USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 839 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 80 THR OG1 : rot -82:sc= -0.0485 USER MOD Set 1.2: A 82 LYS NZ :NH3+ 163:sc= 0.88 (180deg=-0.428) USER MOD Set 1.3: A 83 ASN : amide:sc= 0.929 K(o=1.8,f=-6.1) USER MOD Set 2.1: A 20 GLN : amide:sc= -8.42! C(o=-7.7!,f=-9.5!) USER MOD Set 2.2: A 62 CYS SG : rot 145:sc= 0.755 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot -144:sc= -1.01 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= -0.888 (180deg=-1.74!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.0358 (180deg=-0.517) USER MOD Single : A 15 HIS : no HD1:sc= -8.32! C(o=-8.3!,f=-9.8!) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.382 (180deg=-0.882) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 44:sc= -0.255! USER MOD Single : A 30 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.6!) USER MOD Single : A 32 GLN : amide:sc= -7.19! C(o=-7.2!,f=-13!) USER MOD Single : A 36 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 81:sc= -1.42 USER MOD Single : A 46 THR OG1 : rot -36:sc= 0.679 USER MOD Single : A 53 SER OG : rot -170:sc= -2.11 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.111 (180deg=-0.744) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.241 -11.342 8.436 1.00 0.00 N ATOM 2 CA ALA A 1 -17.331 -12.520 8.509 1.00 0.00 C ATOM 3 C ALA A 1 -17.785 -13.579 7.503 1.00 0.00 C ATOM 4 O ALA A 1 -17.925 -14.742 7.831 1.00 0.00 O ATOM 5 CB ALA A 1 -17.370 -13.108 9.922 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.932 -10.622 9.120 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.215 -10.942 7.476 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.212 -11.639 8.661 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.314 -12.208 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.705 -13.970 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.046 -12.354 10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.387 -13.420 10.158 1.00 0.00 H new ATOM 11 N GLY A 2 -18.016 -13.188 6.280 1.00 0.00 N ATOM 12 CA GLY A 2 -18.460 -14.171 5.253 1.00 0.00 C ATOM 13 C GLY A 2 -18.445 -13.513 3.873 1.00 0.00 C ATOM 14 O GLY A 2 -19.370 -13.655 3.098 1.00 0.00 O ATOM 0 H GLY A 2 -17.916 -12.229 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.803 -15.041 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.463 -14.528 5.486 1.00 0.00 H new ATOM 18 N TYR A 3 -17.402 -12.793 3.559 1.00 0.00 N ATOM 19 CA TYR A 3 -17.332 -12.127 2.227 1.00 0.00 C ATOM 20 C TYR A 3 -16.938 -13.155 1.165 1.00 0.00 C ATOM 21 O TYR A 3 -16.058 -13.967 1.371 1.00 0.00 O ATOM 22 CB TYR A 3 -16.291 -11.004 2.271 1.00 0.00 C ATOM 23 CG TYR A 3 -14.901 -11.594 2.278 1.00 0.00 C ATOM 24 CD1 TYR A 3 -14.313 -12.011 1.078 1.00 0.00 C ATOM 25 CD2 TYR A 3 -14.201 -11.725 3.483 1.00 0.00 C ATOM 26 CE1 TYR A 3 -13.025 -12.559 1.083 1.00 0.00 C ATOM 27 CE2 TYR A 3 -12.914 -12.272 3.488 1.00 0.00 C ATOM 28 CZ TYR A 3 -12.325 -12.690 2.288 1.00 0.00 C ATOM 29 OH TYR A 3 -11.055 -13.229 2.293 1.00 0.00 O ATOM 0 H TYR A 3 -16.597 -12.637 4.166 1.00 0.00 H new ATOM 0 HA TYR A 3 -18.306 -11.705 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.413 -10.349 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -16.441 -10.392 3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -14.853 -11.910 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -14.655 -11.404 4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.571 -12.881 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.374 -12.372 4.418 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.930 -13.764 3.105 1.00 0.00 H new ATOM 39 N THR A 4 -17.583 -13.126 0.028 1.00 0.00 N ATOM 40 CA THR A 4 -17.252 -14.099 -1.055 1.00 0.00 C ATOM 41 C THR A 4 -16.747 -13.340 -2.284 1.00 0.00 C ATOM 42 O THR A 4 -16.582 -12.136 -2.258 1.00 0.00 O ATOM 43 CB THR A 4 -18.507 -14.890 -1.427 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.586 -13.990 -1.639 1.00 0.00 O ATOM 45 CG2 THR A 4 -18.859 -15.854 -0.292 1.00 0.00 C ATOM 0 H THR A 4 -18.328 -12.467 -0.198 1.00 0.00 H new ATOM 0 HA THR A 4 -16.479 -14.784 -0.706 1.00 0.00 H new ATOM 0 HB THR A 4 -18.323 -15.458 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.391 -14.495 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.753 -16.418 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.030 -16.543 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.044 -15.289 0.621 1.00 0.00 H new ATOM 53 N GLU A 5 -16.501 -14.035 -3.360 1.00 0.00 N ATOM 54 CA GLU A 5 -16.007 -13.355 -4.591 1.00 0.00 C ATOM 55 C GLU A 5 -16.901 -12.152 -4.901 1.00 0.00 C ATOM 56 O GLU A 5 -16.426 -11.066 -5.171 1.00 0.00 O ATOM 57 CB GLU A 5 -16.042 -14.335 -5.767 1.00 0.00 C ATOM 58 CG GLU A 5 -15.579 -15.719 -5.301 1.00 0.00 C ATOM 59 CD GLU A 5 -14.266 -15.591 -4.527 1.00 0.00 C ATOM 60 OE1 GLU A 5 -13.349 -14.979 -5.052 1.00 0.00 O ATOM 61 OE2 GLU A 5 -14.197 -16.106 -3.424 1.00 0.00 O ATOM 0 H GLU A 5 -16.621 -15.045 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.983 -13.016 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.052 -14.396 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.398 -13.977 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.342 -16.174 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.443 -16.376 -6.160 1.00 0.00 H new ATOM 68 N ILE A 6 -18.192 -12.336 -4.864 1.00 0.00 N ATOM 69 CA ILE A 6 -19.116 -11.205 -5.156 1.00 0.00 C ATOM 70 C ILE A 6 -18.742 -10.005 -4.286 1.00 0.00 C ATOM 71 O ILE A 6 -18.437 -8.938 -4.782 1.00 0.00 O ATOM 72 CB ILE A 6 -20.553 -11.627 -4.850 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.897 -12.882 -5.656 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.510 -10.498 -5.232 1.00 0.00 C ATOM 75 CD1 ILE A 6 -22.226 -13.459 -5.163 1.00 0.00 C ATOM 0 H ILE A 6 -18.647 -13.222 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.034 -10.932 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.650 -11.839 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.965 -12.638 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.105 -13.623 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.534 -10.800 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.265 -9.604 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.414 -10.284 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -22.470 -14.353 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.141 -13.718 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -23.015 -12.718 -5.292 1.00 0.00 H new ATOM 87 N GLU A 7 -18.760 -10.169 -2.991 1.00 0.00 N ATOM 88 CA GLU A 7 -18.402 -9.036 -2.092 1.00 0.00 C ATOM 89 C GLU A 7 -17.108 -8.389 -2.592 1.00 0.00 C ATOM 90 O GLU A 7 -17.062 -7.209 -2.876 1.00 0.00 O ATOM 91 CB GLU A 7 -18.197 -9.561 -0.663 1.00 0.00 C ATOM 92 CG GLU A 7 -19.487 -9.397 0.148 1.00 0.00 C ATOM 93 CD GLU A 7 -20.582 -10.290 -0.439 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.282 -11.039 -1.354 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.702 -10.209 0.036 1.00 0.00 O ATOM 0 H GLU A 7 -19.007 -11.038 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.204 -8.298 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.907 -10.611 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.384 -9.019 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.309 -9.661 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.807 -8.355 0.133 1.00 0.00 H new ATOM 102 N LYS A 8 -16.057 -9.158 -2.704 1.00 0.00 N ATOM 103 CA LYS A 8 -14.763 -8.594 -3.186 1.00 0.00 C ATOM 104 C LYS A 8 -15.013 -7.684 -4.390 1.00 0.00 C ATOM 105 O LYS A 8 -14.456 -6.613 -4.492 1.00 0.00 O ATOM 106 CB LYS A 8 -13.829 -9.741 -3.594 1.00 0.00 C ATOM 107 CG LYS A 8 -12.990 -10.179 -2.390 1.00 0.00 C ATOM 108 CD LYS A 8 -12.315 -11.521 -2.692 1.00 0.00 C ATOM 109 CE LYS A 8 -11.070 -11.684 -1.815 1.00 0.00 C ATOM 110 NZ LYS A 8 -9.919 -10.986 -2.454 1.00 0.00 N ATOM 0 H LYS A 8 -16.039 -10.153 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.301 -8.013 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.413 -10.582 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.177 -9.420 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.236 -9.424 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.623 -10.270 -1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.011 -12.339 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.038 -11.571 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.254 -11.272 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.841 -12.741 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.266 -10.648 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.420 -11.646 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.267 -10.176 -3.006 1.00 0.00 H new ATOM 124 N LEU A 9 -15.846 -8.095 -5.305 1.00 0.00 N ATOM 125 CA LEU A 9 -16.116 -7.236 -6.491 1.00 0.00 C ATOM 126 C LEU A 9 -16.884 -5.987 -6.050 1.00 0.00 C ATOM 127 O LEU A 9 -16.595 -4.886 -6.475 1.00 0.00 O ATOM 128 CB LEU A 9 -16.950 -8.015 -7.512 1.00 0.00 C ATOM 129 CG LEU A 9 -16.127 -9.177 -8.080 1.00 0.00 C ATOM 130 CD1 LEU A 9 -17.059 -10.156 -8.796 1.00 0.00 C ATOM 131 CD2 LEU A 9 -15.089 -8.645 -9.077 1.00 0.00 C ATOM 0 H LEU A 9 -16.348 -8.982 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.171 -6.941 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.856 -8.396 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.265 -7.353 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.614 -9.685 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.476 -10.983 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.794 -10.542 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.572 -9.642 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.508 -9.477 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.598 -8.133 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.422 -7.947 -8.570 1.00 0.00 H new ATOM 143 N GLU A 10 -17.861 -6.152 -5.202 1.00 0.00 N ATOM 144 CA GLU A 10 -18.652 -4.979 -4.734 1.00 0.00 C ATOM 145 C GLU A 10 -17.727 -3.958 -4.063 1.00 0.00 C ATOM 146 O GLU A 10 -17.776 -2.780 -4.353 1.00 0.00 O ATOM 147 CB GLU A 10 -19.709 -5.446 -3.731 1.00 0.00 C ATOM 148 CG GLU A 10 -20.683 -6.403 -4.421 1.00 0.00 C ATOM 149 CD GLU A 10 -21.514 -5.633 -5.449 1.00 0.00 C ATOM 150 OE1 GLU A 10 -22.495 -5.026 -5.054 1.00 0.00 O ATOM 151 OE2 GLU A 10 -21.155 -5.664 -6.615 1.00 0.00 O ATOM 0 H GLU A 10 -18.146 -7.050 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.139 -4.511 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.230 -5.944 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.249 -4.588 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.134 -7.207 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.337 -6.867 -3.683 1.00 0.00 H new ATOM 158 N ILE A 11 -16.891 -4.398 -3.161 1.00 0.00 N ATOM 159 CA ILE A 11 -15.975 -3.443 -2.469 1.00 0.00 C ATOM 160 C ILE A 11 -14.820 -3.056 -3.397 1.00 0.00 C ATOM 161 O ILE A 11 -14.687 -1.916 -3.782 1.00 0.00 O ATOM 162 CB ILE A 11 -15.413 -4.087 -1.193 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.326 -5.613 -1.365 1.00 0.00 C ATOM 164 CG2 ILE A 11 -16.326 -3.763 -0.006 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.157 -6.159 -0.537 1.00 0.00 C ATOM 0 H ILE A 11 -16.802 -5.373 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.538 -2.548 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.415 -3.689 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.259 -6.079 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.188 -5.863 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.924 -4.221 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.379 -2.683 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.325 -4.154 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.097 -7.240 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.227 -5.703 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.315 -5.922 0.515 1.00 0.00 H new ATOM 177 N VAL A 12 -13.980 -3.993 -3.747 1.00 0.00 N ATOM 178 CA VAL A 12 -12.824 -3.674 -4.636 1.00 0.00 C ATOM 179 C VAL A 12 -13.246 -2.688 -5.722 1.00 0.00 C ATOM 180 O VAL A 12 -12.499 -1.802 -6.081 1.00 0.00 O ATOM 181 CB VAL A 12 -12.298 -4.956 -5.286 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.113 -4.620 -6.193 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.844 -5.933 -4.196 1.00 0.00 C ATOM 0 H VAL A 12 -14.044 -4.968 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.036 -3.222 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.091 -5.414 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.739 -5.533 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.434 -3.925 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.320 -4.162 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.469 -6.846 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.052 -5.475 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.687 -6.174 -3.549 1.00 0.00 H new ATOM 193 N LYS A 13 -14.423 -2.826 -6.258 1.00 0.00 N ATOM 194 CA LYS A 13 -14.851 -1.873 -7.317 1.00 0.00 C ATOM 195 C LYS A 13 -15.382 -0.584 -6.680 1.00 0.00 C ATOM 196 O LYS A 13 -14.979 0.505 -7.038 1.00 0.00 O ATOM 197 CB LYS A 13 -15.941 -2.515 -8.182 1.00 0.00 C ATOM 198 CG LYS A 13 -16.287 -1.594 -9.364 1.00 0.00 C ATOM 199 CD LYS A 13 -17.591 -0.844 -9.076 1.00 0.00 C ATOM 200 CE LYS A 13 -17.833 0.199 -10.169 1.00 0.00 C ATOM 201 NZ LYS A 13 -17.772 -0.457 -11.505 1.00 0.00 N ATOM 0 H LYS A 13 -15.101 -3.548 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.993 -1.630 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.600 -3.482 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.832 -2.699 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.478 -0.883 -9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.389 -2.182 -10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.425 -1.545 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.536 -0.359 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.806 0.670 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.084 0.988 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.225 0.155 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.779 -0.615 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.269 -1.370 -11.467 1.00 0.00 H new ATOM 215 N ASP A 14 -16.287 -0.695 -5.748 1.00 0.00 N ATOM 216 CA ASP A 14 -16.846 0.529 -5.102 1.00 0.00 C ATOM 217 C ASP A 14 -15.742 1.258 -4.331 1.00 0.00 C ATOM 218 O ASP A 14 -15.282 2.306 -4.731 1.00 0.00 O ATOM 219 CB ASP A 14 -17.961 0.130 -4.135 1.00 0.00 C ATOM 220 CG ASP A 14 -18.673 1.387 -3.629 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.763 2.338 -4.387 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.116 1.375 -2.492 1.00 0.00 O ATOM 0 H ASP A 14 -16.664 -1.578 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 14 -17.246 1.190 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.672 -0.527 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.546 -0.429 -3.296 1.00 0.00 H new ATOM 227 N HIS A 15 -15.321 0.705 -3.226 1.00 0.00 N ATOM 228 CA HIS A 15 -14.250 1.347 -2.407 1.00 0.00 C ATOM 229 C HIS A 15 -13.175 1.953 -3.317 1.00 0.00 C ATOM 230 O HIS A 15 -12.606 2.984 -3.019 1.00 0.00 O ATOM 231 CB HIS A 15 -13.630 0.298 -1.471 1.00 0.00 C ATOM 232 CG HIS A 15 -12.308 -0.187 -2.015 1.00 0.00 C ATOM 233 ND1 HIS A 15 -11.129 -0.077 -1.292 1.00 0.00 N ATOM 234 CD2 HIS A 15 -11.964 -0.788 -3.206 1.00 0.00 C ATOM 235 CE1 HIS A 15 -10.141 -0.599 -2.045 1.00 0.00 C ATOM 236 NE2 HIS A 15 -10.598 -1.045 -3.215 1.00 0.00 N ATOM 0 H HIS A 15 -15.677 -0.174 -2.851 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.684 2.150 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.485 0.728 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.313 -0.544 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.649 -1.023 -4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.107 -0.650 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.058 -1.483 -3.961 1.00 0.00 H new ATOM 245 N LEU A 16 -12.877 1.302 -4.406 1.00 0.00 N ATOM 246 CA LEU A 16 -11.818 1.805 -5.331 1.00 0.00 C ATOM 247 C LEU A 16 -11.830 3.339 -5.412 1.00 0.00 C ATOM 248 O LEU A 16 -10.790 3.965 -5.471 1.00 0.00 O ATOM 249 CB LEU A 16 -12.077 1.234 -6.733 1.00 0.00 C ATOM 250 CG LEU A 16 -10.750 0.895 -7.410 1.00 0.00 C ATOM 251 CD1 LEU A 16 -11.022 0.318 -8.801 1.00 0.00 C ATOM 252 CD2 LEU A 16 -9.901 2.164 -7.539 1.00 0.00 C ATOM 0 H LEU A 16 -13.325 0.434 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.847 1.487 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.698 0.341 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.627 1.958 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.213 0.161 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.076 0.076 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.625 -0.586 -8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.559 1.053 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.955 1.921 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.436 2.900 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.708 2.575 -6.548 1.00 0.00 H new ATOM 264 N LEU A 17 -12.979 3.954 -5.441 1.00 0.00 N ATOM 265 CA LEU A 17 -13.009 5.443 -5.549 1.00 0.00 C ATOM 266 C LEU A 17 -12.769 6.102 -4.175 