A 46 -11.544 -6.458 -13.993 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -9.230 -7.005 -14.689 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -10.083 -6.047 -15.923 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.884 -5.268 -14.864 1.00 0.46 H new ATOM 693 N GLU A 47 -9.348 -4.796 -12.163 1.00 0.32 N ATOM 694 CA GLU A 47 -8.745 -4.732 -10.836 1.00 0.32 C ATOM 695 C GLU A 47 -9.825 -4.733 -9.767 1.00 0.28 C ATOM 696 O GLU A 47 -9.702 -5.407 -8.746 1.00 0.28 O ATOM 697 CB GLU A 47 -7.877 -3.478 -10.708 1.00 0.37 C ATOM 698 CG GLU A 47 -7.180 -3.354 -9.362 1.00 0.43 C ATOM 699 CD GLU A 47 -6.311 -2.115 -9.270 1.00 1.24 C ATOM 700 OE1 GLU A 47 -6.832 -1.052 -8.873 1.00 2.23 O ATOM 701 OE2 GLU A 47 -5.109 -2.208 -9.596 1.00 1.27 O ATOM 0 H GLU A 47 -9.062 -4.047 -12.793 1.00 0.32 H new ATOM 0 HA GLU A 47 -8.114 -5.610 -10.697 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -7.126 -3.484 -11.498 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -8.500 -2.598 -10.868 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -7.928 -3.329 -8.570 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -6.566 -4.238 -9.192 1.00 0.43 H new ATOM 708 N LEU A 48 -10.888 -3.982 -10.022 1.00 0.29 N ATOM 709 CA LEU A 48 -12.002 -3.892 -9.093 1.00 0.31 C ATOM 710 C LEU A 48 -12.633 -5.263 -8.876 1.00 0.30 C ATOM 711 O LEU A 48 -13.012 -5.613 -7.760 1.00 0.35 O ATOM 712 CB LEU A 48 -13.048 -2.910 -9.623 1.00 0.35 C ATOM 713 CG LEU A 48 -14.141 -2.525 -8.627 1.00 0.65 C ATOM 714 CD1 LEU A 48 -13.538 -1.826 -7.418 1.00 1.34 C ATOM 715 CD2 LEU A 48 -15.178 -1.637 -9.298 1.00 1.36 C ATOM 0 H LEU A 48 -11.001 -3.425 -10.869 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.626 -3.530 -8.136 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -12.539 -2.003 -9.949 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -13.519 -3.346 -10.504 1.00 0.35 H new ATOM 0 HG LEU A 48 -14.635 -3.434 -8.284 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -14.331 -1.559 -6.719 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -12.831 -2.494 -6.927 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -13.020 -0.923 -7.741 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -15.950 -1.371 -8.577 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.697 -0.731 -9.666 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -15.630 -2.173 -10.133 1.00 1.36 H new ATOM 727 N GLN A 49 -12.737 -6.037 -9.952 1.00 0.30 N ATOM 728 CA GLN A 49 -13.317 -7.373 -9.880 1.00 0.35 C ATOM 729 C GLN A 49 -12.390 -8.327 -9.134 1.00 0.35 C ATOM 730 O GLN A 49 -12.845 -9.265 -8.481 1.00 0.38 O ATOM 731 CB GLN A 49 -13.598 -7.907 -11.285 1.00 0.41 C ATOM 732 CG GLN A 49 -14.619 -7.085 -12.055 1.00 0.48 C ATOM 733 CD GLN A 49 -15.977 -7.061 -11.380 1.00 0.78 C ATOM 734 OE1 GLN A 49 -16.370 -8.020 -10.714 1.00 1.22 O ATOM 735 NE2 GLN A 49 -16.701 -5.961 -11.546 1.00 1.19 N ATOM 0 H GLN A 49 -12.427 -5.762 -10.884 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.257 -7.306 -9.332 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.665 -7.933 -11.848 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -13.953 -8.935 -11.210 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -14.252 -6.064 -12.162 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -14.724 -7.492 -13.060 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -16.337 -5.190 -12.106 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -17.622 -5.886 -11.114 1.00 1.19 H new ATOM 744 N ASP A 50 -11.085 -8.080 -9.237 1.00 0.34 N ATOM 745 CA ASP A 50 -10.093 -8.919 -8.571 1.00 0.38 C ATOM 746 C ASP A 50 -10.180 -8.789 -7.051 1.00 0.35 C ATOM 747 O ASP A 50 -10.222 -9.791 -6.337 1.00 0.39 O ATOM 748 CB ASP A 50 -8.683 -8.555 -9.042 1.00 0.43 C ATOM 749 CG ASP A 50 -8.438 -8.944 -10.488 1.00 0.49 C ATOM 750 OD1 ASP A 50 -8.331 -10.157 -10.767 1.00 0.62 O ATOM 751 OD2 ASP A 50 -8.354 -8.037 -11.341 1.00 0.53 O ATOM 0 H ASP A 50 -10.692 -7.307 -9.774 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.306 -9.954 -8.837 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.530 -7.482 -8.926 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -7.951 -9.052 -8.406 1.00 0.43 H new ATOM 756 N LEU A 51 -10.206 -7.552 -6.558 1.00 0.32 N ATOM 757 CA LEU A 51 -10.279 -7.306 -5.121 1.00 0.33 C ATOM 758 C LEU A 51 -11.653 -7.668 -4.563 1.00 0.32 C ATOM 759 O LEU A 51 -11.759 -8.204 -3.462 1.00 0.35 O ATOM 760 CB LEU A 51 -9.954 -5.848 -4.806 1.00 0.36 C ATOM 761 CG LEU A 51 -10.746 -4.820 -5.609 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.766 -4.117 -4.726 1.00 0.39 C ATOM 763 CD2 LEU A 51 -9.801 -3.817 -6.248 1.00 0.31 C ATOM 0 H LEU A 51 -10.178 -6.708 -7.131 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.538 -7.945 -4.641 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -10.133 -5.673 -3.745 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.891 -5.683 -4.982 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.289 -5.338 -6.400 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.319 -3.388 -5.318 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.458 -4.851 -4.314 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.252 -3.607 -3.911 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.376 -3.088 -6.819 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.235 -3.304 -5.471 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -9.113 -4.338 -6.914 1.00 0.31 H new ATOM 775 N ILE A 52 -12.703 -7.366 -5.321 1.00 0.31 N ATOM 776 CA ILE A 52 -14.062 -7.676 -4.887 1.00 0.34 C ATOM 777 C ILE A 52 -14.271 -9.185 -4.811 1.00 0.37 C ATOM 778 O ILE A 52 -15.026 -9.674 -3.971 1.00 0.41 O ATOM 779 CB ILE A 52 -15.116 -7.049 -5.826 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.123 -5.526 -5.664 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.502 -7.622 -5.543 1.00 0.50 C ATOM 782 CD1 ILE A 52 -16.036 -4.812 -6.636 1.00 0.50 C ATOM 0 H ILE A 52 -12.641 -6.911 -6.232 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.191 -7.245 -3.894 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.852 -7.293 -6.855 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.427 -5.280 -4.647 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -14.107 -5.152 -5.792 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -17.228 -7.166 -6.216 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.489 -8.701 -5.700 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.780 -7.409 -4.511 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -15.987 -3.738 -6.459 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.720 -5.027 -7.657 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -17.060 -5.157 -6.493 1.00 0.50 H new ATOM 794 N ALA A 53 -13.592 -9.918 -5.689 1.00 0.41 N ATOM 795 CA ALA A 53 -13.700 -11.372 -5.715 1.00 0.50 C ATOM 796 C ALA A 53 -13.065 -11.985 -4.473 1.00 0.49 C ATOM 797 O ALA A 53 -13.681 -12.805 -3.792 1.00 0.58 O ATOM 798 CB ALA A 53 -13.056 -11.930 -6.975 1.00 0.59 C ATOM 0 H ALA A 53 -12.962 -9.529 -6.391 1.00 0.41 H new ATOM 0 HA ALA A 53 -14.758 -11.636 -5.720 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -13.145 -13.016 -6.979 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -13.558 -11.522 -7.852 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.002 -11.652 -6.999 1.00 0.59 H new ATOM 804 N GLU A 54 -11.829 -11.587 -4.183 1.00 0.45 N ATOM 805 CA GLU A 54 -11.124 -12.096 -3.015 1.00 0.51 C ATOM 806 C GLU A 54 -11.823 -11.646 -1.739 1.00 0.50 C ATOM 807 O GLU A 54 -11.828 -12.360 -0.735 1.00 0.59 O ATOM 808 CB GLU A 54 -9.666 -11.628 -3.013 1.00 0.57 C ATOM 809 CG GLU A 54 -9.506 -10.121 -2.895 1.00 1.07 C ATOM 810 CD GLU A 54 -8.053 -9.688 -2.882 1.00 1.77 C ATOM 811 OE1 GLU A 54 -7.449 -9.666 -1.789 1.00 2.54 O ATOM 812 OE2 GLU A 54 -7.518 -9.371 -3.965 1.00 1.99 O ATOM 0 H GLU A 54 -11.299 -10.916 -4.739 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.134 -13.185 -3.057 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -9.142 -12.106 -2.185 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -9.185 -11.964 -3.931 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -10.017 -9.639 -3.728 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -9.992 -9.778 -1.981 1.00 1.07 H new ATOM 819 N ALA A 55 -12.412 -10.455 -1.785 1.00 0.43 N ATOM 820 CA ALA A 55 -13.126 -9.913 -0.636 1.00 0.47 C ATOM 821 C ALA A 55 -14.519 -10.520 -0.528 1.00 0.46 C ATOM 822 O ALA A 55 -15.178 -10.406 0.505 1.00 0.53 O ATOM 823 CB ALA A 55 -13.213 -8.398 -0.733 1.00 0.50 C ATOM 0 H ALA A 55 -12.409 -9.848 -2.605 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.571 -10.174 0.265 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -13.749 -8.008 0.132 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.208 -7.977 -0.757 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -13.744 -8.122 -1.644 1.00 0.50 H new ATOM 829 N GLU A 56 -14.964 -11.164 -1.604 1.00 0.41 N ATOM 830 CA GLU A 56 -16.279 -11.793 -1.630 1.00 0.44 C ATOM 831 C GLU A 56 -16.312 -13.020 -0.723 1.00 0.49 C ATOM 832 O GLU A 56 -17.302 -13.270 -0.036 1.00 0.63 O ATOM 833 CB GLU A 56 -16.650 -12.193 -3.061 1.00 0.47 C ATOM 834 CG GLU A 56 -18.012 -12.856 -3.173 1.00 0.52 C ATOM 835 CD GLU A 56 -18.321 -13.316 -4.585 1.00 1.26 C ATOM 836 OE1 GLU A 56 -17.913 -14.439 -4.946 1.00 1.95 O ATOM 837 OE2 GLU A 56 -18.971 -12.553 -5.329 1.00 1.66 O ATOM 0 H GLU A 56 -14.432 -11.263 -2.469 1.00 0.41 H new ATOM 0 HA GLU A 56 -17.007 -11.070 -1.262 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -16.634 -11.305 -3.693 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -15.891 -12.873 -3.448 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -18.052 -13.712 -2.499 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.781 -12.156 -2.846 1.00 0.52 H new ATOM 844 N ASN A 57 -15.222 -13.783 -0.729 1.00 0.53 N ATOM 845 CA ASN A 57 -15.124 -14.985 0.093 1.00 0.68 C ATOM 846 C ASN A 57 -14.713 -14.638 1.521 1.00 0.79 C ATOM 847 O ASN A 57 -14.970 -15.400 2.453 1.00 1.19 O ATOM 848 CB ASN A 57 -14.117 -15.962 -0.518 1.00 0.87 C ATOM 849 CG ASN A 57 -13.968 -17.228 0.302 1.00 1.67 C ATOM 850 OD1 ASN A 57 -14.701 -18.198 0.106 1.00 2.38 O ATOM 851 ND2 ASN A 57 -13.016 -17.225 1.227 1.00 2.48 N ATOM 0 H ASN A 57 -14.395 -13.590 -1.294 1.00 0.53 H new ATOM 0 HA ASN A 57 -16.106 -15.456 0.123 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -14.434 -16.222 -1.528 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -13.147 -15.472 -0.605 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -12.869 -18.049 1.810 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -12.432 -16.399 1.355 1.00 2.48 H new ATOM 858 N ASN A 58 -14.075 -13.483 1.684 1.00 0.84 N ATOM 859 CA ASN A 58 -13.627 -13.037 2.999 1.00 1.03 C ATOM 860 C ASN A 58 -14.691 -12.181 3.678 1.00 1.09 C ATOM 861 O ASN A 58 -15.308 -11.324 3.045 1.00 1.84 O ATOM 862 CB ASN A 58 -12.320 -12.249 2.873 1.00 1.12 C ATOM 863 CG ASN A 58 -11.747 -11.861 4.221 1.00 1.81 C ATOM 864 OD1 ASN A 58 -12.030 -10.781 4.743 1.00 2.48 O ATOM 865 ND2 ASN A 58 -10.935 -12.741 4.794 1.00 2.14 N ATOM 0 H ASN A 58 -13.857 -12.840 0.923 1.00 0.84 H new ATOM 0 HA ASN A 58 -13.454 -13.919 3.616 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -11.589 -12.848 2.329 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -12.497 -11.349 2.284 