1.00 0.00 C ATOM 267 O LEU A 17 -11.740 6.708 -3.959 1.00 0.00 O ATOM 268 CB LEU A 17 -14.356 5.895 -6.140 1.00 0.00 C ATOM 269 CG LEU A 17 -14.231 6.099 -7.658 1.00 0.00 C ATOM 270 CD1 LEU A 17 -13.287 7.274 -7.962 1.00 0.00 C ATOM 271 CD2 LEU A 17 -13.692 4.816 -8.307 1.00 0.00 C ATOM 0 H LEU A 17 -13.890 3.498 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.206 5.760 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.122 5.149 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.675 6.823 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.215 6.326 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.208 7.407 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.683 8.185 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.300 7.064 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.604 4.962 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.712 4.582 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.377 3.992 -8.108 1.00 0.00 H new ATOM 283 N PRO A 18 -13.707 6.011 -3.260 1.00 0.00 N ATOM 284 CA PRO A 18 -13.577 6.645 -1.908 1.00 0.00 C ATOM 285 C PRO A 18 -12.381 6.127 -1.097 1.00 0.00 C ATOM 286 O PRO A 18 -11.606 6.896 -0.568 1.00 0.00 O ATOM 287 CB PRO A 18 -14.892 6.288 -1.197 1.00 0.00 C ATOM 288 CG PRO A 18 -15.456 5.134 -1.956 1.00 0.00 C ATOM 289 CD PRO A 18 -14.986 5.301 -3.397 1.00 0.00 C ATOM 0 HA PRO A 18 -13.401 7.716 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.715 6.023 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.581 7.133 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.109 4.188 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.545 5.126 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.860 4.338 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.701 5.872 -3.989 1.00 0.00 H new ATOM 297 N LYS A 19 -12.239 4.838 -0.972 1.00 0.00 N ATOM 298 CA LYS A 19 -11.107 4.283 -0.169 1.00 0.00 C ATOM 299 C LYS A 19 -9.818 5.072 -0.432 1.00 0.00 C ATOM 300 O LYS A 19 -9.192 5.573 0.480 1.00 0.00 O ATOM 301 CB LYS A 19 -10.889 2.813 -0.544 1.00 0.00 C ATOM 302 CG LYS A 19 -10.132 2.097 0.583 1.00 0.00 C ATOM 303 CD LYS A 19 -11.120 1.621 1.655 1.00 0.00 C ATOM 304 CE LYS A 19 -10.372 0.824 2.729 1.00 0.00 C ATOM 305 NZ LYS A 19 -8.982 1.344 2.861 1.00 0.00 N ATOM 0 H LYS A 19 -12.856 4.142 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.357 4.365 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.849 2.326 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.325 2.745 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.582 1.247 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.398 2.771 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.622 2.477 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.893 1.001 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.893 0.903 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.352 -0.233 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.549 0.962 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.422 1.051 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.003 2.382 2.914 1.00 0.00 H new ATOM 319 N GLN A 20 -9.411 5.176 -1.665 1.00 0.00 N ATOM 320 CA GLN A 20 -8.154 5.919 -1.977 1.00 0.00 C ATOM 321 C GLN A 20 -8.420 7.430 -2.005 1.00 0.00 C ATOM 322 O GLN A 20 -7.697 8.206 -1.418 1.00 0.00 O ATOM 323 CB GLN A 20 -7.626 5.476 -3.347 1.00 0.00 C ATOM 324 CG GLN A 20 -7.868 3.976 -3.544 1.00 0.00 C ATOM 325 CD GLN A 20 -7.105 3.186 -2.480 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.185 2.458 -2.793 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.453 3.298 -1.227 1.00 0.00 N ATOM 0 H GLN A 20 -9.893 4.780 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.416 5.701 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.123 6.039 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.561 5.694 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.934 3.758 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.542 3.673 -4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.226 3.910 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.952 2.774 -0.510 1.00 0.00 H new ATOM 336 N ILE A 21 -9.437 7.849 -2.700 1.00 0.00 N ATOM 337 CA ILE A 21 -9.736 9.309 -2.795 1.00 0.00 C ATOM 338 C ILE A 21 -9.765 9.960 -1.408 1.00 0.00 C ATOM 339 O ILE A 21 -9.356 11.082 -1.253 1.00 0.00 O ATOM 340 CB ILE A 21 -11.086 9.523 -3.497 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.928 9.307 -5.013 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.594 10.946 -3.236 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.896 10.285 -5.600 1.00 0.00 C ATOM 0 H ILE A 21 -10.079 7.243 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.943 9.779 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.805 8.806 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.615 8.281 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.890 9.446 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.551 11.088 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.720 11.096 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.872 11.666 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.801 10.114 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.224 11.309 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.930 10.126 -5.120 1.00 0.00 H new ATOM 355 N LYS A 22 -10.271 9.301 -0.408 1.00 0.00 N ATOM 356 CA LYS A 22 -10.333 9.949 0.938 1.00 0.00 C ATOM 357 C LYS A 22 -8.927 10.184 1.499 1.00 0.00 C ATOM 358 O LYS A 22 -8.387 11.279 1.421 1.00 0.00 O ATOM 359 CB LYS A 22 -11.121 9.051 1.897 1.00 0.00 C ATOM 360 CG LYS A 22 -12.624 9.174 1.608 1.00 0.00 C ATOM 361 CD LYS A 22 -13.212 10.359 2.386 1.00 0.00 C ATOM 362 CE LYS A 22 -13.589 9.916 3.804 1.00 0.00 C ATOM 363 NZ LYS A 22 -13.674 11.111 4.691 1.00 0.00 N ATOM 0 H LYS A 22 -10.642 8.352 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.829 10.914 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.803 8.015 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.915 9.336 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.787 9.313 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.134 8.253 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.487 11.172 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.092 10.744 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.544 9.391 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.846 9.217 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.930 10.811 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.753 11.594 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.398 11.763 4.327 1.00 0.00 H new ATOM 377 N GLU A 23 -8.330 9.173 2.070 1.00 0.00 N ATOM 378 CA GLU A 23 -6.963 9.338 2.645 1.00 0.00 C ATOM 379 C GLU A 23 -6.108 10.140 1.669 1.00 0.00 C ATOM 380 O GLU A 23 -5.317 10.979 2.054 1.00 0.00 O ATOM 381 CB GLU A 23 -6.335 7.962 2.869 1.00 0.00 C ATOM 382 CG GLU A 23 -7.342 7.053 3.576 1.00 0.00 C ATOM 383 CD GLU A 23 -6.645 5.766 4.022 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.024 5.131 3.184 1.00 0.00 O ATOM 385 OE2 GLU A 23 -6.745 5.437 5.192 1.00 0.00 O ATOM 0 H GLU A 23 -8.730 8.239 2.163 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.023 9.864 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.041 7.525 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.430 8.056 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.768 7.566 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.168 6.818 2.905 1.00 0.00 H new ATOM 392 N HIS A 24 -6.275 9.887 0.406 1.00 0.00 N ATOM 393 CA HIS A 24 -5.496 10.623 -0.622 1.00 0.00 C ATOM 394 C HIS A 24 -6.164 11.978 -0.861 1.00 0.00 C ATOM 395 O HIS A 24 -5.510 12.975 -1.069 1.00 0.00 O ATOM 396 CB HIS A 24 -5.459 9.801 -1.910 1.00 0.00 C ATOM 397 CG HIS A 24 -5.096 8.376 -1.573 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.596 7.729 -0.448 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.273 7.466 -2.189 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.073 6.490 -0.425 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.262 6.281 -1.461 1.00 0.00 N ATOM 0 H HIS A 24 -6.926 9.193 0.037 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.471 10.784 -0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.429 9.835 -2.406 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.731 10.221 -2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.719 7.643 -3.099 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.284 5.756 0.338 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.742 5.430 -1.675 1.00 0.00 H new ATOM 410 N GLY A 25 -7.471 12.007 -0.832 1.00 0.00 N ATOM 411 CA GLY A 25 -8.223 13.282 -1.049 1.00 0.00 C ATOM 412 C GLY A 25 -7.516 14.438 -0.348 1.00 0.00 C ATOM 413 O GLY A 25 -7.478 15.542 -0.854 1.00 0.00 O ATOM 0 H GLY A 25 -8.059 11.190 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.302 13.489 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.239 13.183 -0.667 1.00 0.00 H new ATOM 417 N LEU A 26 -6.964 14.202 0.815 1.00 0.00 N ATOM 418 CA LEU A 26 -6.267 15.307 1.544 1.00 0.00 C ATOM 419 C LEU A 26 -5.548 16.184 0.510 1.00 0.00 C ATOM 420 O LEU A 26 -5.566 17.397 0.582 1.00 0.00 O ATOM 421 CB LEU A 26 -5.266 14.692 2.540 1.00 0.00 C ATOM 422 CG LEU A 26 -4.027 15.583 2.703 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.438 16.990 3.168 1.00 0.00 C ATOM 424 CD2 LEU A 26 -3.094 14.951 3.741 1.00 0.00 C ATOM 0 H LEU A 26 -6.965 13.299 1.289 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.974 15.921 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.749 14.556 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.964 13.704 2.193 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.516 15.669 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.549 17.611 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.103 17.438 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.954 16.920 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.210 15.577 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.615 14.867 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.792 13.959 3.403 1.00 0.00 H new ATOM 436 N LYS A 27 -4.961 15.567 -0.478 1.00 0.00 N ATOM 437 CA LYS A 27 -4.280 16.326 -1.565 1.00 0.00 C ATOM 438 C LYS A 27 -5.060 16.071 -2.860 1.00 0.00 C ATOM 439 O LYS A 27 -4.760 15.161 -3.607 1.00 0.00 O ATOM 440 CB LYS A 27 -2.835 15.828 -1.717 1.00 0.00 C ATOM 441 CG LYS A 27 -1.893 16.722 -0.906 1.00 0.00 C ATOM 442 CD LYS A 27 -0.451 16.246 -1.090 1.00 0.00 C ATOM 443 CE LYS A 27 0.511 17.315 -0.568 1.00 0.00 C ATOM 444 NZ LYS A 27 1.888 16.750 -0.491 1.00 0.00 N ATOM 0 H LYS A 27 -4.924 14.553 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.253 17.391 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.758 14.796 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.546 15.837 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.989 17.758 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.165 16.692 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.295 15.309 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.254 16.048 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.499 18.183 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.191 17.658 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.542 17.477 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.893 15.935 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.191 16.444 -1.438 1.00 0.00 H new ATOM 458 N LYS A 28 -6.080 16.850 -3.108 1.00 0.00 N ATOM 459 CA LYS A 28 -6.915 16.649 -4.332 1.00 0.00 C ATOM 460 C LYS A 28 -6.038 16.312 -5.539 1.00 0.00 C ATOM 461 O LYS A 28 -4.831 16.449 -5.506 1.00 0.00 O ATOM 462 CB LYS A 28 -7.707 17.924 -4.625 1.00 0.00 C ATOM 463 CG LYS A 28 -8.705 17.665 -5.759 1.00 0.00 C ATOM 464 CD LYS A 28 -9.795 18.739 -5.739 1.00 0.00 C ATOM 465 CE LYS A 28 -10.795 18.474 -6.867 1.00 0.00 C ATOM 466 NZ LYS A 28 -12.045 19.246 -6.615 1.00 0.00 N ATOM 0 H LYS A 28 -6.374 17.623 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.597 15.818 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.236 18.248 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.027 18.730 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.190 17.673 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.152 16.677 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.307 18.735 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.349 19.727 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.363 18.763 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.019 17.409 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.725 19.066 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.459 18.950 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.824 20.262 -6.579 1.00 0.00 H new ATOM 480 N SER A 29 -6.648 15.870 -6.606 1.00 0.00 N ATOM 481 CA SER A 29 -5.870 15.519 -7.826 1.00 0.00 C ATOM 482 C SER A 29 -4.711 14.599 -7.447 1.00 0.00 C ATOM 483 O SER A 29 -3.556 14.929 -7.637 1.00 0.00 O ATOM 484 CB SER A 29 -5.325 16.796 -8.472 1.00 0.00 C ATOM 485 OG SER A 29 -4.870 17.680 -7.457 1.00 0.00 O ATOM 0 H SER A 29 -7.656 15.737 -6.684 1.00 0.00 H new ATOM 0 HA SER A 29 -6.520 15.006 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.508 16.553 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.102 17.276 -9.067 1.00 0.00 H new ATOM 0 HG SER A 29 -4.363 17.176 -6.787 1.00 0.00 H new ATOM 491 N ASN A 30 -5.006 13.444 -6.907 1.00 0.00 N ATOM 492 CA ASN A 30 -3.912 12.507 -6.516 1.00 0.00 C ATOM 493 C ASN A 30 -4.344 11.058 -6.748 1.00 0.00 C ATOM 494 O ASN A 30 -4.001 10.174 -5.988 1.00 0.00 O ATOM 495 CB ASN A 30 -3.574 12.707 -5.038 1.00 0.00 C ATOM 496 CG ASN A 30 -2.354 11.858 -4.675 1.00 0.00 C ATOM 497 OD1 ASN A 30 -2.446 10.952 -3.871 1.00 0.00 O ATOM 498 ND2 ASN A 30 -1.205 12.115 -5.240 1.00 0.00 N ATOM 0 H ASN A 30 -5.952 13.111 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.034 12.716 -7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.370 13.759 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.425 12.425 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.385 11.555 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.127 12.876 -5.915 1.00 0.00 H new ATOM 505 N LEU A 31 -5.084 10.796 -7.791 1.00 0.00 N ATOM 506 CA LEU A 31 -5.513 9.393 -8.051 1.00 0.00 C ATOM 507 C LEU A 31 -5.948 9.233 -9.511 1.00 0.00 C ATOM 508 O LEU A 31 -6.962 9.760 -9.927 1.00 0.00 O ATOM 509 CB LEU A 31 -6.680 9.034 -7.124 1.00 0.00 C ATOM 510 CG LEU A 31 -6.681 7.520 -6.859 1.00 0.00 C ATOM 511 CD1 LEU A 31 -5.852 7.215 -5.609 1.00 0.00 C ATOM 512 CD2 LEU A 31 -8.117 7.036 -6.643 1.00 0.00 C ATOM 0 H LEU A 31 -5.408 11.486 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.674 8.725 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.591 9.578 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.624 9.335 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.248 7.007 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.855 6.141 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.827 7.555 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.283 7.732 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.115 5.962 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.550 7.553 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.710 7.248 -7.533 1.00 0.00 H new ATOM 524 N GLN A 32 -5.197 8.498 -10.288 1.00 0.00 N ATOM 525 CA GLN A 32 -5.571 8.285 -11.718 1.00 0.00 C ATOM 526 C GLN A 32 -5.303 6.824 -12.080 1.00 0.00 C ATOM 527 O GLN A 32 -4.522 6.518 -12.956 1.00 0.00 O ATOM 528 CB GLN A 32 -4.738 9.210 -12.616 1.00 0.00 C ATOM 529 CG GLN A 32 -5.439 10.565 -12.764 1.00 0.00 C ATOM 530 CD GLN A 32 -5.434 11.297 -11.421 1.00 0.00 C ATOM 531 OE1 GLN A 32 -4.515 11.152 -10.640 1.00 0.00 O ATOM 532 NE2 GLN A 32 -6.430 12.083 -11.116 1.00 0.00 N ATOM 0 H GLN A 32 -4.338 8.034 -9.993 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.626 8.514 -11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.745 9.349 -12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.601 8.753 -13.596 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.933 11.167 -13.519 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.464 10.420 -13.106 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.202 12.205 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.436 12.575 -10.222 1.00 0.00 H new ATOM 541 N LEU A 33 -5.953 5.921 -11.401 1.00 0.00 N ATOM 542 CA LEU A 33 -5.745 4.472 -11.684 1.00 0.00 C ATOM 543 C LEU A 33 -6.895 3.942 -12.538 1.00 0.00 C ATOM 544 O LEU A 33 -7.852 4.637 -12.817 1.00 0.00 O ATOM 545 CB LEU A 33 -5.688 3.694 -10.362 1.00 0.00 C ATOM 546 CG LEU A 33 -6.695 4.274 -9.364 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.118 4.138 -9.917 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.586 3.511 -8.041 1.00 0.00 C ATOM 0 H LEU A 33 -6.622 6.124 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.807 4.343 -12.224 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.907 2.641 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.682 3.744 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.477 5.330 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.828 4.553 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.195 4.679 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.344 3.085 