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -10.518 -12.535 5.702 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -10.728 -13.623 4.326 1.00 2.14 H new ATOM 872 N ASN A 59 -14.902 -12.429 4.968 1.00 1.04 N ATOM 873 CA ASN A 59 -15.889 -11.690 5.751 1.00 1.01 C ATOM 874 C ASN A 59 -17.305 -11.934 5.234 1.00 0.88 C ATOM 875 O ASN A 59 -18.255 -11.299 5.689 1.00 0.91 O ATOM 876 CB ASN A 59 -15.575 -10.192 5.738 1.00 1.08 C ATOM 877 CG ASN A 59 -14.250 -9.876 6.405 1.00 1.31 C ATOM 878 OD1 ASN A 59 -13.832 -10.564 7.336 1.00 2.05 O ATOM 879 ND2 ASN A 59 -13.582 -8.834 5.928 1.00 1.51 N ATOM 0 H ASN A 59 -14.399 -13.141 5.497 1.00 1.04 H new ATOM 0 HA ASN A 59 -15.835 -12.054 6.777 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -15.555 -9.836 4.708 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -16.373 -9.651 6.246 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -12.683 -8.575 6.335 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -13.967 -8.292 5.154 1.00 1.51 H new ATOM 886 N ASN A 60 -17.429 -12.854 4.276 1.00 0.80 N ATOM 887 CA ASN A 60 -18.722 -13.213 3.689 1.00 0.76 C ATOM 888 C ASN A 60 -19.288 -12.105 2.799 1.00 0.74 C ATOM 889 O ASN A 60 -20.050 -12.382 1.873 1.00 1.42 O ATOM 890 CB ASN A 60 -19.726 -13.569 4.790 1.00 0.86 C ATOM 891 CG ASN A 60 -19.228 -14.696 5.673 1.00 0.95 C ATOM 892 OD1 ASN A 60 -19.544 -15.863 5.447 1.00 1.47 O ATOM 893 ND2 ASN A 60 -18.438 -14.349 6.683 1.00 1.19 N ATOM 0 H ASN A 60 -16.640 -13.370 3.886 1.00 0.80 H new ATOM 0 HA ASN A 60 -18.554 -14.083 3.054 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -19.920 -12.688 5.402 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -20.674 -13.857 4.336 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -18.067 -15.064 7.309 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -18.202 -13.368 6.832 1.00 1.19 H new ATOM 900 N GLY A 61 -18.919 -10.857 3.074 1.00 0.43 N ATOM 901 CA GLY A 61 -19.417 -9.752 2.273 1.00 0.40 C ATOM 902 C GLY A 61 -19.288 -8.412 2.970 1.00 0.32 C ATOM 903 O GLY A 61 -20.145 -7.541 2.813 1.00 0.38 O ATOM 0 H GLY A 61 -18.289 -10.592 3.831 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -18.872 -9.719 1.330 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -20.464 -9.930 2.030 1.00 0.40 H new ATOM 907 N GLN A 62 -18.221 -8.244 3.744 1.00 0.36 N ATOM 908 CA GLN A 62 -17.988 -6.995 4.458 1.00 0.29 C ATOM 909 C GLN A 62 -16.506 -6.632 4.464 1.00 0.31 C ATOM 910 O GLN A 62 -15.642 -7.500 4.349 1.00 0.38 O ATOM 911 CB GLN A 62 -18.513 -7.085 5.895 1.00 0.27 C ATOM 912 CG GLN A 62 -19.983 -6.720 6.037 1.00 0.27 C ATOM 913 CD GLN A 62 -20.210 -5.219 6.094 1.00 0.23 C ATOM 914 OE1 GLN A 62 -21.157 -4.743 6.724 1.00 0.25 O ATOM 915 NE2 GLN A 62 -19.341 -4.463 5.436 1.00 0.21 N ATOM 0 H GLN A 62 -17.506 -8.956 3.892 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.532 -6.209 3.934 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.363 -8.100 6.263 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -17.922 -6.425 6.530 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.540 -7.136 5.197 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.382 -7.179 6.942 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -18.571 -4.897 4.927 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -19.443 -3.448 5.439 1.00 0.21 H new ATOM 924 N LEU A 63 -16.226 -5.340 4.597 1.00 0.30 N ATOM 925 CA LEU A 63 -14.854 -4.842 4.622 1.00 0.36 C ATOM 926 C LEU A 63 -14.633 -3.962 5.844 1.00 0.31 C ATOM 927 O LEU A 63 -15.569 -3.353 6.351 1.00 0.27 O ATOM 928 CB LEU A 63 -14.558 -4.036 3.355 1.00 0.45 C ATOM 929 CG LEU A 63 -14.934 -4.724 2.045 1.00 0.79 C ATOM 930 CD1 LEU A 63 -14.935 -3.719 0.905 1.00 1.41 C ATOM 931 CD2 LEU A 63 -13.978 -5.869 1.749 1.00 1.43 C ATOM 0 H LEU A 63 -16.936 -4.614 4.690 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.180 -5.698 4.669 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -15.091 -3.087 3.414 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -13.493 -3.803 3.332 1.00 0.45 H new ATOM 0 HG LEU A 63 -15.938 -5.136 2.145 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -15.205 -4.222 -0.023 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -15.659 -2.932 1.115 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -13.942 -3.281 0.805 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -14.262 -6.347 0.812 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -12.962 -5.483 1.666 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -14.024 -6.599 2.557 1.00 1.43 H new ATOM 943 N ASN A 64 -13.394 -3.878 6.299 1.00 0.33 N ATOM 944 CA ASN A 64 -13.066 -3.067 7.463 1.00 0.31 C ATOM 945 C ASN A 64 -12.187 -1.895 7.058 1.00 0.31 C ATOM 946 O ASN A 64 -11.537 -1.938 6.015 1.00 0.33 O ATOM 947 CB ASN A 64 -12.342 -3.898 8.525 1.00 0.34 C ATOM 948 CG ASN A 64 -12.712 -5.367 8.487 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.842 -5.730 8.158 1.00 1.19 O ATOM 950 ND2 ASN A 64 -11.753 -6.220 8.826 1.00 0.99 N ATOM 0 H ASN A 64 -12.598 -4.360 5.882 1.00 0.33 H new ATOM 0 HA ASN A 64 -14.000 -2.695 7.884 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.266 -3.797 8.385 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -12.574 -3.497 9.512 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -11.938 -7.223 8.821 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -10.832 -5.872 9.092 1.00 0.99 H new ATOM 957 N PHE A 65 -12.191 -0.839 7.864 1.00 0.30 N ATOM 958 CA PHE A 65 -11.374 0.337 7.581 1.00 0.30 C ATOM 959 C PHE A 65 -9.970 -0.080 7.153 1.00 0.29 C ATOM 960 O PHE A 65 -9.354 0.561 6.303 1.00 0.31 O ATOM 961 CB PHE A 65 -11.298 1.240 8.816 1.00 0.32 C ATOM 962 CG PHE A 65 -10.328 2.381 8.672 1.00 0.33 C ATOM 963 CD1 PHE A 65 -10.643 3.481 7.890 1.00 0.37 C ATOM 964 CD2 PHE A 65 -9.105 2.354 9.321 1.00 0.35 C ATOM 965 CE1 PHE A 65 -9.756 4.531 7.757 1.00 0.40 C ATOM 966 CE2 PHE A 65 -8.213 3.402 9.192 1.00 0.38 C ATOM 967 CZ PHE A 65 -8.532 4.486 8.405 1.00 0.39 C ATOM 0 H PHE A 65 -12.748 -0.772 8.716 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.839 0.892 6.766 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.290 1.642 9.023 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -11.012 0.638 9.678 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -11.594 3.517 7.379 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -8.845 1.504 9.935 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -10.016 5.385 7.149 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -7.265 3.371 9.709 1.00 0.38 H new ATOM 0 HZ PHE A 65 -7.830 5.299 8.293 1.00 0.39 H new ATOM 977 N THR A 66 -9.480 -1.170 7.737 1.00 0.31 N ATOM 978 CA THR A 66 -8.152 -1.679 7.422 1.00 0.32 C ATOM 979 C THR A 66 -8.127 -2.417 6.090 1.00 0.31 C ATOM 980 O THR A 66 -7.124 -2.391 5.380 1.00 0.30 O ATOM 981 CB THR A 66 -7.634 -2.616 8.524 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.729 -3.137 9.286 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.675 -1.873 9.434 1.00 0.81 C ATOM 0 H THR A 66 -9.986 -1.718 8.433 1.00 0.31 H new ATOM 0 HA THR A 66 -7.500 -0.808 7.353 1.00 0.32 H new ATOM 0 HB THR A 66 -7.105 -3.446 8.056 1.00 0.40 H new ATOM 0 HG1 THR A 66 -8.387 -3.734 9.984 1.00 0.56 H new ATOM 0 HG21 THR A 66 -6.315 -2.547 10.211 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.830 -1.507 8.851 1.00 0.81 H new ATOM 0 HG23 THR A 66 -7.190 -1.030 9.895 1.00 0.81 H new ATOM 991 N GLU A 67 -9.224 -3.089 5.763 1.00 0.34 N ATOM 992 CA GLU A 67 -9.313 -3.816 4.503 1.00 0.37 C ATOM 993 C GLU A 67 -9.252 -2.843 3.333 1.00 0.32 C ATOM 994 O GLU A 67 -8.467 -3.021 2.399 1.00 0.35 O ATOM 995 CB GLU A 67 -10.606 -4.633 4.443 1.00 0.42 C ATOM 996 CG GLU A 67 -10.723 -5.668 5.551 1.00 0.49 C ATOM 997 CD GLU A 67 -9.620 -6.708 5.496 1.00 0.88 C ATOM 998 OE1 GLU A 67 -8.559 -6.479 6.114 1.00 1.21 O ATOM 999 OE2 GLU A 67 -9.819 -7.750 4.838 1.00 1.36 O ATOM 0 H GLU A 67 -10.058 -3.146 6.347 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.468 -4.502 4.438 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.458 -3.955 4.499 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.663 -5.137 3.478 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.695 -5.165 6.518 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.690 -6.165 5.478 1.00 0.49 H new ATOM 1006 N PHE A 68 -10.082 -1.806 3.396 1.00 0.29 N ATOM 1007 CA PHE A 68 -10.122 -0.796 2.349 1.00 0.27 C ATOM 1008 C PHE A 68 -8.797 -0.037 2.286 1.00 0.26 C ATOM 1009 O PHE A 68 -8.178 0.050 1.227 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.279 0.177 2.587 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.301 1.346 1.639 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.328 1.141 0.269 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.296 2.649 2.117 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -11.349 2.209 -0.604 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -11.316 3.721 1.246 1.00 0.45 C ATOM 1016 CZ PHE A 68 -11.342 3.510 -0.105 1.00 0.51 C ATOM 0 H PHE A 68 -10.735 -1.645 4.162 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.280 -1.298 1.395 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.220 -0.366 2.500 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.220 0.552 3.609 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.333 0.133 -0.120 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.276 2.827 3.182 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -11.371 2.037 -1.670 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -11.311 4.729 1.633 1.00 0.45 H new ATOM 0 HZ PHE A 68 -11.357 4.350 -0.784 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.368 0.505 3.427 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.113 1.248 3.493 1.00 0.23 C ATOM 1028 C CYS A 69 -5.964 0.396 2.977 1.00 0.27 C ATOM 1029 O CYS A 69 -5.088 0.884 2.262 1.00 0.31 O ATOM 1030 CB CYS A 69 -6.815 1.693 4.926 1.00 0.23 C ATOM 1031 SG CYS A 69 -6.266 3.408 5.069 1.00 0.75 S ATOM 0 H CYS A 69 -8.870 0.443 4.313 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.216 2.133 2.865 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -7.712 1.559 5.530 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -6.048 1.042 5.345 1.00 0.23 H new ATOM 0 HG CYS A 69 -7.210 4.202 4.657 1.00 0.75 H new ATOM 1037 N GLY A 70 -5.971 -0.880 3.354 1.00 0.30 N ATOM 1038 CA GLY A 70 -4.933 -1.790 2.912 1.00 0.35 C ATOM 1039 C GLY A 70 -4.788 -1.772 1.408 1.00 0.37 C ATOM 1040 O GLY A 70 -3.676 -1.692 0.881 1.00 0.41 O ATOM 0 H GLY A 70 -6.678 -1.298 3.958 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -3.985 -1.515 3.374 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -5.168 -2.801 3.244 1.00 0.35 H new ATOM 1044 N ILE A 71 -5.917 -1.844 0.712 1.00 0.37 N ATOM 1045 CA ILE A 71 -5.905 -1.813 -0.740 1.00 0.41 C ATOM 1046 C ILE A 71 -5.404 -0.472 -1.233 1.00 0.40 C ATOM 1047 O ILE A 71 -4.693 -0.392 -2.229 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.291 -2.072 -1.339 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -7.743 -3.491 -1.009 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.250 -1.844 -2.844 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -9.231 -3.603 -0.764 1.00 0.51 C ATOM 0 H ILE A 71 -6.844 -1.924 1.129 1.00 0.37 H new ATOM 0 HA ILE A 71 -5.237 -2.611 -1.065 1.00 0.41 H new ATOM 0 HB ILE A 71 -8.012 -1.378 -0.907 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -7.466 -4.153 -1.829 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -7.209 -3.839 -0.125 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.237 -2.029 -3.267 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -6.955 -0.815 -3.048 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -6.528 -2.525 -3.296 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -9.485 -4.638 -0.535 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -9.510 -2.966 0.075 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.771 -3.286 -1.656 1.00 0.51 H new ATOM 1063 N MET A 72 -5.799 0.585 -0.544 1.00 0.38 N ATOM 1064 CA MET A 72 -5.368 1.919 -0.916 1.00 0.41 C ATOM 1065 C MET A 72 -3.855 2.021 -0.805 1.00 0.45 C ATOM 1066 O MET A 72 -3.216 2.767 -1.538 1.00 0.52 O ATOM 1067 CB MET A 72 -6.024 2.962 -0.032 1.00 0.39 C ATOM 1068 CG MET A 72 -7.534 2.861 -0.031 1.00 0.41 C ATOM 1069 SD MET A 72 -8.279 3.440 -1.568 1.00 1.01 S ATOM 1070 CE MET A 72 -8.119 5.213 -1.378 1.00 0.58 C ATOM 0 H MET A 72 -6.413 0.545 0.270 1.00 0.38 H new ATOM 0 HA MET A 72 -5.668 2.105 -1.947 1.00 0.41 H new ATOM 0 HB2 MET A 72 -5.656 2.851 0.988 1.00 0.39 H new ATOM 0 HB3 MET A 72 -5.731 3.956 -0.371 1.00 0.39 H new ATOM 0 HG2 MET A 72 -7.823 1.824 0.139 1.00 0.41 H new ATOM 0 HG3 MET A 72 -7.931 3.443 0.801 1.00 0.41 H new ATOM 0 HE1 MET A 72 -9.066 5.693 -1.627 1.00 0.58 H new ATOM 0 HE2 MET A 72 -7.854 5.446 -0.347 1.00 0.58 H new ATOM 0 HE3 MET A 72 -7.339 5.581 -2.045 1.00 0.58 H new ATOM 1080 N ALA A 73 -3.291 1.258 0.123 1.00 0.46 N ATOM 1081 CA ALA A 73 -1.852 1.250 0.329 1.00 0.53 C ATOM 1082 C ALA A 73 -1.150 0.628 -0.872 1.00 0.59 C ATOM 1083 O ALA A 73 -0.135 1.143 -1.342 1.00 0.70 O ATOM 1084 CB ALA A 73 -1.504 0.502 1.606 1.00 0.54 C ATOM 0 H ALA A 73 -3.810 0.637 0.744 1.00 0.46 H new ATOM 0 HA ALA A 73 -1.507 2.279 0.432 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -0.423 0.505 1.746 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -1.981 0.991 2.455 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -1.858 -0.526 1.533 1.00 0.54 H new ATOM 1090 N LYS A 74 -1.701 -0.477 -1.371 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.123 -1.156 -2.526 1.00 0.62 C ATOM 1092 C LYS A 74 -1.432 -0.395 -3.811 1.00 0.63 C ATOM 1093 O LYS A 74 -0.656 -0.431 -4.767 1.00 0.70 O ATOM 1094 CB LYS A 74 -1.633 -2.599 -2.627 1.00 0.63 C ATOM 1095 CG LYS A 74 -3.130 -2.730 -2.834 1.00 0.65 C ATOM 1096 CD LYS A 74 -3.526 -4.193 -2.996 1.00 0.74 C ATOM 1097 CE LYS A 74 -5.023 -4.357 -3.191 1.00 0.73 C ATOM 1098 NZ LYS A 74 -5.398 -5.774 -3.452 1.00 1.38 N ATOM 0 H LYS A 74 -2.541 -0.918 -0.996 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.042 -1.183 -2.390 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -1.121 -3.094 -3.453 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.358 -3.132 -1.717 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -3.659 -2.297 -1.985 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -3.431 -2.167 -3.718 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -3.000 -4.619 -3.850 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -3.211 -4.754 -2.116 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -5.546 -4.001 -2.303 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -5.351 -3.736 -4.024 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -6.428 -5.843 -3.579 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -4.920 -6.107 -4.313 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -5.109 -6.364 -2.646 1.00 1.38 H new ATOM 1112 N GLN A 75 -2.568 0.296 -3.828 1.00 0.59 N ATOM 1113 CA GLN A 75 -2.972 1.076 -4.993 1.00 0.63 C ATOM 1114 C GLN A 75 -2.122 2.334 -5.123 1.00 0.67 C ATOM 1115 O GLN A 75 -1.501 2.568 -6.159 1.00 0.79 O ATOM 1116 CB GLN A 75 -4.445 1.456 -4.896 1.00 0.63 C ATOM 1117 CG GLN A 75 -4.935 2.289 -6.071 1.00 1.04 C ATOM 1118 CD GLN A 75 -6.179 3.094 -5.746 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -6.401 4.165 -6.310 1.00 1.98 O ATOM 1120 NE2 GLN A 75 -6.996 2.584 -4.832 1.00 1.54 N ATOM 0 H GLN A 75 -3.225 0.332 -3.048 1.00 0.59 H new ATOM 0 HA GLN A 75 -2.822 0.460 -5.879 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -5.043 0.547 -4.831 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -4.609 2.012 -3.973 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -4.141 2.967 -6.385 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -5.144 1.631 -6.914 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -6.773 1.693 -4.389 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -7.847 3.084 -4.573 1.00 1.54 H new ATOM 1129 N MET A 76 -2.101 3.146 -4.068 1.00 0.65 N ATOM 1130 CA MET A 76 -1.324 4.364 -4.058 1.00 0.73 C ATOM 1131 C MET A 76 0.154 4.060 -4.294 1.00 0.89 C ATOM 1132 O MET A 76 0.878 4.861 -4.883 1.00 1.06 O ATOM 1133 CB MET A 76 -1.500 5.074 -2.723 1.00 0.76 C ATOM 1134 CG MET A 76 -2.922 5.543 -2.467 1.00 0.80 C ATOM 1135 SD MET A 76 -3.024 6.755 -1.138 1.00 1.20 S ATOM 1136 CE MET A 76 -4.795 6.984 -1.033 1.00 0.75 C ATOM 0 H MET A 76 -2.620 2.972 -3.207 1.00 0.65 H new ATOM 0 HA MET A 76 -1.677 5.010 -4.862 1.00 0.73 H new ATOM 0 HB2 MET A 76 -1.198 4.401 -1.920 1.00 0.76 H new ATOM 0 HB3 MET A 76 -0.831 5.934 -2.687 1.00 0.76 H new ATOM 0 HG2 MET A 76 -3.328 5.977 -3.381 1.00 0.80 H new ATOM 0 HG3 MET A 76 -3.545 4.684 -2.218 1.00 0.80 H new ATOM 0 HE1 MET A 76 -5.011 7.980 -0.647 1.00 0.75 H new ATOM 0 HE2 MET A 76 -5.235 6.875 -2.024 1.00 0.75 H new ATOM 0 HE3 MET A 76 -5.220 6.236 -0.363 1.00 0.75 H new ATOM 1211 N THR A 81 5.808 1.447 -7.055 1.00 5.18 N ATOM 1212 CA THR A 81 5.881 -0.018 -6.974 1.00 6.15 C ATOM 1213 C THR A 81 7.311 -0.501 -6.750 1.00 6.80 C ATOM 1214 O THR A 81 8.010 -0.867 -7.692 1.00 7.13 O ATOM 1215 CB THR A 81 5.288 -0.701 -8.228 1.00 6.60 C ATOM 1216 OG1 THR A 81 5.560 -2.107 -8.193 1.00 7.29 O ATOM 1217 CG2 THR A 81 5.845 -0.106 -9.515 1.00 6.89 C ATOM 0 HA THR A 81 5.278 -0.304 -6.113 1.00 6.15 H new ATOM 0 HB THR A 81 4.212 -0.530 -8.217 1.00 6.60 H new ATOM 0 HG1 THR A 81 5.180 -2.534 -8.989 1.00 7.29 H new ATOM 0 HG21 THR A 81 5.403 -0.614 -10.372 1.00 6.89 H new ATOM 0 HG22 THR A 81 5.604 0.956 -9.559 1.00 6.89 H new ATOM 0 HG23 THR A 81 6.927 -0.234 -9.536 1.00 6.89 H new ATOM 1225 N GLU A 82 7.733 -0.513 -5.487 1.00 7.25 N ATOM 1226 CA GLU A 82 9.087 -0.929 -5.130 1.00 8.05 C ATOM 1227 C GLU A 82 9.234 -2.451 -5.087 1.00 8.92 C ATOM 1228 O GLU A 82 10.352 -2.967 -5.089 1.00 9.53 O ATOM 1229 CB GLU A 82 9.478 -0.335 -3.775 1.00 8.64 C ATOM 1230 CG GLU A 82 8.539 -0.726 -2.646 1.00 8.69 C ATOM 1231 CD GLU A 82 8.954 -0.135 -1.313 1.00 9.34 C ATOM 1232 OE1 GLU A 82 8.560 1.015 -1.026 1.00 9.74 O ATOM 1233 OE2 GLU A 82 9.671 -0.823 -0.557 1.00 9.63 O ATOM 0 H GLU A 82 7.155 -0.239 -4.693 1.00 7.25 H new ATOM 0 HA GLU A 82 9.755 -0.555 -5.906 1.00 8.05 H new ATOM 0 HB2 GLU A 82 10.489 -0.658 -3.524 1.00 8.64 H new ATOM 0 HB3 GLU A 82 9.501 0.752 -3.857 1.00 8.64 H new ATOM 0 HG2 GLU A 82 7.529 -0.395 -2.887 1.00 8.69 H new ATOM 0 HG3 GLU A 82 8.508 -1.812 -2.564 1.00 8.69 H new ATOM 1240 N GLU A 83 8.113 -3.164 -5.045 1.00 9.15 N ATOM 1241 CA GLU A 83 8.146 -4.625 -4.998 1.00 10.17 C ATOM 1242 C GLU A 83 8.856 -5.196 -6.224 1.00 10.27 C ATOM 1243 O GLU A 83 9.828 -5.948 -6.103 1.00 11.05 O ATOM 1244 CB GLU A 83 6.725 -5.185 -4.914 1.00 10.55 C ATOM 1245 CG GLU A 83 5.975 -4.764 -3.661 1.00 10.83 C ATOM 1246 CD GLU A 83 4.558 -5.304 -3.621 1.00 11.60 C ATOM 1247 OE1 GLU A 83 4.375 -6.454 -3.171 1.00 12.11 O ATOM 1248 OE2 GLU A 83 3.634 -4.575 -4.039 1.00 11.85 O ATOM 0 H GLU A 83 7.177 -2.760 -5.042 1.00 9.15 H new ATOM 0 HA GLU A 83 8.701 -4.921 -4.108 1.00 10.17 H new ATOM 0 HB2 GLU A 83 6.163 -4.859 -5.790 1.00 10.55 H new ATOM 0 HB3 GLU A 83 6.770 -6.273 -4.951 1.00 10.55 H new ATOM 0 HG2 GLU A 83 6.518 -5.113 -2.783 1.00 10.83 H new ATOM 0 HG3 GLU A 83 5.947 -3.676 -3.607 1.00 10.83 H new ATOM 1255 N GLU A 84 8.370 -4.825 -7.403 1.00 9.63 N ATOM 1256 CA GLU A 84 8.952 -5.296 -8.654 1.00 9.95 C ATOM 1257 C GLU A 84 10.346 -4.712 -8.849 1.00 9.87 C ATOM 1258 O GLU A 84 11.126 -5.194 -9.673 1.00 10.51 O ATOM 1259 CB GLU A 84 8.053 -4.915 -9.831 1.00 9.47 C ATOM 1260 CG GLU A 84 8.478 -5.534 -11.153 1.00 9.88 C ATOM 1261 CD GLU A 84 8.400 -7.048 -11.139 1.00 10.40 C ATOM 1262 OE1 GLU A 84 7.295 -7.589 -11.357 1.00 10.49 O ATOM 1263 OE2 GLU A 84 9.445 -7.695 -10.911 1.00 10.87 O ATOM 0 H GLU A 84 7.573 -4.199 -7.519 1.00 9.63 H new ATOM 0 HA GLU A 84 9.034 -6.382 -8.609 1.00 9.95 H new ATOM 0 HB2 GLU A 84 7.031 -5.221 -9.609 1.00 9.47 H new ATOM 0 HB3 GLU A 84 8.046 -3.830 -9.934 1.00 9.47 H new ATOM 0 HG2 GLU A 84 7.844 -5.148 -11.951 1.00 9.88 H new ATOM 0 HG3 GLU A 84 9.499 -5.228 -11.382 1.00 9.88 H new ATOM 1270 N MET A 85 10.657 -3.672 -8.081 1.00 9.31 N ATOM 1271 CA MET A 85 11.953 -3.019 -8.168 1.00 9.45 C ATOM 1272 C MET A 85 12.994 -3.808 -7.392 1.00 10.49 C ATOM 1273 O MET A 85 14.161 -3.868 -7.778 1.00 11.09 O ATOM 1274 CB MET A 85 11.861 -1.594 -7.629 1.00 8.75 C ATOM 1275 CG MET A 85 10.890 -0.723 -8.402 1.00 7.71 C ATOM 1276 SD MET A 85 10.688 0.911 -7.672 1.00 7.19 S ATOM 1277 CE MET A 85 10.888 1.944 -9.118 1.00 6.73 C ATOM 0 H MET A 85 10.026 -3.265 -7.391 1.00 9.31 H new ATOM 0 HA MET A 85 12.255 -2.980 -9.215 1.00 9.45 H new ATOM 0 HB2 MET A 85 11.555 -1.627 -6.583 1.00 8.75 H new ATOM 0 HB3 MET A 85 12.850 -1.137 -7.658 1.00 8.75 H new ATOM 0 HG2 MET A 85 11.241 -0.617 -9.428 1.00 7.71 H new ATOM 0 HG3 MET A 85 9.920 -1.219 -8.447 1.00 7.71 H new ATOM 0 HE1 MET A 85 10.421 2.913 -8.940 1.00 6.73 H new ATOM 0 HE2 MET A 85 11.950 2.085 -9.321 1.00 6.73 H new ATOM 0 HE3 MET A 85 10.415 1.465 -9.975 1.00 6.73 H new ATOM 1287 N ARG A 86 12.559 -4.411 -6.293 1.00 10.82 N ATOM 1288 CA ARG A 86 13.447 -5.208 -5.464 1.00 11.88 C ATOM 1289 C ARG A 86 13.850 -6.471 -6.205 1.00 12.66 C ATOM 1290 O ARG A 86 15.027 -6.833 -6.246 1.00 13.43 O ATOM 1291 CB ARG A 86 12.767 -5.567 -4.143 1.00 12.21 C ATOM 1292 CG ARG A 86 13.744 -5.729 -2.995 1.00 13.16 C ATOM 1293 CD ARG A 86 13.031 -6.097 -1.705 1.00 13.63 C ATOM 1294 NE ARG A 86 13.957 -6.204 -0.580 1.00 14.25 N ATOM 1295 CZ ARG A 86 13.571 -6.407 0.676 1.00 14.86 C ATOM 1296 NH1 ARG A 86 12.283 -6.526 0.967 1.00 14.96 N ATOM 1297 NH2 ARG A 86 14.474 -6.490 1.643 1.00 15.52 N ATOM 0 H ARG A 86 11.597 -4.362 -5.957 1.00 10.82 H new ATOM 0 HA ARG A 86 14.340 -4.623 -5.245 1.00 11.88 H new ATOM 0 HB2 ARG A 86 12.045 -4.791 -3.891 1.00 12.21 H new ATOM 0 HB3 ARG A 86 12.208 -6.494 -4.270 1.00 12.21 H new ATOM 0 HG2 ARG A 86 14.473 -6.501 -3.242 1.00 13.16 H new ATOM 0 HG3 ARG A 86 14.298 -4.801 -2.854 1.00 13.16 H new ATOM 0 HD2 ARG A 86 12.274 -5.345 -1.482 1.00 13.63 H new ATOM 0 HD3 ARG A 86 12.509 -7.045 -1.837 1.00 13.63 H new ATOM 0 HE ARG A 86 14.956 -6.118 -0.769 1.00 14.25 H new ATOM 0 HH11 ARG A 86 11.585 -6.462 0.226 1.00 14.96 H new ATOM 0 HH12 ARG A 86 11.990 -6.682 1.932 1.00 14.96 H new ATOM 0 HH21 ARG A 86 15.466 -6.398 1.424 1.00 15.52 H new ATOM 0 HH22 ARG A 86 14.177 -6.646 2.606 1.00 15.52 H new ATOM 1311 N GLU A 87 12.862 -7.139 -6.794 1.00 12.58 N ATOM 1312 CA GLU A 87 13.120 -8.353 -7.554 1.00 13.44 C ATOM 1313 C GLU A 87 14.078 -8.051 -8.701 1.00 13.54 C ATOM 1314 O GLU A 87 15.036 -8.787 -8.936 1.00 14.45 O ATOM 1315 CB GLU A 87 11.812 -8.931 -8.098 1.00 13.42 C ATOM 1316 CG GLU A 87 11.988 -10.247 -8.837 1.00 14.12 C ATOM 1317 CD GLU A 87 10.692 -10.757 -9.433 1.00 14.57 C ATOM 1318 OE1 GLU A 87 10.388 -10.397 -10.590 1.00 14.77 O ATOM 1319 OE2 GLU A 87 9.979 -11.518 -8.744 1.00 14.85 O ATOM 0 H GLU A 87 11.881 -6.860 -6.759 1.00 12.58 H new ATOM 0 HA GLU A 87 13.575 -9.091 -6.894 1.00 13.44 H new ATOM 0 HB2 GLU A 87 11.118 -9.079 -7.270 1.00 13.42 H new ATOM 0 HB3 GLU A 87 11.356 -8.205 -8.771 1.00 13.42 H new ATOM 0 HG2 GLU A 87 12.723 -10.118 -9.631 1.00 14.12 H new ATOM 0 HG3 GLU A 87 12.387 -10.994 -8.151 1.00 14.12 H new ATOM 1326 N ALA A 88 13.814 -6.951 -9.403 1.00 12.70 N ATOM 1327 CA ALA A 88 14.648 -6.537 -10.523 1.00 12.92 C ATOM 1328 C ALA A 88 16.054 -6.173 -10.055 1.00 13.38 C ATOM 1329 O ALA A 88 17.033 -6.418 -10.759 1.00 14.11 O ATOM 1330 CB ALA A 88 14.011 -5.362 -11.249 1.00 12.02 C ATOM 0 H ALA A 88 13.027 -6.331 -9.213 1.00 12.70 H new ATOM 0 HA ALA A 88 14.729 -7.376 -11.214 1.00 12.92 H new ATOM 0 HB1 ALA A 88 14.645 -5.063 -12.084 1.00 12.02 H new ATOM 0 HB2 ALA A 88 13.031 -5.655 -11.625 1.00 12.02 H new ATOM 0 HB3 ALA A 88 13.900 -4.525 -10.560 1.00 12.02 H new ATOM 1336 N PHE A 89 16.146 -5.586 -8.863 1.00 13.10 N ATOM 1337 CA PHE A 89 17.436 -5.197 -8.302 1.00 13.68 C ATOM 1338 C PHE A 89 18.343 -6.412 -8.176 1.00 14.81 C ATOM 1339 O PHE A 89 19.547 -6.336 -8.426 1.00 15.53 O ATOM 1340 CB PHE A 89 17.249 -4.536 -6.934 1.00 13.32 C ATOM 1341 CG PHE A 89 18.541 -4.266 -6.215 1.00 14.09 C ATOM 1342 CD1 PHE A 89 19.404 -3.279 -6.661 1.00 14.41 C ATOM 1343 CD2 PHE A 89 18.890 -5.000 -5.093 1.00 14.63 C ATOM 1344 CE1 PHE A 89 20.593 -3.029 -6.003 1.00 15.22 C ATOM 1345 CE2 PHE A 89 20.078 -4.755 -4.430 1.00 15.44 C ATOM 1346 CZ PHE A 89 20.930 -3.768 -4.886 1.00 15.73 C ATOM 0 H PHE A 89 15.345 -5.370 -8.270 1.00 13.10 H new ATOM 0 HA PHE A 89 17.902 -4.477 -8.975 1.00 13.68 H new ATOM 0 HB2 PHE A 89 16.712 -3.596 -7.064 1.00 13.32 H new ATOM 0 HB3 PHE A 89 16.624 -5.177 -6.312 1.00 13.32 H new ATOM 0 HD1 PHE A 89 19.145 -2.698 -7.534 1.00 14.41 H new ATOM 0 HD2 PHE A 89 18.227 -5.772 -4.732 1.00 14.63 H new ATOM 0 HE1 PHE A 89 21.258 -2.257 -6.362 1.00 15.22 H new ATOM 0 HE2 PHE A 89 20.340 -5.334 -3.557 1.00 15.44 H new ATOM 0 HZ PHE A 89 21.859 -3.574 -4.370 1.00 15.73 H new ATOM 1356 N LYS A 90 17.751 -7.533 -7.783 1.00 15.06 N ATOM 1357 CA LYS A 90 18.493 -8.778 -7.629 1.00 16.18 C ATOM 1358 C LYS A 90 18.952 -9.302 -8.984 1.00 16.76 C ATOM 1359 O LYS A 90 20.069 -9.802 -9.122 1.00 17.66 O ATOM 1360 CB LYS A 90 17.628 -9.831 -6.936 1.00 16.38 C ATOM 1361 CG LYS A 90 17.183 -9.435 -5.537 1.00 16.21 C ATOM 1362 CD LYS A 90 16.280 -10.486 -4.923 1.00 16.55 C ATOM 1363 CE LYS A 90 15.727 -10.034 -3.581 1.00 16.86 C ATOM 1364 NZ LYS A 90 14.947 -8.771 -3.699 1.00 17.18 N ATOM 0 H LYS A 90 16.757 -7.605 -7.565 1.00 15.06 H new ATOM 0 HA LYS A 90 19.370 -8.576 -7.015 1.00 16.18 H new ATOM 0 HB2 LYS A 90 16.746 -10.023 -7.547 1.00 16.38 H new ATOM 0 HB3 LYS A 90 18.186 -10.766 -6.879 1.00 16.38 H new ATOM 0 HG2 LYS A 90 18.058 -9.290 -4.903 1.00 16.21 H new ATOM 0 HG3 LYS A 90 16.657 -8.481 -5.578 1.00 16.21 H new ATOM 0 HD2 LYS A 90 15.456 -10.701 -5.603 1.00 16.55 H new ATOM 0 HD3 LYS A 90 16.837 -11.414 -4.794 1.00 16.55 H new ATOM 0 HE2 LYS A 90 15.090 -10.817 -3.168 1.00 16.86 H new ATOM 0 HE3 LYS A 90 16.549 -9.889 -2.880 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 14.395 -8.621 -2.830 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 15.599 -7.972 -3.837 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 14.302 -8.836 -4.512 1.00 17.18 H new ATOM 1378 N ILE A 91 18.080 -9.186 -9.982 1.00 16.32 N ATOM 1379 CA ILE A 91 18.389 -9.650 -11.329 1.00 16.96 C ATOM 1380 C ILE A 91 19.611 -8.930 -11.897 1.00 17.21 C ATOM 1381 O ILE A 91 20.434 -9.534 -12.583 1.00 18.15 O ATOM 1382 CB ILE A 91 17.197 -9.442 -12.287 1.00 16.50 C ATOM 1383 CG1 ILE A 91 15.923 -10.070 -11.712 1.00 16.43 C ATOM 1384 CG2 ILE A 91 17.509 -10.023 -13.660 1.00 17.34 C ATOM 1385 CD1 ILE A 91 16.022 -11.563 -11.477 1.00 16.26 C ATOM 0 H ILE A 91 17.152 -8.774 -9.882 1.00 16.32 H new ATOM 0 HA ILE A 91 18.602 -10.716 -11.250 1.00 16.96 H new ATOM 0 HB ILE A 91 17.028 -8.371 -12.396 1.00 16.50 H new ATOM 0 HG12 ILE A 91 15.683 -9.580 -10.769 1.00 16.43 H new ATOM 0 HG13 ILE A 91 15.095 -9.874 -12.393 1.00 16.43 H new ATOM 0 HG21 ILE A 91 16.658 -9.868 -14.323 1.00 17.34 H new ATOM 0 HG22 ILE A 91 18.387 -9.527 -14.074 1.00 17.34 H new ATOM 0 HG23 ILE A 91 17.706 -11.091 -13.567 1.00 17.34 H new ATOM 0 HD11 ILE A 91 15.080 -11.930 -11.069 1.00 16.26 H new ATOM 0 HD12 ILE A 91 16.230 -12.067 -12.421 1.00 16.26 H new ATOM 0 HD13 ILE A 91 16.827 -11.768 -10.771 1.00 16.26 H new ATOM 1397 N PHE A 92 19.721 -7.636 -11.610 1.00 16.44 N ATOM 1398 CA PHE A 92 20.842 -6.836 -12.098 1.00 16.75 C ATOM 1399 C PHE A 92 22.094 -7.063 -11.256 1.00 17.52 C ATOM 1400 O PHE A 92 23.210 -7.054 -11.777 1.00 18.34 O ATOM 1401 CB PHE A 92 20.481 -5.349 -12.095 1.00 15.83 C ATOM 1402 CG PHE A 92 19.848 -4.877 -13.373 1.00 15.63 C ATOM 1403 CD1 PHE A 92 20.630 -4.437 -14.429 1.00 15.41 C ATOM 1404 CD2 PHE A 92 18.470 -4.879 -13.518 1.00 15.79 C ATOM 1405 CE1 PHE A 92 20.048 -4.006 -15.606 1.00 15.39 C ATOM 1406 CE2 PHE A 92 17.884 -4.447 -14.692 1.00 15.74 C ATOM 1407 CZ PHE A 92 18.681 -3.997 -15.736 1.00 15.56 C ATOM 0 H PHE A 92 19.049 -7.119 -11.043 1.00 16.44 H new ATOM 0 HA PHE A 92 21.052 -7.153 -13.120 1.00 16.75 H new ATOM 0 HB2 PHE A 92 19.799 -5.152 -11.268 1.00 15.83 H new ATOM 0 HB3 PHE A 92 21.383 -4.766 -11.910 1.00 15.83 H new ATOM 0 HD1 PHE A 92 21.706 -4.431 -14.331 1.00 15.41 H new ATOM 0 HD2 PHE A 92 17.848 -5.222 -12.705 1.00 15.79 H new ATOM 0 HE1 PHE A 92 20.669 -3.676 -16.425 1.00 15.39 H new ATOM 0 HE2 PHE A 92 16.809 -4.459 -14.797 1.00 15.74 H new ATOM 0 HZ PHE A 92 18.227 -3.641 -16.649 1.00 15.56 H new ATOM 1417 N ASP A 93 21.906 -7.262 -9.956 1.00 17.35 N ATOM 1418 CA ASP A 93 23.027 -7.482 -9.051 1.00 18.13 C ATOM 1419 C ASP A 93 23.527 -8.923 -9.141 1.00 19.15 C ATOM 1420 O ASP A 93 22.865 -9.852 -8.678 1.00 19.29 O ATOM 1421 CB ASP A 93 22.622 -7.150 -7.613 1.00 17.78 C ATOM 1422 CG ASP A 93 23.807 -7.122 -6.665 1.00 18.61 C ATOM 1423 OD1 ASP A 93 24.951 -6.995 -7.150 1.00 18.94 O ATOM 1424 OD2 ASP A 93 23.592 -7.233 -5.439 1.00 18.99 O ATOM 0 H ASP A 93 20.990 -7.275 -9.507 1.00 17.35 H new ATOM 0 HA ASP A 93 23.840 -6.820 -9.350 1.00 18.13 H new ATOM 0 HB2 ASP A 93 22.123 -6.181 -7.594 1.00 17.78 H new ATOM 0 HB3 ASP A 93 21.899 -7.887 -7.264 1.00 17.78 H new ATOM 1429 N ARG A 94 24.702 -9.096 -9.742 1.00 19.94 N ATOM 1430 CA ARG A 94 25.298 -10.419 -9.906 1.00 20.98 C ATOM 1431 C ARG A 94 25.920 -10.913 -8.602 1.00 21.56 C ATOM 1432 O ARG A 94 26.316 -12.074 -8.496 1.00 22.25 O ATOM 1433 CB ARG A 94 26.357 -10.386 -11.014 1.00 21.74 C ATOM 1434 CG ARG A 94 25.806 -10.630 -12.416 1.00 21.43 C ATOM 1435 CD ARG A 94 24.611 -9.739 -12.732 1.00 21.19 C ATOM 1436 NE ARG A 94 23.383 -10.229 -12.109 1.00 21.42 N ATOM 1437 CZ ARG A 94 22.796 -11.378 -12.435 1.00 21.61 C ATOM 1438 NH1 ARG A 94 23.316 -12.150 -13.381 1.00 21.58 N ATOM 1439 NH2 ARG A 94 21.688 -11.758 -11.814 1.00 21.94 N ATOM 0 H ARG A 94 25.261 -8.334 -10.124 1.00 19.94 H new ATOM 0 HA ARG A 94 24.505 -11.113 -10.186 1.00 20.98 H new ATOM 0 HB2 ARG A 94 26.855 -9.417 -10.996 1.00 21.74 H new ATOM 0 HB3 ARG A 94 27.115 -11.138 -10.798 1.00 21.74 H new ATOM 0 HG2 ARG A 94 26.593 -10.452 -13.149 1.00 21.43 H new ATOM 0 HG3 ARG A 94 25.512 -11.675 -12.511 1.00 21.43 H new ATOM 0 HD2 ARG A 94 24.813 -8.725 -12.387 1.00 21.19 H new ATOM 0 HD3 ARG A 94 24.474 -9.686 -13.812 1.00 21.19 H new ATOM 0 HE ARG A 94 22.951 -9.658 -11.383 1.00 21.42 H new ATOM 0 HH11 ARG A 94 24.169 -11.863 -13.861 1.00 21.58 H new ATOM 0 HH12 ARG A 94 22.863 -13.030 -13.628 1.00 21.58 H new ATOM 0 HH21 ARG A 94 21.284 -11.169 -11.085 1.00 21.94 H new ATOM 0 HH22 ARG A 94 21.239 -12.639 -12.065 1.00 21.94 H new ATOM 1453 N ASP A 95 26.005 -10.028 -7.615 1.00 21.37 N ATOM 1454 CA ASP A 95 26.579 -10.384 -6.321 1.00 21.99 C ATOM 1455 C ASP A 95 25.539 -10.261 -5.214 1.00 21.37 C ATOM 1456 O ASP A 95 24.461 -9.704 -5.419 1.00 20.39 O ATOM 1457 CB ASP A 95 27.774 -9.486 -6.004 1.00 22.48 C ATOM 1458 CG ASP A 95 28.757 -9.399 -7.152 1.00 22.92 C ATOM 1459 OD1 ASP A 95 29.287 -10.454 -7.557 1.00 23.34 O ATOM 1460 OD2 ASP A 95 28.999 -8.277 -7.646 1.00 22.92 O ATOM 0 H ASP A 95 25.685 -9.062 -7.685 1.00 21.37 H new ATOM 0 HA ASP A 95 26.913 -11.420 -6.375 1.00 21.99 H new ATOM 0 HB2 ASP A 95 27.417 -8.486 -5.759 1.00 22.48 H new ATOM 0 HB3 ASP A 95 28.286 -9.867 -5.120 1.00 22.48 H new ATOM 1465 N GLY A 96 25.871 -10.790 -4.041 1.00 22.00 N ATOM 1466 CA GLY A 96 24.961 -10.725 -2.913 1.00 21.64 C ATOM 1467 C GLY A 96 25.324 -9.612 -1.952 1.00 21.55 C ATOM 1468 O GLY A 96 24.717 -9.476 -0.889 1.00 21.40 O ATOM 0 H GLY A 96 26.755 -11.263 -3.852 1.00 22.00 H new ATOM 0 HA2 GLY A 96 23.945 -10.573 -3.276 1.00 21.64 H new ATOM 0 HA3 GLY A 96 24.971 -11.678 -2.384 1.00 21.64 H new ATOM 1472 N ASP A 97 26.321 -8.814 -2.327 1.00 21.75 N ATOM 1473 CA ASP A 97 26.776 -7.709 -1.491 1.00 21.82 C ATOM 1474 C ASP A 97 25.672 -6.670 -1.306 1.00 20.80 C ATOM 1475 O ASP A 97 25.500 -6.122 -0.217 1.00 20.85 O ATOM 1476 CB ASP A 97 28.018 -7.057 -2.103 1.00 22.28 C ATOM 1477 CG ASP A 97 27.701 -6.249 -3.346 1.00 21.72 C ATOM 1478 OD1 ASP A 97 27.373 -6.863 -4.382 1.00 21.74 O ATOM 1479 OD2 ASP A 97 27.777 -5.004 -3.285 1.00 21.34 O ATOM 0 H ASP A 97 26.829 -8.913 -3.206 1.00 21.75 H new ATOM 0 HA ASP A 97 27.033 -8.110 -0.511 1.00 21.82 H new ATOM 0 HB2 ASP A 97 28.485 -6.408 -1.362 1.00 22.28 H new ATOM 0 HB3 ASP A 97 28.744 -7.831 -2.353 1.00 22.28 H new ATOM 1484 N GLY A 98 24.926 -6.405 -2.377 1.00 19.93 N ATOM 1485 CA GLY A 98 23.846 -5.437 -2.306 1.00 18.92 C ATOM 1486 C GLY A 98 24.129 -4.177 -3.101 1.00 18.54 C ATOM 1487 O GLY A 98 23.465 -3.157 -2.912 1.00 17.94 O ATOM 0 H GLY A 98 25.051 -6.843 -3.290 1.00 19.93 H new ATOM 0 HA2 GLY A 98 22.929 -5.896 -2.676 1.00 18.92 H new ATOM 0 HA3 GLY A 98 23.671 -5.171 -1.263 1.00 18.92 H new ATOM 1491 N PHE A 99 25.118 -4.239 -3.988 1.00 19.01 N ATOM 1492 CA PHE A 99 25.476 -3.089 -4.812 1.00 18.88 C ATOM 1493 C PHE A 99 25.799 -3.512 -6.242 1.00 18.97 C ATOM 1494 O PHE A 99 26.241 -4.638 -6.485 1.00 19.56 O ATOM 1495 CB PHE A 99 26.673 -2.343 -4.213 1.00 19.81 C ATOM 1496 CG PHE A 99 26.372 -1.633 -2.923 1.00 19.89 C ATOM 1497 CD1 PHE A 99 26.393 -2.315 -1.716 1.00 19.90 C ATOM 1498 CD2 PHE A 99 26.075 -0.280 -2.919 1.00 20.07 C ATOM 1499 CE1 PHE A 99 26.121 -1.658 -0.530 1.00 20.10 C ATOM 1500 CE2 PHE A 99 25.804 0.382 -1.736 1.00 20.28 C ATOM 1501 CZ PHE A 99 25.827 -0.309 -0.540 1.00 20.30 C ATOM 0 H PHE A 99 25.684 -5.071 -4.154 1.00 19.01 H new ATOM 0 HA PHE A 99 24.614 -2.422 -4.833 1.00 18.88 H new ATOM 0 HB2 PHE A 99 27.482 -3.053 -4.044 1.00 19.81 H new ATOM 0 HB3 PHE A 99 27.034 -1.615 -4.940 1.00 19.81 H new ATOM 0 HD1 PHE A 99 26.624 -3.370 -1.702 1.00 19.90 H new ATOM 0 HD2 PHE A 99 26.055 0.264 -3.852 1.00 20.07 H new ATOM 0 HE1 PHE A 99 26.139 -2.200 0.404 1.00 20.10 H new ATOM 0 HE2 PHE A 99 25.575 1.437 -1.747 1.00 20.28 H new ATOM 0 HZ PHE A 99 25.615 0.205 0.386 1.00 20.30 H new ATOM 1511 N ILE A 100 25.576 -2.598 -7.185 1.00 18.48 N ATOM 1512 CA ILE A 100 25.846 -2.865 -8.592 1.00 18.67 C ATOM 1513 C ILE A 100 26.969 -1.969 -9.108 