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.300 3.919 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.804 2.456 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.576 3.614 -7.644 1.00 0.00 H new ATOM 560 N ARG A 34 -6.803 2.710 -12.953 1.00 0.00 N ATOM 561 CA ARG A 34 -7.881 2.107 -13.789 1.00 0.00 C ATOM 562 C ARG A 34 -8.223 0.724 -13.232 1.00 0.00 C ATOM 563 O ARG A 34 -7.370 0.024 -12.724 1.00 0.00 O ATOM 564 CB ARG A 34 -7.397 1.968 -15.235 1.00 0.00 C ATOM 565 CG ARG A 34 -7.276 3.355 -15.882 1.00 0.00 C ATOM 566 CD ARG A 34 -6.008 4.069 -15.389 1.00 0.00 C ATOM 567 NE ARG A 34 -5.183 4.476 -16.561 1.00 0.00 N ATOM 568 CZ ARG A 34 -5.524 5.520 -17.266 1.00 0.00 C ATOM 569 NH1 ARG A 34 -6.590 6.203 -16.948 1.00 0.00 N ATOM 570 NH2 ARG A 34 -4.799 5.880 -18.289 1.00 0.00 N ATOM 0 H ARG A 34 -6.021 2.089 -12.748 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.764 2.746 -13.768 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.432 1.461 -15.257 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.094 1.352 -15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.246 3.255 -16.967 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.155 3.953 -15.641 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.277 4.944 -14.798 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.435 3.408 -14.738 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.353 3.939 -16.812 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.157 5.921 -16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.856 7.019 -17.499 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.966 5.346 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.065 6.696 -18.841 1.00 0.00 H new ATOM 584 N ASP A 35 -9.464 0.326 -13.318 1.00 0.00 N ATOM 585 CA ASP A 35 -9.855 -1.013 -12.788 1.00 0.00 C ATOM 586 C ASP A 35 -8.823 -2.055 -13.224 1.00 0.00 C ATOM 587 O ASP A 35 -8.443 -2.923 -12.464 1.00 0.00 O ATOM 588 CB ASP A 35 -11.230 -1.397 -13.338 1.00 0.00 C ATOM 589 CG ASP A 35 -11.223 -1.274 -14.863 1.00 0.00 C ATOM 590 OD1 ASP A 35 -10.588 -0.359 -15.361 1.00 0.00 O ATOM 591 OD2 ASP A 35 -11.852 -2.097 -15.507 1.00 0.00 O ATOM 0 H ASP A 35 -10.223 0.868 -13.731 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.896 -0.975 -11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.478 -2.417 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.997 -0.749 -12.914 1.00 0.00 H new ATOM 596 N GLN A 36 -8.365 -1.972 -14.444 1.00 0.00 N ATOM 597 CA GLN A 36 -7.357 -2.953 -14.932 1.00 0.00 C ATOM 598 C GLN A 36 -6.142 -2.947 -14.001 1.00 0.00 C ATOM 599 O GLN A 36 -5.569 -3.977 -13.703 1.00 0.00 O ATOM 600 CB GLN A 36 -6.917 -2.567 -16.346 1.00 0.00 C ATOM 601 CG GLN A 36 -5.870 -3.563 -16.848 1.00 0.00 C ATOM 602 CD GLN A 36 -5.637 -3.346 -18.345 1.00 0.00 C ATOM 603 OE1 GLN A 36 -4.558 -2.966 -18.754 1.00 0.00 O ATOM 604 NE2 GLN A 36 -6.610 -3.573 -19.185 1.00 0.00 N ATOM 0 H GLN A 36 -8.647 -1.266 -15.124 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.797 -3.950 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.777 -2.559 -17.016 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.504 -1.558 -16.346 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.936 -3.432 -16.301 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.206 -4.584 -16.665 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.516 -3.892 -18.842 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.464 -3.431 -20.185 1.00 0.00 H new ATOM 613 N ALA A 37 -5.741 -1.792 -13.543 1.00 0.00 N ATOM 614 CA ALA A 37 -4.561 -1.713 -12.637 1.00 0.00 C ATOM 615 C ALA A 37 -4.780 -2.612 -11.416 1.00 0.00 C ATOM 616 O ALA A 37 -4.252 -3.704 -11.338 1.00 0.00 O ATOM 617 CB ALA A 37 -4.373 -0.266 -12.175 1.00 0.00 C ATOM 0 H ALA A 37 -6.182 -0.898 -13.758 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.673 -2.047 -13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.510 -0.205 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.210 0.374 -13.042 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.264 0.064 -11.642 1.00 0.00 H new ATOM 623 N ILE A 38 -5.550 -2.159 -10.462 1.00 0.00 N ATOM 624 CA ILE A 38 -5.798 -2.984 -9.243 1.00 0.00 C ATOM 625 C ILE A 38 -6.084 -4.432 -9.650 1.00 0.00 C ATOM 626 O ILE A 38 -5.600 -5.364 -9.040 1.00 0.00 O ATOM 627 CB ILE A 38 -6.996 -2.407 -8.474 1.00 0.00 C ATOM 628 CG1 ILE A 38 -6.518 -1.264 -7.576 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.640 -3.494 -7.607 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.722 -0.458 -7.098 1.00 0.00 C ATOM 0 H ILE A 38 -6.018 -1.253 -10.474 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.916 -2.965 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.732 -2.037 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.971 -1.662 -6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.830 -0.620 -8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.488 -3.073 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.983 -4.310 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.907 -3.873 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.384 0.357 -6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.250 -0.048 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.394 -1.106 -6.535 1.00 0.00 H new ATOM 642 N LEU A 39 -6.864 -4.633 -10.675 1.00 0.00 N ATOM 643 CA LEU A 39 -7.164 -6.026 -11.106 1.00 0.00 C ATOM 644 C LEU A 39 -5.848 -6.781 -11.295 1.00 0.00 C ATOM 645 O LEU A 39 -5.564 -7.739 -10.604 1.00 0.00 O ATOM 646 CB LEU A 39 -7.943 -6.000 -12.429 1.00 0.00 C ATOM 647 CG LEU A 39 -9.454 -6.041 -12.150 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.212 -5.448 -13.340 1.00 0.00 C ATOM 649 CD2 LEU A 39 -9.901 -7.492 -11.940 1.00 0.00 C ATOM 0 H LEU A 39 -7.304 -3.899 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.768 -6.526 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.693 -5.100 -12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.656 -6.851 -13.047 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.668 -5.460 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.283 -5.478 -13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.900 -4.415 -13.492 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.994 -6.028 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.973 -7.518 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.683 -8.073 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.365 -7.919 -11.092 1.00 0.00 H new ATOM 661 N ASP A 40 -5.043 -6.351 -12.225 1.00 0.00 N ATOM 662 CA ASP A 40 -3.741 -7.036 -12.467 1.00 0.00 C ATOM 663 C ASP A 40 -3.033 -7.286 -11.132 1.00 0.00 C ATOM 664 O ASP A 40 -2.570 -8.375 -10.863 1.00 0.00 O ATOM 665 CB ASP A 40 -2.859 -6.154 -13.356 1.00 0.00 C ATOM 666 CG ASP A 40 -3.321 -6.272 -14.810 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.495 -6.048 -15.057 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.495 -6.583 -15.651 1.00 0.00 O ATOM 0 H ASP A 40 -5.230 -5.552 -12.831 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.921 -7.990 -12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.916 -5.116 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.816 -6.459 -13.269 1.00 0.00 H new ATOM 673 N ILE A 41 -2.940 -6.289 -10.295 1.00 0.00 N ATOM 674 CA ILE A 41 -2.256 -6.484 -8.981 1.00 0.00 C ATOM 675 C ILE A 41 -2.771 -7.768 -8.325 1.00 0.00 C ATOM 676 O ILE A 41 -2.083 -8.767 -8.269 1.00 0.00 O ATOM 677 CB ILE A 41 -2.546 -5.291 -8.065 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.084 -4.001 -8.752 1.00 0.00 C ATOM 679 CG2 ILE A 41 -1.789 -5.467 -6.745 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.374 -2.795 -7.851 1.00 0.00 C ATOM 0 H ILE A 41 -3.306 -5.351 -10.461 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.181 -6.561 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.616 -5.234 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.017 -4.056 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.597 -3.884 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.994 -4.619 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.115 -6.387 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.719 -5.521 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.043 -1.883 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.445 -2.735 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.841 -2.909 -6.907 1.00 0.00 H new ATOM 692 N ILE A 42 -3.976 -7.747 -7.826 1.00 0.00 N ATOM 693 CA ILE A 42 -4.536 -8.964 -7.170 1.00 0.00 C ATOM 694 C ILE A 42 -4.327 -10.180 -8.075 1.00 0.00 C ATOM 695 O ILE A 42 -3.795 -11.191 -7.659 1.00 0.00 O ATOM 696 CB ILE A 42 -6.033 -8.767 -6.925 