1.00 19.37 C ATOM 1514 O ILE A 100 26.962 -0.759 -8.888 1.00 19.21 O ATOM 1515 CB ILE A 100 24.587 -2.643 -9.454 1.00 17.64 C ATOM 1516 CG1 ILE A 100 23.423 -3.479 -8.914 1.00 16.97 C ATOM 1517 CG2 ILE A 100 24.871 -2.993 -10.909 1.00 18.04 C ATOM 1518 CD1 ILE A 100 22.096 -3.177 -9.579 1.00 15.92 C ATOM 0 H ILE A 100 25.208 -1.665 -6.997 1.00 18.48 H new ATOM 0 HA ILE A 100 26.150 -3.909 -8.670 1.00 18.67 H new ATOM 0 HB ILE A 100 24.309 -1.590 -9.404 1.00 17.64 H new ATOM 0 HG12 ILE A 100 23.654 -4.536 -9.047 1.00 16.97 H new ATOM 0 HG13 ILE A 100 23.330 -3.306 -7.842 1.00 16.97 H new ATOM 0 HG21 ILE A 100 23.972 -2.831 -11.504 1.00 18.04 H new ATOM 0 HG22 ILE A 100 25.675 -2.360 -11.285 1.00 18.04 H new ATOM 0 HG23 ILE A 100 25.170 -4.039 -10.980 1.00 18.04 H new ATOM 0 HD11 ILE A 100 21.320 -3.807 -9.145 1.00 15.92 H new ATOM 0 HD12 ILE A 100 21.841 -2.129 -9.424 1.00 15.92 H new ATOM 0 HD13 ILE A 100 22.171 -3.378 -10.648 1.00 15.92 H new ATOM 1530 N SER A 101 27.930 -2.572 -9.799 1.00 20.25 N ATOM 1531 CA SER A 101 29.061 -1.831 -10.344 1.00 21.07 C ATOM 1532 C SER A 101 29.036 -1.851 -11.869 1.00 21.23 C ATOM 1533 O SER A 101 28.439 -2.748 -12.461 1.00 20.98 O ATOM 1534 CB SER A 101 30.378 -2.422 -9.835 1.00 22.16 C ATOM 1535 OG SER A 101 30.440 -3.816 -10.081 1.00 22.49 O ATOM 0 H SER A 101 27.948 -3.573 -9.995 1.00 20.25 H new ATOM 0 HA SER A 101 28.983 -0.796 -10.010 1.00 21.07 H new ATOM 0 HB2 SER A 101 31.216 -1.926 -10.324 1.00 22.16 H new ATOM 0 HB3 SER A 101 30.476 -2.233 -8.766 1.00 22.16 H new ATOM 0 HG SER A 101 29.779 -4.276 -9.523 1.00 22.49 H new ATOM 1541 N PRO A 102 29.668 -0.858 -12.528 1.00 21.74 N ATOM 1542 CA PRO A 102 29.703 -0.779 -13.990 1.00 22.05 C ATOM 1543 C PRO A 102 29.908 -2.141 -14.645 1.00 22.55 C ATOM 1544 O PRO A 102 29.324 -2.433 -15.688 1.00 22.43 O ATOM 1545 CB PRO A 102 30.898 0.134 -14.249 1.00 23.00 C ATOM 1546 CG PRO A 102 30.926 1.052 -13.075 1.00 22.78 C ATOM 1547 CD PRO A 102 30.406 0.258 -11.902 1.00 22.19 C ATOM 0 HA PRO A 102 28.765 -0.413 -14.409 1.00 22.05 H new ATOM 0 HB2 PRO A 102 31.823 -0.436 -14.329 1.00 23.00 H new ATOM 0 HB3 PRO A 102 30.782 0.686 -15.182 1.00 23.00 H new ATOM 0 HG2 PRO A 102 31.938 1.409 -12.885 1.00 22.78 H new ATOM 0 HG3 PRO A 102 30.307 1.931 -13.254 1.00 22.78 H new ATOM 0 HD2 PRO A 102 31.219 -0.104 -11.273 1.00 22.19 H new ATOM 0 HD3 PRO A 102 29.756 0.861 -11.268 1.00 22.19 H new ATOM 1555 N ALA A 103 30.736 -2.974 -14.022 1.00 23.17 N ATOM 1556 CA ALA A 103 31.008 -4.310 -14.539 1.00 23.77 C ATOM 1557 C ALA A 103 29.728 -5.134 -14.594 1.00 23.02 C ATOM 1558 O ALA A 103 29.406 -5.744 -15.616 1.00 23.22 O ATOM 1559 CB ALA A 103 32.044 -5.007 -13.671 1.00 24.56 C ATOM 0 H ALA A 103 31.230 -2.747 -13.159 1.00 23.17 H new ATOM 0 HA ALA A 103 31.401 -4.215 -15.551 1.00 23.77 H new ATOM 0 HB1 ALA A 103 32.239 -6.004 -14.067 1.00 24.56 H new ATOM 0 HB2 ALA A 103 32.968 -4.429 -13.672 1.00 24.56 H new ATOM 0 HB3 ALA A 103 31.669 -5.089 -12.651 1.00 24.56 H new ATOM 1565 N GLU A 104 29.000 -5.138 -13.484 1.00 22.23 N ATOM 1566 CA GLU A 104 27.749 -5.877 -13.380 1.00 21.53 C ATOM 1567 C GLU A 104 26.673 -5.238 -14.247 1.00 20.75 C ATOM 1568 O GLU A 104 25.805 -5.926 -14.787 1.00 20.59 O ATOM 1569 CB GLU A 104 27.282 -5.916 -11.925 1.00 20.94 C ATOM 1570 CG GLU A 104 28.221 -6.669 -10.998 1.00 21.74 C ATOM 1571 CD GLU A 104 27.786 -6.592 -9.547 1.00 21.28 C ATOM 1572 OE1 GLU A 104 26.909 -7.387 -9.147 1.00 21.43 O ATOM 1573 OE2 GLU A 104 28.321 -5.737 -8.810 1.00 20.84 O ATOM 0 H GLU A 104 29.258 -4.633 -12.636 1.00 22.23 H new ATOM 0 HA GLU A 104 27.922 -6.894 -13.731 1.00 21.53 H new ATOM 0 HB2 GLU A 104 27.170 -4.894 -11.562 1.00 20.94 H new ATOM 0 HB3 GLU A 104 26.296 -6.379 -11.882 1.00 20.94 H new ATOM 0 HG2 GLU A 104 28.270 -7.714 -11.305 1.00 21.74 H new ATOM 0 HG3 GLU A 104 29.227 -6.261 -11.095 1.00 21.74 H new ATOM 1580 N LEU A 105 26.736 -3.918 -14.375 1.00 20.36 N ATOM 1581 CA LEU A 105 25.767 -3.181 -15.171 1.00 19.67 C ATOM 1582 C LEU A 105 25.839 -3.616 -16.631 1.00 20.33 C ATOM 1583 O LEU A 105 24.837 -4.029 -17.213 1.00 19.95 O ATOM 1584 CB LEU A 105 26.025 -1.672 -15.044 1.00 19.42 C ATOM 1585 CG LEU A 105 25.024 -0.755 -15.758 1.00 18.62 C ATOM 1586 CD1 LEU A 105 25.301 -0.709 -17.249 1.00 17.90 C ATOM 1587 CD2 LEU A 105 23.594 -1.181 -15.475 1.00 18.59 C ATOM 0 H LEU A 105 27.450 -3.337 -13.936 1.00 20.36 H new ATOM 0 HA LEU A 105 24.766 -3.397 -14.799 1.00 19.67 H new ATOM 0 HB2 LEU A 105 26.033 -1.413 -13.985 1.00 19.42 H new ATOM 0 HB3 LEU A 105 27.022 -1.460 -15.432 1.00 19.42 H new ATOM 0 HG LEU A 105 25.151 0.254 -15.364 1.00 18.62 H new ATOM 0 HD11 LEU A 105 24.578 -0.052 -17.733 1.00 17.90 H new ATOM 0 HD12 LEU A 105 26.308 -0.329 -17.420 1.00 17.90 H new ATOM 0 HD13 LEU A 105 25.216 -1.712 -17.666 1.00 17.90 H new ATOM 0 HD21 LEU A 105 22.906 -0.513 -15.994 1.00 18.59 H new ATOM 0 HD22 LEU A 105 23.442 -2.202 -15.825 1.00 18.59 H new ATOM 0 HD23 LEU A 105 23.406 -1.134 -14.402 1.00 18.59 H new ATOM 1599 N ARG A 106 27.027 -3.514 -17.215 1.00 21.40 N ATOM 1600 CA ARG A 106 27.235 -3.901 -18.603 1.00 22.20 C ATOM 1601 C ARG A 106 26.810 -5.351 -18.838 1.00 22.44 C ATOM 1602 O ARG A 106 26.204 -5.671 -19.855 1.00 22.57 O ATOM 1603 CB ARG A 106 28.708 -3.701 -18.985 1.00 23.35 C ATOM 1604 CG ARG A 106 29.289 -4.812 -19.849 1.00 24.22 C ATOM 1605 CD ARG A 106 30.711 -4.495 -20.279 1.00 25.21 C ATOM 1606 NE ARG A 106 31.601 -4.316 -19.136 1.00 25.76 N ATOM 1607 CZ ARG A 106 32.921 -4.199 -19.238 1.00 26.69 C ATOM 1608 NH1 ARG A 106 33.505 -4.244 -20.428 1.00 27.16 N ATOM 1609 NH2 ARG A 106 33.660 -4.038 -18.149 1.00 27.19 N ATOM 0 H ARG A 106 27.863 -3.165 -16.746 1.00 21.40 H new ATOM 0 HA ARG A 106 26.615 -3.266 -19.236 1.00 22.20 H new ATOM 0 HB2 ARG A 106 28.808 -2.754 -19.516 1.00 23.35 H new ATOM 0 HB3 ARG A 106 29.300 -3.619 -18.073 1.00 23.35 H new ATOM 0 HG2 ARG A 106 29.276 -5.750 -19.295 1.00 24.22 H new ATOM 0 HG3 ARG A 106 28.664 -4.954 -20.731 1.00 24.22 H new ATOM 0 HD2 ARG A 106 31.087 -5.301 -20.909 1.00 25.21 H new ATOM 0 HD3 ARG A 106 30.713 -3.589 -20.885 1.00 25.21 H new ATOM 0 HE ARG A 106 31.186 -4.279 -18.205 1.00 25.76 H new ATOM 0 HH11 ARG A 106 32.941 -4.369 -21.269 1.00 27.16 H new ATOM 0 HH12 ARG A 106 34.518 -4.154 -20.503 1.00 27.16 H new ATOM 0 HH21 ARG A 106 33.216 -4.004 -17.232 1.00 27.19 H new ATOM 0 HH22 ARG A 106 34.673 -3.948 -18.229 1.00 27.19 H new ATOM 1623 N PHE A 107 27.128 -6.217 -17.885 1.00 22.61 N ATOM 1624 CA PHE A 107 26.793 -7.633 -17.994 1.00 22.97 C ATOM 1625 C PHE A 107 25.289 -7.860 -18.156 1.00 22.14 C ATOM 1626 O PHE A 107 24.865 -8.628 -19.019 1.00 22.53 O ATOM 1627 CB PHE A 107 27.302 -8.392 -16.769 1.00 23.24 C ATOM 1628 CG PHE A 107 28.522 -9.225 -17.042 1.00 23.93 C ATOM 1629 CD1 PHE A 107 29.708 -8.632 -17.446 1.00 24.48 C ATOM 1630 CD2 PHE A 107 28.481 -10.602 -16.898 1.00 24.11 C ATOM 1631 CE1 PHE A 107 30.830 -9.397 -17.700 1.00 25.19 C ATOM 1632 CE2 PHE A 107 29.600 -11.373 -17.151 1.00 24.82 C ATOM 1633 CZ PHE A 107 30.775 -10.769 -17.552 1.00 25.36 C ATOM 0 H PHE A 107 27.618 -5.965 -17.027 1.00 22.61 H new ATOM 0 HA PHE A 107 27.283 -8.012 -18.891 1.00 22.97 H new ATOM 0 HB2 PHE A 107 27.530 -7.677 -15.978 1.00 23.24 H new ATOM 0 HB3 PHE A 107 26.507 -9.038 -16.396 1.00 23.24 H new ATOM 0 HD1 PHE A 107 29.755 -7.559 -17.564 1.00 24.48 H new ATOM 0 HD2 PHE A 107 27.564 -11.079 -16.584 1.00 24.11 H new ATOM 0 HE1 PHE A 107 31.748 -8.923 -18.014 1.00 25.19 H new ATOM 0 HE2 PHE A 107 29.555 -12.446 -17.035 1.00 24.82 H new ATOM 0 HZ PHE A 107 31.651 -11.369 -17.750 1.00 25.36 H new ATOM 1643 N VAL A 108 24.487 -7.196 -17.330 1.00 21.06 N ATOM 1644 CA VAL A 108 23.037 -7.358 -17.390 1.00 20.23 C ATOM 1645 C VAL A 108 22.421 -6.560 -18.533 1.00 20.08 C ATOM 1646 O VAL A 108 21.700 -7.117 -19.360 1.00 20.21 O ATOM 1647 CB VAL A 108 22.359 -6.946 -16.071 1.00 19.12 C ATOM 1648 CG1 VAL A 108 20.890 -7.344 -16.082 1.00 18.33 C ATOM 1649 CG2 VAL A 108 23.077 -7.567 -14.883 1.00 19.13 C ATOM 0 H VAL A 108 24.813 -6.545 -16.616 1.00 21.06 H new ATOM 0 HA VAL A 108 22.862 -8.420 -17.564 1.00 20.23 H new ATOM 0 HB VAL A 108 22.420 -5.862 -15.975 1.00 19.12 H new ATOM 0 HG11 VAL A 108 20.425 -7.046 -15.142 1.00 18.33 H new ATOM 0 HG12 VAL A 108 20.385 -6.848 -16.910 1.00 18.33 H new ATOM 0 HG13 VAL A 108 20.807 -8.424 -16.201 1.00 18.33 H new ATOM 0 HG21 VAL A 108 22.583 -7.264 -13.960 1.00 19.13 H new ATOM 0 HG22 VAL A 108 23.050 -8.653 -14.969 1.00 19.13 H new ATOM 0 HG23 VAL A 108 24.113 -7.230 -14.867 1.00 19.13 H new ATOM 1659 N MET A 109 22.703 -5.260 -18.577 1.00 19.93 N ATOM 1660 CA MET A 109 22.166 -4.390 -19.624 1.00 19.90 C ATOM 1661 C MET A 109 22.331 -5.016 -21.008 1.00 20.93 C ATOM 1662 O MET A 109 21.614 -4.666 -21.946 1.00 20.91 O ATOM 1663 CB MET A 109 22.843 -3.018 -19.574 1.00 20.00 C ATOM 1664 CG MET A 109 22.389 -2.160 -18.402 1.00 18.99 C ATOM 1665 SD MET A 109 21.134 -0.949 -18.860 1.00 18.30 S ATOM 1666 CE MET A 109 19.711 -2.008 -19.089 1.00 17.64 C ATOM 0 H MET A 109 23.300 -4.785 -17.900 1.00 19.93 H new ATOM 0 HA MET A 109 21.099 -4.264 -19.441 1.00 19.90 H new ATOM 0 HB2 MET A 109 23.923 -3.156 -19.516 1.00 20.00 H new ATOM 0 HB3 MET A 109 22.639 -2.487 -20.504 1.00 20.00 H new ATOM 0 HG2 MET A 109 21.994 -2.806 -17.618 1.00 18.99 H new ATOM 0 HG3 MET A 109 23.251 -1.641 -17.983 1.00 18.99 H new ATOM 0 HE1 MET A 109 18.800 -1.413 -19.023 1.00 17.64 H new ATOM 0 HE2 MET A 109 19.764 -2.482 -20.069 1.00 17.64 H new ATOM 0 HE3 MET A 109 19.700 -2.775 -18.315 1.00 17.64 H new ATOM 1676 N ILE A 110 23.279 -5.941 -21.127 1.00 21.91 N ATOM 1677 CA ILE A 110 23.522 -6.632 -22.388 1.00 22.98 C ATOM 1678 C ILE A 110 22.771 -7.959 -22.419 1.00 22.97 C ATOM 1679 O ILE A 110 22.233 -8.360 -23.452 1.00 23.58 O ATOM 1680 CB ILE A 110 25.024 -6.903 -22.607 1.00 24.01 C ATOM 1681 CG1 ILE A 110 25.790 -5.585 -22.718 1.00 24.18 C ATOM 1682 CG2 ILE A 110 25.230 -7.761 -23.847 1.00 25.13 C ATOM 1683 CD1 ILE A 110 27.288 -5.760 -22.868 1.00 25.10 C ATOM 0 H ILE A 110 23.892 -6.229 -20.364 1.00 21.91 H new ATOM 0 HA ILE A 110 23.164 -5.982 -23.186 1.00 22.98 H new ATOM 0 HB ILE A 110 25.413 -7.450 -21.748 1.00 24.01 H new ATOM 0 HG12 ILE A 110 25.411 -5.026 -23.574 1.00 24.18 H new ATOM 0 HG13 ILE A 110 25.591 -4.984 -21.831 1.00 24.18 H new ATOM 0 HG21 ILE A 110 26.295 -7.945 -23.990 1.00 25.13 H new ATOM 0 HG22 ILE A 110 24.711 -8.712 -23.722 1.00 25.13 H new ATOM 0 HG23 ILE A 110 24.831 -7.242 -24.719 1.00 25.13 H new ATOM 0 HD11 ILE A 110 27.763 -4.782 -22.941 1.00 25.10 H new ATOM 0 HD12 ILE A 110 27.681 -6.291 -22.001 1.00 25.10 H new ATOM 0 HD13 ILE A 110 27.499 -6.334 -23.771 1.00 25.10 H new ATOM 1695 N ASN A 111 22.746 -8.633 -21.275 1.00 22.36 N ATOM 1696 CA ASN A 111 22.066 -9.915 -21.145 1.00 22.40 C ATOM 1697 C ASN A 111 20.585 -9.784 -21.495 1.00 21.78 C ATOM 1698 O ASN A 111 19.979 -10.713 -22.028 1.00 22.21 O ATOM 1699 CB ASN A 111 22.230 -10.445 -19.717 1.00 21.96 C ATOM 1700 CG ASN A 111 20.913 -10.843 -19.081 1.00 22.60 C ATOM 1701 OD1 ASN A 111 20.508 -12.004 -19.133 1.00 23.32 O ATOM 1702 ND2 ASN A 111 20.236 -9.872 -18.485 1.00 22.44 N ATOM 0 H ASN A 111 23.193 -8.309 -20.418 1.00 22.36 H new ATOM 0 HA ASN A 111 22.516 -10.620 -21.843 1.00 22.40 H new ATOM 0 HB2 ASN A 111 22.897 -11.307 -19.729 1.00 21.96 H new ATOM 0 HB3 ASN A 111 22.708 -9.681 -19.104 1.00 21.96 H new ATOM 0 HD21 ASN A 111 19.338 -10.073 -18.044 1.00 22.44 H new ATOM 0 HD22 ASN A 111 20.612 -8.924 -18.467 1.00 22.44 H new ATOM 1709 N LEU A 112 20.011 -8.625 -21.188 1.00 20.83 N ATOM 1710 CA LEU A 112 18.603 -8.370 -21.466 1.00 20.19 C ATOM 1711 C LEU A 112 18.347 -8.322 -22.968 1.00 20.95 C ATOM 1712 O LEU A 112 17.234 -8.572 -23.428 1.00 21.07 O ATOM 1713 CB LEU A 112 18.167 -7.058 -20.820 1.00 19.00 C ATOM 1714 CG LEU A 112 18.596 -6.876 -19.362 1.00 18.25 C ATOM 1715 CD1 LEU A 112 18.327 -5.455 -18.896 1.00 17.58 C ATOM 1716 CD2 LEU A 112 17.884 -7.876 -18.464 1.00 17.84 C ATOM 0 H LEU A 112 20.501 -7.847 -20.746 1.00 20.83 H new ATOM 0 HA LEU A 112 18.019 -9.187 -21.043 1.00 20.19 H new ATOM 0 HB2 LEU A 112 18.569 -6.232 -21.406 1.00 19.00 H new ATOM 0 HB3 LEU A 112 17.081 -6.988 -20.874 1.00 19.00 H new ATOM 0 HG LEU A 112 19.668 -7.060 -19.298 1.00 18.25 H new ATOM 0 HD11 LEU A 112 18.639 -5.347 -17.857 1.00 17.58 H new ATOM 0 HD12 LEU A 112 18.887 -4.756 -19.517 1.00 17.58 H new ATOM 0 HD13 LEU A 112 17.262 -5.241 -18.979 1.00 17.58 H new ATOM 0 HD21 LEU A 112 18.203 -7.730 -17.432 1.00 17.84 H new ATOM 0 HD22 LEU A 112 16.807 -7.727 -18.535 1.00 17.84 H new ATOM 0 HD23 LEU A 112 18.131 -8.889 -18.780 1.00 17.84 H new ATOM 1728 N GLY A 113 19.389 -7.998 -23.727 1.00 21.57 N ATOM 1729 CA GLY A 113 19.265 -7.920 -25.171 1.00 22.41 C ATOM 1730 C GLY A 113 19.529 -6.525 -25.701 1.00 22.40 C ATOM 1731 O GLY A 113 19.607 -6.318 -26.911 1.00 23.05 O ATOM 0 H GLY A 113 20.320 -7.788 -23.366 1.00 21.57 H new ATOM 0 HA2 GLY A 113 19.964 -8.618 -25.631 1.00 22.41 H new ATOM 0 HA3 GLY A 113 18.263 -8.233 -25.464 1.00 22.41 H new ATOM 1735 N GLU A 114 19.665 -5.565 -24.791 1.00 21.76 N ATOM 1736 CA GLU A 114 19.921 -4.181 -25.170 1.00 21.80 C ATOM 1737 C GLU A 114 21.406 -3.956 -25.441 1.00 22.59 C ATOM 1738 O GLU A 114 22.254 -4.284 -24.610 1.00 22.48 O ATOM 1739 CB GLU A 114 19.441 -3.233 -24.071 1.00 20.80 C ATOM 1740 CG GLU A 114 17.945 -3.307 -23.817 1.00 20.26 C ATOM 1741 CD GLU A 114 17.499 -2.407 -22.680 1.00 20.12 C ATOM 1742 OE1 GLU A 114 17.301 -1.197 -22.924 1.00 19.96 O ATOM 1743 OE2 GLU A 114 17.349 -2.911 -21.547 1.00 20.27 O ATOM 0 H GLU A 114 19.602 -5.721 -23.785 1.00 21.76 H new ATOM 0 HA GLU A 114 19.368 -3.973 -26.086 1.00 21.80 H new ATOM 0 HB2 GLU A 114 19.970 -3.464 -23.146 1.00 20.80 H new ATOM 0 HB3 GLU A 114 19.705 -2.211 -24.343 1.00 20.80 H new ATOM 0 HG2 GLU A 114 17.412 -3.028 -24.726 1.00 20.26 H new ATOM 0 HG3 GLU A 114 17.670 -4.337 -23.589 1.00 20.26 H new ATOM 1750 N LYS A 115 21.712 -3.399 -26.607 1.00 23.45 N ATOM 1751 CA LYS A 115 23.094 -3.128 -26.986 1.00 24.32 C ATOM 1752 C LYS A 115 23.536 -1.764 -26.472 1.00 23.94 C ATOM 1753 O LYS A 115 23.160 -0.728 -27.022 1.00 23.86 O ATOM 1754 CB LYS A 115 23.259 -3.188 -28.508 1.00 25.48 C ATOM 1755 CG LYS A 115 23.149 -4.590 -29.087 1.00 26.26 C ATOM 1756 CD LYS A 115 21.710 -5.081 -29.109 1.00 26.75 C ATOM 1757 CE LYS A 115 21.589 -6.415 -29.829 1.00 27.55 C ATOM 1758 NZ LYS A 115 20.179 -6.894 -29.879 1.00 27.96 N ATOM 0 H LYS A 115 21.022 -3.126 -27.307 1.00 23.45 H new ATOM 0 HA LYS A 115 23.723 -3.895 -26.533 1.00 24.32 H new ATOM 0 HB2 LYS A 115 22.502 -2.555 -28.971 1.00 25.48 H new ATOM 0 HB3 LYS A 115 24.230 -2.771 -28.775 1.00 25.48 H new ATOM 0 HG2 LYS A 115 23.551 -4.597 -30.100 1.00 26.26 H new ATOM 0 HG3 LYS A 115 23.758 -5.275 -28.498 1.00 26.26 H new ATOM 0 HD2 LYS A 115 21.343 -5.183 -28.088 1.00 26.75 H new ATOM 0 HD3 LYS A 115 21.079 -4.341 -29.602 1.00 26.75 H new ATOM 0 HE2 LYS A 115 21.975 -6.316 -30.844 1.00 27.55 H new ATOM 0 HE3 LYS A 115 22.207 -7.157 -29.324 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 20.161 -7.891 -30.174 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 19.748 -6.804 -28.937 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 19.642 -6.322 -30.561 1.00 27.96 H new ATOM 1772 N VAL A 116 24.339 -1.769 -25.412 1.00 23.78 N ATOM 1773 CA VAL A 116 24.834 -0.531 -24.822 1.00 23.53 C ATOM 1774 C VAL A 116 26.354 -0.505 -24.774 1.00 24.38 C ATOM 1775 O VAL A 116 27.001 -1.546 -24.659 1.00 24.75 O ATOM 1776 CB VAL A 116 24.299 -0.327 -23.392 1.00 22.24 C ATOM 1777 CG1 VAL A 116 22.862 0.165 -23.415 1.00 21.40 C ATOM 1778 CG2 VAL A 116 24.424 -1.611 -22.587 1.00 21.91 C ATOM 0 H VAL A 116 24.660 -2.617 -24.945 1.00 23.78 H new ATOM 0 HA VAL A 116 24.474 0.275 -25.462 1.00 23.53 H new ATOM 0 HB VAL A 116 24.904 0.438 -22.907 1.00 22.24 H new ATOM 0 HG11 VAL A 116 22.508 0.301 -22.393 1.00 21.40 H new ATOM 0 HG12 VAL A 116 22.811 1.115 -23.946 1.00 21.40 H new ATOM 0 HG13 VAL A 116 22.235 -0.568 -23.922 1.00 21.40 H new ATOM 0 HG21 VAL A 116 24.041 -1.448 -21.580 1.00 21.91 H new ATOM 0 HG22 VAL A 116 23.849 -2.401 -23.070 1.00 21.91 H new ATOM 0 HG23 VAL A 116 25.472 -1.906 -22.533 1.00 21.91 H new ATOM 1788 N THR A 117 26.914 0.695 -24.861 1.00 24.76 N ATOM 1789 CA THR A 117 28.357 0.871 -24.811 1.00 25.62 C ATOM 1790 C THR A 117 28.785 1.281 -23.408 1.00 25.03 C ATOM 1791 O THR A 117 28.073 2.014 -22.724 1.00 24.12 O ATOM 1792 CB THR A 117 28.830 1.935 -25.818 1.00 26.54 C ATOM 1793 OG1 THR A 117 28.274 3.212 -25.483 1.00 25.98 O ATOM 1794 CG2 THR A 117 28.422 1.555 -27.234 1.00 27.24 C ATOM 0 H THR A 117 26.388 1.562 -24.967 1.00 24.76 H new ATOM 0 HA THR A 117 28.815 -0.082 -25.075 1.00 25.62 H new ATOM 0 HB THR A 117 29.918 1.991 -25.770 1.00 26.54 H new ATOM 0 HG1 THR A 117 28.582 3.882 -26.128 1.00 25.98 H new ATOM 0 HG21 THR A 117 28.766 2.320 -27.930 1.00 27.24 H new ATOM 0 HG22 THR A 117 28.871 0.597 -27.497 1.00 27.24 H new ATOM 0 HG23 THR A 117 27.336 1.475 -27.291 1.00 27.24 H new ATOM 1802 N ASP A 118 29.952 0.801 -22.990 1.00 25.62 N ATOM 1803 CA ASP A 118 30.483 1.102 -21.663 1.00 25.26 C ATOM 1804 C ASP A 118 30.425 2.598 -21.355 1.00 25.12 C ATOM 1805 O ASP A 118 30.410 2.996 -20.190 1.00 24.60 O ATOM 1806 CB ASP A 118 31.924 0.604 -21.551 1.00 26.22 C ATOM 1807 CG ASP A 118 32.045 -0.881 -21.831 1.00 26.44 C ATOM 1808 OD1 ASP A 118 32.101 -1.257 -23.021 1.00 26.51 O ATOM 1809 OD2 ASP A 118 32.082 -1.667 -20.861 1.00 26.63 O ATOM 0 H ASP A 118 30.552 0.199 -23.554 1.00 25.62 H new ATOM 0 HA ASP A 118 29.859 0.587 -20.932 1.00 25.26 H new ATOM 0 HB2 ASP A 118 32.552 1.155 -22.251 1.00 26.22 H new ATOM 0 HB3 ASP A 118 32.302 0.814 -20.550 1.00 26.22 H new ATOM 1814 N GLU A 119 30.383 3.421 -22.399 1.00 25.66 N ATOM 1815 CA GLU A 119 30.339 4.870 -22.224 1.00 25.70 C ATOM 1816 C GLU A 119 28.944 5.350 -21.826 1.00 24.54 C ATOM 1817 O GLU A 119 28.778 6.004 -20.796 1.00 24.02 O ATOM 1818 CB GLU A 119 30.780 5.572 -23.510 1.00 26.79 C ATOM 1819 CG GLU A 119 32.183 5.197 -23.958 1.00 27.99 C ATOM 1820 CD GLU A 119 32.632 5.970 -25.184 1.00 28.61 C ATOM 1821 OE1 GLU A 119 33.215 7.061 -25.015 1.00 28.61 O ATOM 1822 OE2 GLU A 119 32.399 5.484 -26.310 1.00 29.14 O ATOM 0 H GLU A 119 30.378 3.112 -23.371 1.00 25.66 H new ATOM 0 HA GLU A 119 31.025 5.123 -21.416 1.00 25.70 H new ATOM 0 HB2 GLU A 119 30.076 5.329 -24.306 1.00 26.79 H new ATOM 0 HB3 GLU A 119 30.732 6.651 -23.360 1.00 26.79 H new ATOM 0 HG2 GLU A 119 32.882 5.380 -23.142 1.00 27.99 H new ATOM 0 HG3 GLU A 119 32.218 4.129 -24.174 1.00 27.99 H new ATOM 1829 N GLU A 120 27.943 5.013 -22.637 1.00 24.19 N ATOM 1830 CA GLU A 120 26.570 5.432 -22.365 1.00 23.13 C ATOM 1831 C GLU A 120 26.081 4.912 -21.016 1.00 21.97 C ATOM 1832 O GLU A 120 25.378 5.618 -20.287 1.00 21.17 O ATOM 1833 CB GLU A 120 25.634 4.973 -23.484 1.00 23.10 C ATOM 1834 CG GLU A 120 25.506 3.466 -23.611 1.00 22.97 C ATOM 1835 CD GLU A 120 24.514 3.061 -24.684 1.00 23.00 C ATOM 1836 OE1 GLU A 120 23.295 3.164 -24.433 1.00 22.54 O ATOM 1837 OE2 GLU A 120 24.955 2.650 -25.778 1.00 23.55 O ATOM 0 H GLU A 120 28.056 4.454 -23.483 1.00 24.19 H new ATOM 0 HA GLU A 120 26.561 6.521 -22.325 1.00 23.13 H new ATOM 0 HB2 GLU A 120 24.645 5.397 -23.311 1.00 23.10 H new ATOM 0 HB3 GLU A 120 25.993 5.377 -24.431 1.00 23.10 H new ATOM 0 HG2 GLU A 120 26.482 3.039 -23.842 1.00 22.97 H new ATOM 0 HG3 GLU A 120 25.193 3.048 -22.654 1.00 22.97 H new ATOM 1844 N ILE A 121 26.460 3.686 -20.677 1.00 21.93 N ATOM 1845 CA ILE A 121 26.047 3.097 -19.413 1.00 20.94 C ATOM 1846 C ILE A 121 26.787 3.720 -18.239 1.00 20.97 C ATOM 1847 O ILE A 121 26.229 3.861 -17.151 1.00 20.10 O ATOM 1848 CB ILE A 121 26.258 1.575 -19.388 1.00 21.05 C ATOM 1849 CG1 ILE A 121 27.721 1.221 -19.658 1.00 22.23 C ATOM 1850 CG2 ILE A 121 25.346 0.899 -20.400 1.00 20.98 C ATOM 1851 CD1 ILE A 121 28.072 -0.209 -19.310 1.00 22.33 C ATOM 0 H ILE A 121 27.048 3.086 -21.255 1.00 21.93 H new ATOM 0 HA ILE A 121 24.981 3.304 -19.318 1.00 20.94 H new ATOM 0 HB ILE A 121 26.003 1.210 -18.393 1.00 21.05 H new ATOM 0 HG12 ILE A 121 27.939 1.394 -20.712 1.00 22.23 H new ATOM 0 HG13 ILE A 121 28.360 1.893 -19.086 1.00 22.23 H new ATOM 0 HG21 ILE A 121 25.506 -0.179 -20.371 1.00 20.98 H new ATOM 0 HG22 ILE A 121 24.306 1.118 -20.156 1.00 20.98 H new ATOM 0 HG23 ILE A 121 25.571 1.273 -21.399 1.00 20.98 H new ATOM 0 HD11 ILE A 121 29.125 -0.388 -19.527 1.00 22.33 H new ATOM 0 HD12 ILE A 121 27.886 -0.382 -18.250 1.00 22.33 H new ATOM 0 HD13 ILE A 121 27.458 -0.889 -19.902 1.00 22.33 H new ATOM 1863 N ASP A 122 28.048 4.084 -18.453 1.00 22.05 N ATOM 1864 CA ASP A 122 28.840 4.699 -17.398 1.00 22.30 C ATOM 1865 C ASP A 122 28.141 5.955 -16.889 1.00 21.86 C ATOM 1866 O ASP A 122 28.023 6.168 -15.680 1.00 21.46 O ATOM 1867 CB ASP A 122 30.242 5.042 -17.905 1.00 23.63 C ATOM 1868 CG ASP A 122 31.125 5.618 -16.817 1.00 24.02 C ATOM 1869 OD1 ASP A 122 31.078 6.848 -16.602 1.00 24.14 O ATOM 1870 OD2 ASP A 122 31.864 4.839 -16.179 1.00 24.29 O ATOM 0 H ASP A 122 28.538 3.964 -19.340 1.00 22.05 H new ATOM 0 HA ASP A 122 28.938 3.988 -16.577 1.00 22.30 H new ATOM 0 HB2 ASP A 122 30.709 4.144 -18.310 1.00 23.63 H new ATOM 0 HB3 ASP A 122 30.164 5.758 -18.723 1.00 23.63 H new ATOM 1875 N GLU A 123 27.676 6.783 -17.820 1.00 22.03 N ATOM 1876 CA GLU A 123 26.971 8.006 -17.463 1.00 21.74 C ATOM 1877 C GLU A 123 25.663 7.670 -16.757 1.00 20.39 C ATOM 1878 O GLU A 123 25.259 8.358 -15.819 1.00 20.02 O ATOM 1879 CB GLU A 123 26.695 8.858 -18.704 1.00 22.27 C ATOM 1880 CG GLU A 123 27.907 9.629 -19.201 1.00 23.66 C ATOM 1881 CD GLU A 123 28.985 8.731 -19.774 1.00 24.40 C ATOM 1882 OE1 GLU A 123 29.768 8.163 -18.986 1.00 24.74 O ATOM 1883 OE2 GLU A 123 29.045 8.598 -21.015 1.00 24.71 O ATOM 0 H GLU A 123 27.775 6.629 -18.823 1.00 22.03 H new ATOM 0 HA GLU A 123 27.604 8.581 -16.787 1.00 21.74 H new ATOM 0 HB2 GLU A 123 26.334 8.212 -19.504 1.00 22.27 H new ATOM 0 HB3 GLU A 123 25.895 9.563 -18.479 1.00 22.27 H new ATOM 0 HG2 GLU A 123 27.591 10.340 -19.964 1.00 23.66 H new ATOM 0 HG3 GLU A 123 28.324 10.209 -18.378 1.00 23.66 H new ATOM 1890 N MET A 124 25.006 6.606 -17.218 1.00 19.71 N ATOM 1891 CA MET A 124 23.750 6.163 -16.624 1.00 18.41 C ATOM 1892 C MET A 124 23.904 5.972 -15.119 1.00 17.96 C ATOM 1893 O MET A 124 23.084 6.451 -14.334 1.00 17.13 O ATOM 1894 CB MET A 124 23.302 4.851 -17.271 1.00 17.97 C ATOM 1895 CG MET A 124 21.949 4.362 -16.788 1.00 16.63 C ATOM 1896 SD MET A 124 21.887 2.571 -16.587 1.00 16.29 S ATOM 1897 CE MET A 124 23.085 2.337 -15.274 1.00 17.07 C ATOM 0 H MET A 124 25.325 6.036 -18.002 1.00 19.71 H new ATOM 0 HA MET A 124 22.995 6.929 -16.801 1.00 18.41 H new ATOM 0 