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.272 -7.419 -6.235 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.559 -9.896 -6.038 1.00 0.00 C ATOM 699 CD1 ILE A 42 -5.383 -7.302 -4.994 1.00 0.00 C ATOM 0 H ILE A 42 -4.598 -6.939 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.027 -9.128 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.558 -8.780 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.056 -6.604 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.320 -7.327 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.626 -9.755 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.396 -10.853 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.031 -9.885 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.559 -6.341 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.620 -8.108 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.336 -7.373 -5.288 1.00 0.00 H new ATOM 711 N ARG A 43 -4.749 -10.093 -9.307 1.00 0.00 N ATOM 712 CA ARG A 43 -4.585 -11.246 -10.241 1.00 0.00 C ATOM 713 C ARG A 43 -3.168 -11.818 -10.114 1.00 0.00 C ATOM 714 O ARG A 43 -2.967 -13.015 -10.156 1.00 0.00 O ATOM 715 CB ARG A 43 -4.829 -10.772 -11.685 1.00 0.00 C ATOM 716 CG ARG A 43 -5.946 -11.601 -12.333 1.00 0.00 C ATOM 717 CD ARG A 43 -5.456 -13.030 -12.578 1.00 0.00 C ATOM 718 NE ARG A 43 -6.384 -13.716 -13.522 1.00 0.00 N ATOM 719 CZ ARG A 43 -7.579 -14.063 -13.126 1.00 0.00 C ATOM 720 NH1 ARG A 43 -7.963 -13.805 -11.906 1.00 0.00 N ATOM 721 NH2 ARG A 43 -8.390 -14.667 -13.951 1.00 0.00 N ATOM 0 H ARG A 43 -5.201 -9.272 -9.709 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.306 -12.024 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.101 -9.716 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.912 -10.866 -12.266 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.824 -11.614 -11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.250 -11.145 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.447 -13.015 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.408 -13.576 -11.636 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.086 -13.914 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.330 -13.332 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.896 -14.076 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.090 -14.868 -14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.323 -14.938 -13.642 1.00 0.00 H new ATOM 735 N TYR A 44 -2.183 -10.974 -9.963 1.00 0.00 N ATOM 736 CA TYR A 44 -0.788 -11.472 -9.838 1.00 0.00 C ATOM 737 C TYR A 44 -0.583 -12.036 -8.434 1.00 0.00 C ATOM 738 O TYR A 44 0.075 -13.039 -8.244 1.00 0.00 O ATOM 739 CB TYR A 44 0.189 -10.314 -10.075 1.00 0.00 C ATOM 740 CG TYR A 44 0.427 -10.137 -11.560 1.00 0.00 C ATOM 741 CD1 TYR A 44 -0.657 -10.088 -12.446 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.733 -10.021 -12.048 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.434 -9.924 -13.817 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.957 -9.857 -13.419 1.00 0.00 C ATOM 745 CZ TYR A 44 0.874 -9.808 -14.304 1.00 0.00 C ATOM 746 OH TYR A 44 1.094 -9.646 -15.658 1.00 0.00 O ATOM 0 H TYR A 44 -2.287 -9.960 -9.921 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.607 -12.253 -10.576 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.213 -9.394 -9.650 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.133 -10.513 -9.568 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.666 -10.177 -12.070 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.569 -10.058 -11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.270 -9.887 -14.500 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.966 -9.768 -13.795 1.00 0.00 H new ATOM 0 HH TYR A 44 2.057 -9.581 -15.827 1.00 0.00 H new ATOM 756 N TYR A 45 -1.137 -11.391 -7.445 1.00 0.00 N ATOM 757 CA TYR A 45 -0.972 -11.877 -6.047 1.00 0.00 C ATOM 758 C TYR A 45 -2.091 -12.854 -5.691 1.00 0.00 C ATOM 759 O TYR A 45 -1.870 -14.041 -5.560 1.00 0.00 O ATOM 760 CB TYR A 45 -1.017 -10.684 -5.094 1.00 0.00 C ATOM 761 CG TYR A 45 0.225 -9.858 -5.294 1.00 0.00 C ATOM 762 CD1 TYR A 45 1.450 -10.316 -4.801 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.156 -8.642 -5.984 1.00 0.00 C ATOM 764 CE1 TYR A 45 2.608 -9.557 -4.995 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.314 -7.884 -6.180 1.00 0.00 C ATOM 766 CZ TYR A 45 2.542 -8.342 -5.685 1.00 0.00 C ATOM 767 OH TYR A 45 3.687 -7.599 -5.876 1.00 0.00 O ATOM 0 H TYR A 45 -1.699 -10.546 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.015 -12.390 -5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.906 -10.082 -5.284 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.080 -11.028 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.502 -11.255 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.791 -8.290 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.554 -9.909 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.262 -6.946 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 45 4.191 -7.964 -6.633 1.00 0.00 H new ATOM 777 N THR A 46 -3.290 -12.368 -5.521 1.00 0.00 N ATOM 778 CA THR A 46 -4.409 -13.280 -5.158 1.00 0.00 C ATOM 779 C THR A 46 -3.969 -14.158 -3.984 1.00 0.00 C ATOM 780 O THR A 46 -4.605 -15.138 -3.651 1.00 0.00 O ATOM 781 CB THR A 46 -4.758 -14.159 -6.364 1.00 0.00 C ATOM 782 OG1 THR A 46 -4.526 -13.430 -7.561 1.00 0.00 O ATOM 783 CG2 THR A 46 -6.229 -14.566 -6.291 1.00 0.00 C ATOM 0 H THR A 46 -3.542 -11.384 -5.617 1.00 0.00 H new ATOM 0 HA THR A 46 -5.288 -12.701 -4.872 1.00 0.00 H new ATOM 0 HB THR A 46 -4.135 -15.053 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.762 -12.489 -7.422 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.477 -15.191 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.407 -15.124 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.854 -13.673 -6.300 1.00 0.00 H new ATOM 791 N ARG A 47 -2.874 -13.811 -3.361 1.00 0.00 N ATOM 792 CA ARG A 47 -2.370 -14.615 -2.212 1.00 0.00 C ATOM 793 C ARG A 47 -2.871 -14.004 -0.901 1.00 0.00 C ATOM 794 O ARG A 47 -2.127 -13.370 -0.179 1.00 0.00 O ATOM 795 CB ARG A 47 -0.839 -14.602 -2.226 1.00 0.00 C ATOM 796 CG ARG A 47 -0.328 -13.155 -2.325 1.00 0.00 C ATOM 797 CD ARG A 47 0.823 -12.944 -1.338 1.00 0.00 C ATOM 798 NE ARG A 47 0.349 -13.235 0.045 1.00 0.00 N ATOM 799 CZ ARG A 47 1.111 -12.960 1.068 1.00 0.00 C ATOM 800 NH1 ARG A 47 2.289 -12.432 0.881 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.694 -13.214 2.277 1.00 0.00 N ATOM 0 H ARG A 47 -2.304 -13.000 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.732 -15.640 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.455 -15.071 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.470 -15.186 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.009 -12.947 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.138 -12.458 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.659 -13.596 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.187 -11.919 -1.401 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.571 -13.649 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.615 -12.234 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.884 -12.217 1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.227 -13.627 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.289 -12.999 3.077 1.00 0.00 H new ATOM 815 N GLU A 48 -4.123 -14.190 -0.584 1.00 0.00 N ATOM 816 CA GLU A 48 -4.659 -13.616 0.683 1.00 0.00 C ATOM 817 C GLU A 48 -5.981 -14.298 1.040 1.00 0.00 C ATOM 818 O GLU A 48 -6.545 -15.035 0.255 1.00 0.00 O ATOM 819 CB GLU A 48 -4.893 -12.113 0.504 1.00 0.00 C ATOM 820 CG GLU A 48 -5.849 -11.872 -0.670 1.00 0.00 C ATOM 821 CD GLU A 48 -7.293 -12.099 -0.215 1.00 0.00 C ATOM 822 OE1 GLU A 48 -7.764 -11.326 0.601 1.00 0.00 O ATOM 823 OE2 GLU A 48 -7.900 -13.044 -0.691 1.00 0.00 O ATOM 0 H GLU A 48 -4.796 -14.712 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.940 -13.781 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.310 -11.689 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.945 -11.607 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.731 -10.855 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.607 -12.545 -1.493 1.00 0.00 H new ATOM 830 N ALA A 49 -6.479 -14.054 2.223 1.00 0.00 N ATOM 831 CA ALA A 49 -7.767 -14.679 2.643 1.00 0.00 C ATOM 832 C ALA A 49 -8.587 -13.655 3.432 1.00 0.00 C ATOM 833 O ALA A 49 -9.377 -14.004 4.288 1.00 0.00 O ATOM 834 CB ALA A 49 -7.481 -15.896 3.526 1.00 0.00 C ATOM 0 H ALA A 49 -6.047 -13.446 2.919 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.326 -14.997 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.422 -16.352 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.892 -16.622 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.925 -15.582 4.410 1.00 0.00 H new ATOM 840 N GLY A 50 -8.404 -12.394 3.151 1.00 0.00 N ATOM 841 CA GLY A 50 -9.168 -11.344 3.880 1.00 0.00 C ATOM 842 C GLY A 50 -9.252 -10.085 3.017 1.00 0.00 C ATOM 843 O GLY A 50 -8.273 -9.652 2.440 1.00 0.00 O ATOM 0 H GLY A 50 -7.756 -12.045 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.169 -11.705 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.681 -11.116 4.828 1.00 0.00 H new ATOM 847 N VAL A 51 -10.411 -9.496 2.919 1.00 0.00 N ATOM 848 CA VAL A 51 -10.552 -8.267 2.088 1.00 0.00 C ATOM 849 C VAL A 51 -9.935 -7.078 2.823 1.00 0.00 C ATOM 850 O VAL A 51 -9.232 -6.276 2.242 1.00 0.00 O ATOM 851 CB VAL A 51 -12.033 -7.989 1.828 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.667 -9.199 1.140 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.747 -7.728 3.159 1.00 0.00 C ATOM 0 H VAL A 51 -11.266 -9.812 3.