HB2 MET A 124 23.265 4.984 -18.352 1.00 17.97 H new ATOM 0 HB3 MET A 124 24.049 4.083 -17.069 1.00 17.97 H new ATOM 0 HG2 MET A 124 21.714 4.839 -15.836 1.00 16.63 H new ATOM 0 HG3 MET A 124 21.181 4.671 -17.498 1.00 16.63 H new ATOM 0 HE1 MET A 124 22.820 1.454 -14.693 1.00 17.07 H new ATOM 0 HE2 MET A 124 24.077 2.203 -15.706 1.00 17.07 H new ATOM 0 HE3 MET A 124 23.088 3.212 -14.624 1.00 17.07 H new ATOM 1907 N ILE A 125 24.962 5.267 -14.725 1.00 18.60 N ATOM 1908 CA ILE A 125 25.233 5.014 -13.316 1.00 18.41 C ATOM 1909 C ILE A 125 25.442 6.323 -12.572 1.00 18.72 C ATOM 1910 O ILE A 125 24.933 6.509 -11.466 1.00 18.18 O ATOM 1911 CB ILE A 125 26.483 4.128 -13.139 1.00 19.25 C ATOM 1912 CG1 ILE A 125 26.285 2.789 -13.855 1.00 19.04 C ATOM 1913 CG2 ILE A 125 26.782 3.911 -11.660 1.00 19.27 C ATOM 1914 CD1 ILE A 125 27.509 1.899 -13.830 1.00 19.95 C ATOM 0 H ILE A 125 25.645 4.861 -15.364 1.00 18.60 H new ATOM 0 HA ILE A 125 24.369 4.492 -12.905 1.00 18.41 H new ATOM 0 HB ILE A 125 27.338 4.636 -13.585 1.00 19.25 H new ATOM 0 HG12 ILE A 125 25.452 2.259 -13.393 1.00 19.04 H new ATOM 0 HG13 ILE A 125 26.006 2.979 -14.891 1.00 19.04 H new ATOM 0 HG21 ILE A 125 27.667 3.284 -11.556 1.00 19.27 H new ATOM 0 HG22 ILE A 125 26.961 4.873 -11.180 1.00 19.27 H new ATOM 0 HG23 ILE A 125 25.932 3.421 -11.185 1.00 19.27 H new ATOM 0 HD11 ILE A 125 27.293 0.969 -14.356 1.00 19.95 H new ATOM 0 HD12 ILE A 125 28.339 2.408 -14.319 1.00 19.95 H new ATOM 0 HD13 ILE A 125 27.777 1.678 -12.797 1.00 19.95 H new ATOM 1926 N ARG A 126 26.193 7.228 -13.188 1.00 19.67 N ATOM 1927 CA ARG A 126 26.470 8.525 -12.589 1.00 20.18 C ATOM 1928 C ARG A 126 25.181 9.313 -12.379 1.00 19.36 C ATOM 1929 O ARG A 126 25.053 10.068 -11.416 1.00 19.42 O ATOM 1930 CB ARG A 126 27.431 9.326 -13.469 1.00 21.37 C ATOM 1931 CG ARG A 126 27.784 10.689 -12.898 1.00 22.05 C ATOM 1932 CD ARG A 126 28.645 11.490 -13.859 1.00 22.88 C ATOM 1933 NE ARG A 126 29.867 10.778 -14.223 1.00 23.53 N ATOM 1934 CZ ARG A 126 30.889 11.343 -14.859 1.00 24.32 C ATOM 1935 NH1 ARG A 126 30.839 12.625 -15.198 1.00 24.55 N ATOM 1936 NH2 ARG A 126 31.964 10.624 -15.155 1.00 24.95 N ATOM 0 H ARG A 126 26.621 7.086 -14.103 1.00 19.67 H new ATOM 0 HA ARG A 126 26.935 8.355 -11.618 1.00 20.18 H new ATOM 0 HB2 ARG A 126 28.347 8.752 -13.609 1.00 21.37 H new ATOM 0 HB3 ARG A 126 26.984 9.459 -14.454 1.00 21.37 H new ATOM 0 HG2 ARG A 126 26.870 11.241 -12.680 1.00 22.05 H new ATOM 0 HG3 ARG A 126 28.313 10.563 -11.953 1.00 22.05 H new ATOM 0 HD2 ARG A 126 28.073 11.712 -14.760 1.00 22.88 H new ATOM 0 HD3 ARG A 126 28.904 12.445 -13.403 1.00 22.88 H new ATOM 0 HE ARG A 126 29.941 9.791 -13.975 1.00 23.53 H new ATOM 0 HH11 ARG A 126 30.014 13.181 -14.971 1.00 24.55 H new ATOM 0 HH12 ARG A 126 31.625 13.055 -15.686 1.00 24.55 H new ATOM 0 HH21 ARG A 126 32.006 9.639 -14.895 1.00 24.95 H new ATOM 0 HH22 ARG A 126 32.748 11.057 -15.643 1.00 24.95 H new ATOM 1950 N GLU A 127 24.232 9.129 -13.289 1.00 18.69 N ATOM 1951 CA GLU A 127 22.951 9.820 -13.212 1.00 17.91 C ATOM 1952 C GLU A 127 22.123 9.314 -12.039 1.00 16.85 C ATOM 1953 O GLU A 127 21.192 9.984 -11.590 1.00 16.48 O ATOM 1954 CB GLU A 127 22.174 9.636 -14.516 1.00 17.50 C ATOM 1955 CG GLU A 127 22.781 10.378 -15.692 1.00 18.61 C ATOM 1956 CD GLU A 127 21.932 10.282 -16.943 1.00 18.51 C ATOM 1957 OE1 GLU A 127 22.079 9.289 -17.686 1.00 18.54 O ATOM 1958 OE2 GLU A 127 21.118 11.200 -17.182 1.00 18.51 O ATOM 0 H GLU A 127 24.326 8.505 -14.091 1.00 18.69 H new ATOM 0 HA GLU A 127 23.149 10.881 -13.057 1.00 17.91 H new ATOM 0 HB2 GLU A 127 22.125 8.573 -14.753 1.00 17.50 H new ATOM 0 HB3 GLU A 127 21.149 9.978 -14.370 1.00 17.50 H new ATOM 0 HG2 GLU A 127 22.912 11.427 -15.426 1.00 18.61 H new ATOM 0 HG3 GLU A 127 23.772 9.975 -15.898 1.00 18.61 H new ATOM 1965 N ALA A 128 22.467 8.129 -11.545 1.00 16.47 N ATOM 1966 CA ALA A 128 21.750 7.536 -10.423 1.00 15.57 C ATOM 1967 C ALA A 128 22.637 7.444 -9.189 1.00 16.23 C ATOM 1968 O ALA A 128 22.177 7.058 -8.113 1.00 15.78 O ATOM 1969 CB ALA A 128 21.230 6.160 -10.800 1.00 14.84 C ATOM 0 H ALA A 128 23.236 7.562 -11.903 1.00 16.47 H new ATOM 0 HA ALA A 128 20.905 8.182 -10.184 1.00 15.57 H new ATOM 0 HB1 ALA A 128 20.696 5.728 -9.953 1.00 14.84 H new ATOM 0 HB2 ALA A 128 20.553 6.247 -11.649 1.00 14.84 H new ATOM 0 HB3 ALA A 128 22.067 5.516 -11.068 1.00 14.84 H new ATOM 1975 N ASP A 129 23.906 7.802 -9.345 1.00 17.37 N ATOM 1976 CA ASP A 129 24.851 7.749 -8.236 1.00 18.16 C ATOM 1977 C ASP A 129 25.185 9.150 -7.739 1.00 18.88 C ATOM 1978 O ASP A 129 25.979 9.868 -8.348 1.00 19.74 O ATOM 1979 CB ASP A 129 26.124 7.016 -8.661 1.00 19.04 C ATOM 1980 CG ASP A 129 27.168 6.978 -7.564 1.00 19.91 C ATOM 1981 OD1 ASP A 129 26.798 6.704 -6.404 1.00 20.17 O ATOM 1982 OD2 ASP A 129 28.355 7.228 -7.864 1.00 20.40 O ATOM 0 H ASP A 129 24.303 8.131 -10.225 1.00 17.37 H new ATOM 0 HA ASP A 129 24.387 7.201 -7.416 1.00 18.16 H new ATOM 0 HB2 ASP A 129 25.872 5.997 -8.953 1.00 19.04 H new ATOM 0 HB3 ASP A 129 26.544 7.505 -9.540 1.00 19.04 H new ATOM 1987 N PHE A 130 24.566 9.532 -6.626 1.00 18.61 N ATOM 1988 CA PHE A 130 24.786 10.849 -6.038 1.00 19.35 C ATOM 1989 C PHE A 130 25.988 10.845 -5.100 1.00 20.46 C ATOM 1990 O PHE A 130 26.801 11.771 -5.114 1.00 21.43 O ATOM 1991 CB PHE A 130 23.538 11.304 -5.280 1.00 18.69 C ATOM 1992 CG PHE A 130 22.370 11.610 -6.174 1.00 17.66 C ATOM 1993 CD1 PHE A 130 21.525 10.598 -6.601 1.00 17.07 C ATOM 1994 CD2 PHE A 130 22.119 12.908 -6.587 1.00 17.35 C ATOM 1995 CE1 PHE A 130 20.449 10.878 -7.424 1.00 16.17 C ATOM 1996 CE2 PHE A 130 21.047 13.194 -7.409 1.00 16.46 C ATOM 1997 CZ PHE A 130 20.211 12.177 -7.828 1.00 15.86 C ATOM 0 H PHE A 130 23.907 8.947 -6.112 1.00 18.61 H new ATOM 0 HA PHE A 130 24.991 11.546 -6.850 1.00 19.35 H new ATOM 0 HB2 PHE A 130 23.249 10.527 -4.572 1.00 18.69 H new ATOM 0 HB3 PHE A 130 23.781 12.192 -4.697 1.00 18.69 H new ATOM 0 HD1 PHE A 130 21.708 9.581 -6.288 1.00 17.07 H new ATOM 0 HD2 PHE A 130 22.770 13.706 -6.262 1.00 17.35 H new ATOM 0 HE1 PHE A 130 19.796 10.082 -7.750 1.00 16.17 H new ATOM 0 HE2 PHE A 130 20.862 14.211 -7.724 1.00 16.46 H new ATOM 0 HZ PHE A 130 19.372 12.398 -8.471 1.00 15.86 H new ATOM 2007 N ASP A 131 26.098 9.798 -4.287 1.00 20.37 N ATOM 2008 CA ASP A 131 27.200 9.677 -3.340 1.00 21.43 C ATOM 2009 C ASP A 131 28.541 9.670 -4.064 1.00 22.32 C ATOM 2010 O ASP A 131 29.574 10.006 -3.485 1.00 23.37 O ATOM 2011 CB ASP A 131 27.045 8.402 -2.512 1.00 21.16 C ATOM 2012 CG ASP A 131 26.863 7.171 -3.376 1.00 20.32 C ATOM 2013 OD1 ASP A 131 25.705 6.856 -3.725 1.00 20.09 O ATOM 2014 OD2 ASP A 131 27.877 6.522 -3.705 1.00 19.96 O ATOM 0 H ASP A 131 25.437 9.022 -4.266 1.00 20.37 H new ATOM 0 HA ASP A 131 27.174 10.540 -2.675 1.00 21.43 H new ATOM 0 HB2 ASP A 131 27.924 8.273 -1.881 1.00 21.16 H new ATOM 0 HB3 ASP A 131 26.188 8.506 -1.847 1.00 21.16 H new ATOM 2019 N GLY A 132 28.516 9.284 -5.336 1.00 21.94 N ATOM 2020 CA GLY A 132 29.732 9.246 -6.126 1.00 22.81 C ATOM 2021 C GLY A 132 30.736 8.235 -5.608 1.00 23.39 C ATOM 2022 O GLY A 132 31.706 8.600 -4.942 1.00 24.32 O ATOM 0 H GLY A 132 27.673 8.997 -5.834 1.00 21.94 H new ATOM 0 HA2 GLY A 132 29.481 9.006 -7.159 1.00 22.81 H new ATOM 0 HA3 GLY A 132 30.189 10.236 -6.130 1.00 22.81 H new ATOM 2026 N ASP A 133 30.504 6.961 -5.912 1.00 22.90 N ATOM 2027 CA ASP A 133 31.404 5.898 -5.478 1.00 23.47 C ATOM 2028 C ASP A 133 31.522 4.817 -6.549 1.00 23.33 C ATOM 2029 O ASP A 133 32.142 3.777 -6.330 1.00 23.88 O ATOM 2030 CB ASP A 133 30.913 5.286 -4.164 1.00 23.07 C ATOM 2031 CG ASP A 133 29.756 4.325 -4.361 1.00 21.88 C ATOM 2032 OD1 ASP A 133 28.876 4.617 -5.198 1.00 21.33 O ATOM 2033 OD2 ASP A 133 29.730 3.282 -3.676 1.00 21.56 O ATOM 0 H ASP A 133 29.703 6.641 -6.456 1.00 22.90 H new ATOM 0 HA ASP A 133 32.390 6.333 -5.317 1.00 23.47 H new ATOM 0 HB2 ASP A 133 31.738 4.761 -3.682 1.00 23.07 H new ATOM 0 HB3 ASP A 133 30.606 6.085 -3.489 1.00 23.07 H new ATOM 2038 N GLY A 134 30.924 5.075 -7.710 1.00 22.67 N ATOM 2039 CA GLY A 134 30.973 4.119 -8.802 1.00 22.60 C ATOM 2040 C GLY A 134 30.198 2.850 -8.504 1.00 21.81 C ATOM 2041 O GLY A 134 30.427 1.816 -9.129 1.00 21.94 O ATOM 0 H GLY A 134 30.406 5.930 -7.913 1.00 22.67 H new ATOM 0 HA2 GLY A 134 30.571 4.582 -9.703 1.00 22.60 H new ATOM 0 HA3 GLY A 134 32.012 3.865 -9.011 1.00 22.60 H new ATOM 2045 N MET A 135 29.281 2.931 -7.546 1.00 21.09 N ATOM 2046 CA MET A 135 28.468 1.781 -7.167 1.00 20.37 C ATOM 2047 C MET A 135 27.010 2.192 -6.977 1.00 19.18 C ATOM 2048 O MET A 135 26.714 3.353 -6.692 1.00 19.03 O ATOM 2049 CB MET A 135 29.008 1.144 -5.885 1.00 20.92 C ATOM 2050 CG MET A 135 30.483 0.780 -5.964 1.00 22.12 C ATOM 2051 SD MET A 135 31.069 -0.084 -4.494 1.00 22.91 S ATOM 2052 CE MET A 135 30.141 -1.611 -4.611 1.00 22.22 C ATOM 0 H MET A 135 29.082 3.781 -7.018 1.00 21.09 H new ATOM 0 HA MET A 135 28.519 1.047 -7.971 1.00 20.37 H new ATOM 0 HB2 MET A 135 28.856 1.833 -5.054 1.00 20.92 H new ATOM 0 HB3 MET A 135 28.431 0.246 -5.664 1.00 20.92 H new ATOM 0 HG2 MET A 135 30.651 0.153 -6.840 1.00 22.12 H new ATOM 0 HG3 MET A 135 31.070 1.688 -6.104 1.00 22.12 H new ATOM 0 HE1 MET A 135 29.366 -1.625 -3.845 1.00 22.22 H new ATOM 0 HE2 MET A 135 29.679 -1.681 -5.596 1.00 22.22 H new ATOM 0 HE3 MET A 135 30.812 -2.457 -4.464 1.00 22.22 H new ATOM 2062 N ILE A 136 26.103 1.232 -7.136 1.00 18.41 N ATOM 2063 CA ILE A 136 24.676 1.497 -6.991 1.00 17.25 C ATOM 2064 C ILE A 136 24.089 0.753 -5.803 1.00 16.93 C ATOM 2065 O ILE A 136 24.487 -0.369 -5.495 1.00 17.36 O ATOM 2066 CB ILE A 136 23.893 1.090 -8.260 1.00 16.55 C ATOM 2067 CG1 ILE A 136 24.336 1.935 -9.460 1.00 16.94 C ATOM 2068 CG2 ILE A 136 22.386 1.220 -8.035 1.00 15.33 C ATOM 2069 CD1 ILE A 136 24.066 3.419 -9.301 1.00 16.79 C ATOM 0 H ILE A 136 26.331 0.265 -7.365 1.00 18.41 H new ATOM 0 HA ILE A 136 24.578 2.571 -6.832 1.00 17.25 H new ATOM 0 HB ILE A 136 24.114 0.045 -8.475 1.00 16.55 H new ATOM 0 HG12 ILE A 136 25.403 1.785 -9.623 1.00 16.94 H new ATOM 0 HG13 ILE A 136 23.824 1.576 -10.353 1.00 16.94 H new ATOM 0 HG21 ILE A 136 21.856 0.928 -8.942 1.00 15.33 H new ATOM 0 HG22 ILE A 136 22.083 0.571 -7.213 1.00 15.33 H new ATOM 0 HG23 ILE A 136 22.143 2.254 -7.789 1.00 15.33 H new ATOM 0 HD11 ILE A 136 24.407 3.948 -10.191 1.00 16.79 H new ATOM 0 HD12 ILE A 136 22.996 3.582 -9.170 1.00 16.79 H new ATOM 0 HD13 ILE A 136 24.600 3.795 -8.428 1.00 16.79 H new ATOM 2081 N ASN A 137 23.133 1.392 -5.148 1.00 16.28 N ATOM 2082 CA ASN A 137 22.451 0.807 -4.006 1.00 16.03 C ATOM 2083 C ASN A 137 20.989 0.582 -4.363 1.00 14.85 C ATOM 2084 O ASN A 137 20.478 1.226 -5.277 1.00 14.21 O ATOM 2085 CB ASN A 137 22.571 1.723 -2.784 1.00 16.50 C ATOM 2086 CG ASN A 137 21.885 1.160 -1.554 1.00 16.54 C ATOM 2087 OD1 ASN A 137 21.310 1.901 -0.757 1.00 16.44 O ATOM 2088 ND2 ASN A 137 21.951 -0.156 -1.385 1.00 16.82 N ATOM 0 H ASN A 137 22.809 2.328 -5.392 1.00 16.28 H new ATOM 0 HA ASN A 137 22.914 -0.148 -3.756 1.00 16.03 H new ATOM 0 HB2 ASN A 137 23.625 1.888 -2.562 1.00 16.50 H new ATOM 0 HB3 ASN A 137 22.139 2.695 -3.021 1.00 16.50 H new ATOM 0 HD21 ASN A 137 21.515 -0.588 -0.570 1.00 16.82 H new ATOM 0 HD22 ASN A 137 22.438 -0.734 -2.070 1.00 16.82 H new ATOM 2095 N TYR A 138 20.326 -0.345 -3.675 1.00 14.65 N ATOM 2096 CA TYR A 138 18.917 -0.630 -3.943 1.00 13.62 C ATOM 2097 C TYR A 138 18.125 0.662 -4.168 1.00 12.81 C ATOM 2098 O TYR A 138 17.089 0.660 -4.833 1.00 11.86 O ATOM 2099 CB TYR A 138 18.311 -1.431 -2.785 1.00 13.81 C ATOM 2100 CG TYR A 138 16.804 -1.568 -2.859 1.00 12.91 C ATOM 2101 CD1 TYR A 138 16.198 -2.199 -3.938 1.00 12.17 C ATOM 2102 CD2 TYR A 138 15.990 -1.071 -1.848 1.00 12.92 C ATOM 2103 CE1 TYR A 138 14.824 -2.332 -4.007 1.00 11.46 C ATOM 2104 CE2 TYR A 138 14.616 -1.200 -1.911 1.00 12.20 C ATOM 2105 CZ TYR A 138 14.036 -1.807 -2.996 1.00 11.46 C ATOM 2106 OH TYR A 138 12.669 -1.962 -3.058 1.00 10.87 O ATOM 0 H TYR A 138 20.738 -0.909 -2.932 1.00 14.65 H new ATOM 0 HA TYR A 138 18.858 -1.224 -4.855 1.00 13.62 H new ATOM 0 HB2 TYR A 138 18.757 -2.426 -2.771 1.00 13.81 H new ATOM 0 HB3 TYR A 138 18.577 -0.949 -1.844 1.00 13.81 H new ATOM 0 HD1 TYR A 138 16.810 -2.592 -4.736 1.00 12.17 H new ATOM 0 HD2 TYR A 138 16.439 -0.576 -1.000 1.00 12.92 H new ATOM 0 HE1 TYR A 138 14.368 -2.842 -4.843 1.00 11.46 H new ATOM 0 HE2 TYR A 138 14.000 -0.824 -1.108 1.00 12.20 H new ATOM 0 HH TYR A 138 12.256 -1.540 -2.276 1.00 10.87 H new ATOM 2116 N GLU A 139 18.635 1.763 -3.625 1.00 13.28 N ATOM 2117 CA GLU A 139 17.984 3.062 -3.763 1.00 12.75 C ATOM 2118 C GLU A 139 18.315 3.688 -5.113 1.00 12.57 C ATOM 2119 O GLU A 139 17.421 4.040 -5.885 1.00 11.70 O ATOM 2120 CB GLU A 139 18.417 3.997 -2.632 1.00 13.59 C ATOM 2121 CG GLU A 139 17.945 3.548 -1.260 1.00 13.94 C ATOM 2122 CD GLU A 139 18.374 4.498 -0.159 1.00 14.48 C ATOM 2123 OE1 GLU A 139 19.474 4.303 0.398 1.00 14.68 O ATOM 2124 OE2 GLU A 139 17.609 5.439 0.145 1.00 14.82 O ATOM 0 H GLU A 139 19.499 1.782 -3.084 1.00 13.28 H new ATOM 0 HA GLU A 139 16.906 2.912 -3.704 1.00 12.75 H new ATOM 0 HB2 GLU A 139 19.505 4.069 -2.628 1.00 13.59 H new ATOM 0 HB3 GLU A 139 18.032 4.997 -2.831 1.00 13.59 H new ATOM 0 HG2 GLU A 139 16.858 3.466 -1.262 1.00 13.94 H new ATOM 0 HG3 GLU A 139 18.339 2.553 -1.051 1.00 13.94 H new ATOM 2131 N GLU A 140 19.610 3.822 -5.390 1.00 13.49 N ATOM 2132 CA GLU A 140 20.071 4.400 -6.646 1.00 13.65 C ATOM 2133 C GLU A 140 19.514 3.614 -7.833 1.00 13.01 C ATOM 2134 O GLU A 140 19.302 4.166 -8.913 1.00 12.80 O ATOM 2135 CB GLU A 140 21.603 4.418 -6.686 1.00 14.90 C ATOM 2136 CG GLU A 140 22.236 5.205 -5.550 1.00 15.69 C ATOM 2137 CD GLU A 140 23.729 4.956 -5.432 1.00 16.90 C ATOM 2138 OE1 GLU A 140 24.458 5.248 -6.402 1.00 17.35 O ATOM 2139 OE2 GLU A 140 24.167 4.465 -4.371 1.00 17.46 O ATOM 0 H GLU A 140 20.359 3.537 -4.759 1.00 13.49 H new ATOM 0 HA GLU A 140 19.707 5.425 -6.714 1.00 13.65 H new ATOM 0 HB2 GLU A 140 21.970 3.392 -6.654 1.00 14.90 H new ATOM 0 HB3 GLU A 140 21.928 4.843 -7.636 1.00 14.90 H new ATOM 0 HG2 GLU A 140 22.060 6.269 -5.707 1.00 15.69 H new ATOM 0 HG3 GLU A 140 21.751 4.936 -4.612 1.00 15.69 H new ATOM 2146 N PHE A 141 19.274 2.320 -7.618 1.00 12.87 N ATOM 2147 CA PHE A 141 18.728 1.452 -8.657 1.00 12.46 C ATOM 2148 C PHE A 141 17.261 1.790 -8.906 1.00 11.27 C ATOM 2149 O PHE A 141 16.863 2.083 -10.033 1.00 11.00 O ATOM 2150 CB PHE A 141 18.873 -0.018 -8.247 1.00 12.80 C ATOM 2151 CG PHE A 141 18.241 -0.988 -9.208 1.00 12.57 C ATOM 2152 CD1 PHE A 141 18.909 -1.385 -10.355 1.00 12.93 C ATOM 2153 CD2 PHE A 141 16.978 -1.501 -8.964 1.00 12.17 C ATOM 2154 CE1 PHE A 141 18.331 -2.271 -11.240 1.00 12.93 C ATOM 2155 CE2 PHE A 141 16.394 -2.389 -9.845 1.00 12.17 C ATOM 2156 CZ PHE A 141 17.071 -2.774 -10.986 1.00 12.56 C ATOM 0 H PHE A 141 19.451 1.850 -6.730 1.00 12.87 H new ATOM 0 HA PHE A 141 19.285 1.613 -9.580 1.00 12.46 H new ATOM 0 HB2 PHE A 141 19.933 -0.255 -8.152 1.00 12.80 H new ATOM 0 HB3 PHE A 141 18.426 -0.155 -7.262 1.00 12.80 H new ATOM 0 HD1 PHE A 141 19.895 -0.996 -10.559 1.00 12.93 H new ATOM 0 HD2 PHE A 141 16.444 -1.203 -8.074 1.00 12.17 H new ATOM 0 HE1 PHE A 141 18.864 -2.571 -12.130 1.00 12.93 H new ATOM 0 HE2 PHE A 141 15.409 -2.782 -9.642 1.00 12.17 H new ATOM 0 HZ PHE A 141 16.615 -3.467 -11.678 1.00 12.56 H new ATOM 2166 N VAL A 142 16.469 1.746 -7.839 1.00 10.70 N ATOM 2167 CA VAL A 142 15.045 2.059 -7.908 1.00 9.58 C ATOM 2168 C VAL A 142 14.791 3.346 -8.696 1.00 9.23 C ATOM 2169 O VAL A 142 13.794 3.465 -9.416 1.00 8.50 O ATOM 2170 CB VAL A 142 14.449 2.200 -6.488 1.00 9.36 C ATOM 2171 CG1 VAL A 142 13.153 3.000 -6.504 1.00 8.32 C ATOM 2172 CG2 VAL A 142 14.221 0.828 -5.871 1.00 9.69 C ATOM 0 H VAL A 142 16.794 1.494 -6.906 1.00 10.70 H new ATOM 0 HA VAL A 142 14.557 1.233 -8.426 1.00 9.58 H new ATOM 0 HB VAL A 142 15.168 2.746 -5.877 1.00 9.36 H new ATOM 0 HG11 VAL A 142 12.762 3.079 -5.490 1.00 8.32 H new ATOM 0 HG12 VAL A 142 13.346 3.998 -6.898 1.00 8.32 H new ATOM 0 HG13 VAL A 142 12.422 2.496 -7.136 1.00 8.32 H new ATOM 0 HG21 VAL A 142 13.801 0.944 -4.872 1.00 9.69 H new ATOM 0 HG22 VAL A 142 13.528 0.260 -6.492 1.00 9.69 H new ATOM 0 HG23 VAL A 142 15.170 0.296 -5.807 1.00 9.69 H new ATOM 2182 N TRP A 143 15.702 4.302 -8.569 1.00 9.94 N ATOM 2183 CA TRP A 143 15.555 5.576 -9.256 1.00 9.97 C ATOM 2184 C TRP A 143 15.818 5.457 -10.756 1.00 10.29 C ATOM 2185 O TRP A 143 14.966 5.809 -11.563 1.00 9.82 O ATOM 2186 CB TRP A 143 16.490 6.627 -8.656 1.00 10.95 C ATOM 2187 CG TRP A 143 16.287 7.988 -9.244 1.00 11.20 C ATOM 2188 CD1 TRP A 143 15.464 8.978 -8.790 1.00 10.93 C ATOM 2189 CD2 TRP A 143 16.920 8.496 -10.413 1.00 11.97 C ATOM 2190 NE1 TRP A 143 15.549 10.074 -9.618 1.00 11.51 N ATOM 2191 CE2 TRP A 143 16.440 9.799 -10.623 1.00 12.15 C ATOM 2192 CE3 TRP A 143 17.847 7.965 -11.300 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 16.862 10.581 -11.695 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 18.270 8.734 -12.365 1.00 13.49 C ATOM 2195 CH2 TRP A 143 17.777 10.032 -12.556 1.00 13.66 C ATOM 0 H TRP A 143 16.545 4.220 -8.000 1.00 9.94 H new ATOM 0 HA TRP A 143 14.520 5.888 -9.119 1.00 9.97 H new ATOM 0 HB2 TRP A 143 16.332 6.675 -7.579 1.00 10.95 H new ATOM 0 HB3 TRP A 143 17.524 6.319 -8.813 1.00 10.95 H new ATOM 0 HD1 TRP A 143 14.839 8.911 -7.912 1.00 10.93 H new ATOM 0 HE1 TRP A 143 15.034 10.947 -9.503 1.00 11.51 H new ATOM 0 HE3 TRP A 143 18.231 6.966 -11.159 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 16.483 11.582 -11.843 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 18.991 8.330 -13.061 1.00 13.49 H new ATOM 0 HH2 TRP A 143 18.125 10.611 -13.398 1.00 13.66 H new ATOM 2206 N MET A 144 16.989 4.951 -11.131 1.00 11.22 N ATOM 2207 CA MET A 144 17.342 4.844 -12.546 1.00 11.83 C ATOM 2208 C MET A 144 16.416 3.908 -13.321 1.00 11.29 C ATOM 2209 O MET A 144 16.344 3.993 -14.546 1.00 11.65 O ATOM 2210 CB MET A 144 18.800 4.414 -12.715 1.00 13.01 C ATOM 2211 CG MET A 144 19.112 3.038 -12.164 1.00 13.05 C ATOM 2212 SD MET A 144 20.781 2.495 -12.591 1.00 14.50 S ATOM 2213 CE MET A 144 20.953 1.032 -11.572 1.00 14.50 C ATOM 0 H MET A 144 17.703 4.612 -10.486 1.00 11.22 H new ATOM 0 HA MET A 144 17.214 5.840 -12.971 1.00 11.83 H new ATOM 0 HB2 MET A 144 19.052 4.434 -13.775 1.00 13.01 H new ATOM 0 HB3 MET A 144 19.441 5.144 -12.222 1.00 13.01 H new ATOM 0 HG2 MET A 144 19.002 3.049 -11.080 1.00 13.05 H new ATOM 0 HG3 MET A 144 18.388 2.321 -12.551 1.00 13.05 H new ATOM 0 HE1 MET A 144 22.001 0.734 -11.537 1.00 14.50 H new ATOM 0 HE2 MET A 144 20.603 1.249 -10.563 1.00 14.50 H new ATOM 0 HE3 MET A 144 20.360 0.222 -11.996 1.00 14.50 H new ATOM 2223 N ILE A 145 15.711 3.022 -12.626 1.00 10.61 N ATOM 2224 CA ILE A 145 14.801 2.095 -13.298 1.00 10.28 C ATOM 2225 C ILE A 145 13.457 2.744 -13.619 1.00 9.33 C ATOM 2226 O ILE A 145 12.968 2.639 -14.744 1.00 9.45 O ATOM 2227 CB ILE A 145 14.557 0.821 -12.476 1.00 10.17 C ATOM 2228 CG1 ILE A 145 13.898 1.167 -11.141 1.00 9.32 C ATOM 2229 CG2 ILE A 145 15.864 0.077 -12.263 1.00 11.25 C ATOM 2230 CD1 ILE A 145 13.598 -0.043 -10.284 1.00 9.30 C ATOM 0 H ILE A 145 15.749 2.924 -11.611 1.00 10.61 H new ATOM 0 HA ILE A 145 15.296 1.823 -14.230 1.00 10.28 H new ATOM 0 HB ILE A 145 13.879 0.169 -13.027 1.00 10.17 H new ATOM 0 HG12 ILE A 145 14.551 1.842 -10.587 1.00 9.32 H new ATOM 0 HG13 ILE A 145 12.970 1.706 -11.332 1.00 9.32 H new ATOM 0 HG21 ILE A 145 15.679 -0.824 -11.679 1.00 11.25 H new ATOM 0 HG22 ILE A 145 16.288 -0.197 -13.229 1.00 11.25 H new ATOM 0 HG23 ILE A 145 16.565 0.718 -11.728 1.00 11.25 H new ATOM 0 HD11 ILE A 145 13.131 0.278 -9.353 1.00 9.30 H new ATOM 0 HD12 ILE A 145 12.921 -0.709 -10.819 1.00 9.30 H new ATOM 0 HD13 ILE A 145 14.526 -0.571 -10.062 1.00 9.30 H new ATOM 2242 N SER A 146 12.857 3.407 -12.632 1.00 8.54 N ATOM 2243 CA SER A 146 11.566 4.057 -12.837 1.00 7.66 C ATOM 2244 C SER A 146 11.701 5.168 -13.864 1.00 8.22 C ATOM 2245 O SER A 146 10.710 5.677 -14.389 1.00 7.89 O ATOM 2246 CB SER A 146 11.035 4.625 -11.521 1.00 6.98 C ATOM 2247 OG SER A 146 9.870 5.404 -11.736 1.00 6.80 O ATOM 0 H SER A 146 13.240 3.507 -11.692 1.00 8.54 H new ATOM 0 HA SER A 146 10.859 3.314 -13.205 1.00 7.66 H new ATOM 0 HB2 SER A 146 10.810 3.810 -10.834 1.00 6.98 H new ATOM 0 HB3 SER A 146 11.804 5.237 -11.049 1.00 6.98 H new ATOM 0 HG SER A 146 9.549 5.755 -10.879 1.00 6.80 H new ATOM 2253 N GLN A 147 12.943 5.531 -14.141 1.00 9.26 N ATOM 2254 CA GLN A 147 13.247 6.589 -15.088 1.00 10.11 C ATOM 2255 C GLN A 147 14.190 6.074 -16.171 1.00 11.05 C ATOM 2256 O GLN A 147 14.839 6.848 -16.875 1.00 11.87 O ATOM 2257 CB GLN A 147 13.873 7.760 -14.335 1.00 10.77 C ATOM 2258 CG GLN A 147 13.418 7.839 -12.884 1.00 10.15 C ATOM 2259 CD GLN A 147 11.986 8.317 -12.732 1.00 9.47 C ATOM 2260 OE1 GLN A 147 11.485 9.090 -13.549 1.00 10.00 O ATOM 2261 NE2 GLN A 147 11.320 7.853 -11.677 1.00 8.44 N ATOM 0 H GLN A 147 13.765 5.102 -13.717 1.00 9.26 H new ATOM 0 HA GLN A 147 12.331 6.923 -15.575 1.00 10.11 H new ATOM 0 HB2 GLN A 147 14.959 7.667 -14.366 1.00 10.77 H new ATOM 0 HB3 GLN A 147 13.618 8.690 -14.842 1.00 10.77 H new ATOM 0 HG2 GLN A 147 13.517 6.855 -12.425 1.00 10.15 H new ATOM 0 HG3 GLN A 147 14.079 8.513 -12.339 1.00 10.15 H new ATOM 0 HE21 GLN A 147 11.777 7.214 -11.026 1.00 8.44 H new ATOM 0 HE22 GLN A 147 10.353 8.137 -11.519 1.00 8.44 H new ATOM 2270 N LYS A 148 14.251 4.750 -16.289 1.00 11.08 N ATOM 2271 CA LYS A 148 15.107 4.090 -17.269 1.00 12.08 C ATOM 2272 C LYS A 148 14.567 4.278 -18.683 1.00 12.24 C ATOM 2273 O LYS A 148 14.986 5.245 -19.353 1.00 12.44 O ATOM 2274 CB LYS A 148 15.214 2.599 -16.936 1.00 12.12 C ATOM 2275 CG LYS A 148 16.528 1.961 -17.359 1.00 12.94 C ATOM 2276 CD LYS A 148 16.835 0.712 -16.540 1.00 13.10 C ATOM 2277 CE LYS A 148 15.803 -0.382 -16.765 1.00 13.06 C ATOM 2278 NZ LYS A 148 15.763 -0.825 -18.187 1.00 13.68 N ATOM 2279 OXT LYS A 148 13.726 3.456 -19.110 1.00 12.34 O ATOM 0 H LYS A 148 13.710 4.107 -15.710 1.00 11.08 H new ATOM 0 HA LYS A 148 16.098 4.543 -17.226 1.00 12.08 H new ATOM 0 HB2 LYS A 148 15.088 2.468 -15.861 1.00 12.12 H new ATOM 0 HB3 LYS A 148 14.393 2.070 -17.420 1.00 12.12 H new ATOM 0 HG2 LYS A 148 16.483 1.701 -18.417 1.00 12.94 H new ATOM 0 HG3 LYS A 148 17.337 2.682 -17.242 1.00 12.94 H new ATOM 0 HD2 LYS A 148 17.824 0.338 -16.805 1.00 13.10 H new ATOM 0 HD3 LYS A 148 16.865 0.970 -15.481 1.00 13.10 H new ATOM 0 HE2 LYS A 148 16.033 -1.234 -16.126 1.00 13.06 H new ATOM 0 HE3 LYS A 148 14.819 -0.018 -16.470 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 15.277 -1.742 -18.251 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 15.251 -0.121 -18.756 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 16.734 -0.922 -18.548 1.00 13.68 H new