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.038 -8.415 1.138 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.129 -7.113 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.723 -9.001 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.161 -9.385 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.570 -10.075 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.803 -7.530 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.650 -8.603 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.297 -6.865 3.650 1.00 0.00 H new ATOM 863 N ARG A 52 -10.192 -6.956 4.098 1.00 0.00 N ATOM 864 CA ARG A 52 -9.618 -5.817 4.868 1.00 0.00 C ATOM 865 C ARG A 52 -8.141 -5.648 4.503 1.00 0.00 C ATOM 866 O ARG A 52 -7.684 -4.559 4.210 1.00 0.00 O ATOM 867 CB ARG A 52 -9.754 -6.090 6.372 1.00 0.00 C ATOM 868 CG ARG A 52 -9.209 -7.490 6.714 1.00 0.00 C ATOM 869 CD ARG A 52 -7.887 -7.362 7.478 1.00 0.00 C ATOM 870 NE ARG A 52 -7.323 -8.718 7.728 1.00 0.00 N ATOM 871 CZ ARG A 52 -6.210 -8.849 8.398 1.00 0.00 C ATOM 872 NH1 ARG A 52 -5.592 -7.793 8.851 1.00 0.00 N ATOM 873 NH2 ARG A 52 -5.715 -10.037 8.615 1.00 0.00 N ATOM 0 H ARG A 52 -10.774 -7.596 4.638 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.158 -4.903 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.210 -5.333 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.800 -6.018 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.936 -8.036 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.057 -8.064 5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.180 -6.763 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.050 -6.845 8.423 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.806 -9.544 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.978 -6.864 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.723 -7.896 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.198 -10.863 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.846 -10.139 9.138 1.00 0.00 H new ATOM 887 N SER A 53 -7.392 -6.715 4.508 1.00 0.00 N ATOM 888 CA SER A 53 -5.952 -6.608 4.153 1.00 0.00 C ATOM 889 C SER A 53 -5.821 -6.291 2.667 1.00 0.00 C ATOM 890 O SER A 53 -5.040 -5.452 2.269 1.00 0.00 O ATOM 891 CB SER A 53 -5.249 -7.928 4.452 1.00 0.00 C ATOM 892 OG SER A 53 -5.646 -8.395 5.734 1.00 0.00 O ATOM 0 H SER A 53 -7.715 -7.654 4.742 1.00 0.00 H new ATOM 0 HA SER A 53 -5.493 -5.813 4.741 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.499 -8.667 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.168 -7.792 4.421 1.00 0.00 H new ATOM 0 HG SER A 53 -5.082 -9.153 5.995 1.00 0.00 H new ATOM 898 N LEU A 54 -6.586 -6.950 1.842 1.00 0.00 N ATOM 899 CA LEU A 54 -6.504 -6.673 0.382 1.00 0.00 C ATOM 900 C LEU A 54 -6.633 -5.167 0.166 1.00 0.00 C ATOM 901 O LEU A 54 -5.748 -4.524 -0.365 1.00 0.00 O ATOM 902 CB LEU A 54 -7.646 -7.399 -0.342 1.00 0.00 C ATOM 903 CG LEU A 54 -7.506 -7.218 -1.865 1.00 0.00 C ATOM 904 CD1 LEU A 54 -7.874 -8.524 -2.575 1.00 0.00 C ATOM 905 CD2 LEU A 54 -8.445 -6.106 -2.346 1.00 0.00 C ATOM 0 H LEU A 54 -7.261 -7.665 2.114 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.552 -7.026 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.630 -8.460 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.607 -7.007 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.475 -6.950 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.774 -8.393 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.207 -9.319 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.903 -8.791 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.341 -5.983 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.475 -6.372 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.187 -5.171 -1.848 1.00 0.00 H new ATOM 917 N GLU A 55 -7.726 -4.598 0.593 1.00 0.00 N ATOM 918 CA GLU A 55 -7.912 -3.133 0.433 1.00 0.00 C ATOM 919 C GLU A 55 -6.712 -2.407 1.043 1.00 0.00 C ATOM 920 O GLU A 55 -6.235 -1.425 0.511 1.00 0.00 O ATOM 921 CB GLU A 55 -9.192 -2.697 1.146 1.00 0.00 C ATOM 922 CG GLU A 55 -10.363 -3.561 0.671 1.00 0.00 C ATOM 923 CD GLU A 55 -11.630 -3.170 1.436 1.00 0.00 C ATOM 924 OE1 GLU A 55 -12.229 -2.169 1.077 1.00 0.00 O ATOM 925 OE2 GLU A 55 -11.980 -3.879 2.364 1.00 0.00 O ATOM 0 H GLU A 55 -8.498 -5.087 1.046 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.991 -2.887 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.070 -2.793 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.395 -1.646 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.516 -3.427 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.139 -4.616 0.832 1.00 0.00 H new ATOM 932 N ARG A 56 -6.216 -2.882 2.157 1.00 0.00 N ATOM 933 CA ARG A 56 -5.046 -2.208 2.788 1.00 0.00 C ATOM 934 C ARG A 56 -3.864 -2.239 1.818 1.00 0.00 C ATOM 935 O ARG A 56 -3.126 -1.281 1.692 1.00 0.00 O ATOM 936 CB ARG A 56 -4.672 -2.936 4.083 1.00 0.00 C ATOM 937 CG ARG A 56 -3.862 -1.999 4.984 1.00 0.00 C ATOM 938 CD ARG A 56 -3.517 -2.713 6.295 1.00 0.00 C ATOM 939 NE ARG A 56 -2.281 -3.522 6.108 1.00 0.00 N ATOM 940 CZ ARG A 56 -1.110 -2.950 6.176 1.00 0.00 C ATOM 941 NH1 ARG A 56 -1.024 -1.669 6.411 1.00 0.00 N ATOM 942 NH2 ARG A 56 -0.026 -3.658 6.010 1.00 0.00 N ATOM 0 H ARG A 56 -6.569 -3.701 2.652 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.299 -1.173 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.573 -3.265 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.091 -3.830 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.949 -1.690 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.433 -1.094 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.370 -1.983 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.343 -3.356 6.600 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.350 -4.523 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.871 -1.116 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.109 -1.221 6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.094 -4.659 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.889 -3.210 6.063 1.00 0.00 H new ATOM 956 N GLN A 57 -3.680 -3.330 1.128 1.00 0.00 N ATOM 957 CA GLN A 57 -2.549 -3.419 0.163 1.00 0.00 C ATOM 958 C GLN A 57 -2.743 -2.374 -0.935 1.00 0.00 C ATOM 959 O GLN A 57 -1.831 -1.654 -1.288 1.00 0.00 O ATOM 960 CB GLN A 57 -2.520 -4.817 -0.458 1.00 0.00 C ATOM 961 CG GLN A 57 -1.322 -4.933 -1.404 1.00 0.00 C ATOM 962 CD GLN A 57 -1.106 -6.401 -1.774 1.00 0.00 C ATOM 963 OE1 GLN A 57 -2.006 -7.055 -2.264 1.00 0.00 O ATOM 964 NE2 GLN A 57 0.057 -6.951 -1.560 1.00 0.00 N ATOM 0 H GLN A 57 -4.264 -4.164 1.191 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.607 -3.234 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.453 -5.572 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.446 -5.004 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.496 -4.342 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.428 -4.532 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.813 -6.403 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.211 -7.929 -1.804 1.00 0.00 H new ATOM 973 N LEU A 58 -3.929 -2.279 -1.473 1.00 0.00 N ATOM 974 CA LEU A 58 -4.179 -1.271 -2.543 1.00 0.00 C ATOM 975 C LEU A 58 -3.998 0.129 -1.959 1.00 0.00 C ATOM 976 O LEU A 58 -3.293 0.953 -2.502 1.00 0.00 O ATOM 977 CB LEU A 58 -5.604 -1.428 -3.074 1.00 0.00 C ATOM 978 CG LEU A 58 -5.882 -2.907 -3.335 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.294 -3.072 -3.903 1.00 0.00 C ATOM 980 CD2 LEU A 58 -4.859 -3.450 -4.337 1.00 0.00 C ATOM 0 H LEU A 58 -4.733 -2.853 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.476 -1.421 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.319 -1.033 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.728 -0.855 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.803 -3.461 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.490 -4.128 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.021 -2.688 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.377 -2.518 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.057 -4.506 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.936 -2.896 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.855 -3.336 -3.929 1.00 0.00 H new ATOM 992 N ALA A 59 -4.613 0.401 -0.844 1.00 0.00 N ATOM 993 CA ALA A 59 -4.451 1.741 -0.223 1.00 0.00 C ATOM 994 C ALA A 59 -2.958 2.005 -0.029 1.00 0.00 C ATOM 995 O ALA A 59 -2.478 3.109 -0.204 1.00 0.00 O ATOM 996 CB ALA A 59 -5.159 1.770 1.133 1.00 0.00 C ATOM 0 H ALA A 59 -5.219 -0.245 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.887 2.506 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.038 2.754 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.220 1.562 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.724 1.014 1.787 1.00 0.00 H new ATOM 1002 N ALA A 60 -2.226 0.988 0.338 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.762 1.154 0.558 1.00 0.00 C ATOM 1004 C ALA A 60 -0.078 1.604 -0.735 1.00 0.00 C ATOM 1005 O ALA A 60 0.586 2.616 -0.769 1.00 0.00 O ATOM 1006 CB ALA A 60 -0.164 -0.180 1.011 1.00 0.00 C ATOM 0 H ALA A 60 -2.582 0.045 0.495 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.602 1.912 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.907 -0.062 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.639 -0.495 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.334 -0.934 0.243 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.217 0.858 -1.798 1.00 0.00 N ATOM 1013 CA ILE A 61 0.450 1.257 -3.072 1.00 0.00 C ATOM 1014 C ILE A 61 -0.050 2.640 -3.510 1.00 0.00 C ATOM 1015 O ILE A 61 0.716 3.484 -3.935 1.00 0.00 O ATOM 1016 CB ILE A 61 0.154 0.207 -4.162 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.326 0.140 -5.142 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.117 0.570 -4.937 1.00 0.00 C ATOM 1019 CD1 ILE A 61 1.031 -0.906 -6.219 1.00 0.00 C ATOM 0 H ILE A 61 -0.760 -0.005 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 61 1.528 1.309 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 61 0.012 -0.758 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.486 1.115 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.243 -0.117 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.306 -0.185 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.963 0.611 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.988 1.542 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.866 -0.954 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.893 -1.881 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.124 -0.629 -6.756 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.330 2.874 -3.414 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.885 4.192 -3.833 1.00 0.00 C ATOM 1033 C CYS A 62 -1.148 5.329 -3.116 1.00 0.00 C ATOM 1034 O CYS A 62 -0.447 6.112 -3.731 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.372 4.248 -3.480 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.301 3.185 -4.614 1.00 0.00 S ATOM 0 H CYS A 62 -2.017 2.207 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.754 4.309 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.525 3.922 -2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.734 5.274 -3.547 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.292 2.633 -3.978 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.306 5.439 -1.826 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.619 6.541 -1.095 1.00 0.00 C ATOM 1044 C ARG A 63 0.895 6.395 -1.229 1.00 0.00 C ATOM 1045 O ARG A 63 1.592 7.358 -1.477 1.00 0.00 O ATOM 1046 CB ARG A 63 -1.013 6.511 0.380 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.669 5.142 0.993 1.00 0.00 C ATOM 1048 CD ARG A 63 0.651 5.229 1.768 1.00 0.00 C ATOM 1049 NE ARG A 63 0.397 5.793 3.123 1.00 0.00 N ATOM 1050 CZ ARG A 63 1.289 5.649 4.065 1.00 0.00 C ATOM 1051 NH1 ARG A 63 2.401 5.013 3.819 1.00 0.00 N ATOM 1052 NH2 ARG A 63 1.067 6.143 5.253 1.00 0.00 N ATOM 0 H ARG A 63 -1.876 4.819 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.923 7.494 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.491 7.301 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.080 6.706 0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.470 4.821 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.589 4.392 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.101 4.240 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.361 5.856 1.229 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.472 6.291 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.574 4.628 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.098 4.901 4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.197 6.641 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.763 6.031 5.990 1.00 0.00 H new ATOM 1066 N LYS A 64 1.417 5.205 -1.080 1.00 0.00 N ATOM 1067 CA LYS A 64 2.890 5.023 -1.221 1.00 0.00 C ATOM 1068 C LYS A 64 3.338 5.838 -2.428 1.00 0.00 C ATOM 1069 O LYS A 64 4.368 6.483 -2.419 1.00 0.00 O ATOM 1070 CB LYS A 64 3.213 3.540 -1.441 1.00 0.00 C ATOM 1071 CG LYS A 64 4.728 3.343 -1.590 1.00 0.00 C ATOM 1072 CD LYS A 64 5.415 3.517 -0.231 1.00 0.00 C ATOM 1073 CE LYS A 64 6.820 2.910 -0.287 1.00 0.00 C ATOM 1074 NZ LYS A 64 6.717 1.430 -0.429 1.00 0.00 N ATOM 0 H LYS A 64 0.890 4.358 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 64 3.407 5.355 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.843 2.952 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.702 3.178 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.937 2.350 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.128 4.063 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.474 4.575 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.829 3.032 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.375 3.329 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.373 3.162 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.548 0.981 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.854 1.095 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.678 1.180 -1.438 1.00 0.00 H new ATOM 1088 N ALA A 65 2.543 5.830 -3.459 1.00 0.00 N ATOM 1089 CA ALA A 65 2.881 6.620 -4.668 1.00 0.00 C ATOM 1090 C ALA A 65 2.622 8.098 -4.372 1.00 0.00 C ATOM 1091 O ALA A 65 3.372 8.961 -4.782 1.00 0.00 O ATOM 1092 CB ALA A 65 2.008 6.170 -5.839 1.00 0.00 C ATOM 0 H ALA A 65 1.669 5.307 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 65 3.928 6.469 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.259 6.753 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.183 5.113 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.958 6.323 -5.590 1.00 0.00 H new ATOM 1098 N ALA A 66 1.563 8.401 -3.659 1.00 0.00 N ATOM 1099 CA ALA A 66 1.273 9.829 -3.341 1.00 0.00 C ATOM 1100 C ALA A 66 2.532 10.486 -2.773 1.00 0.00 C ATOM 1101 O ALA A 66 2.843 11.622 -3.074 1.00 0.00 O ATOM 1102 CB ALA A 66 0.146 9.909 -2.310 1.00 0.00 C ATOM 0 H ALA A 66 0.895 7.726 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 66 0.967 10.348 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.063 10.954 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.751 9.440 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.448 9.391 -1.400 1.00 0.00 H new ATOM 1108 N LYS A 67 3.261 9.780 -1.954 1.00 0.00 N ATOM 1109 CA LYS A 67 4.500 10.362 -1.365 1.00 0.00 C ATOM 1110 C LYS A 67 5.546 10.557 -2.463 1.00 0.00 C ATOM 1111 O LYS A 67 6.255 11.543 -2.492 1.00 0.00 O ATOM 1112 CB LYS A 67 5.051 9.415 -0.298 1.00 0.00 C ATOM 1113 CG LYS A 67 3.905 8.921 0.590 1.00 0.00 C ATOM 1114 CD LYS A 67 4.474 8.201 1.821 1.00 0.00 C ATOM 1115 CE LYS A 67 4.736 9.214 2.939 1.00 0.00 C ATOM 1116 NZ LYS A 67 5.357 8.519 4.102 1.00 0.00 N ATOM 0 H LYS A 67 3.052 8.824 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 67 4.267 11.325 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.549 8.569 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.799 9.928 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.287 9.762 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.262 8.245 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.774 7.440 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.399 7.688 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.394 10.005 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.802 9.688 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.535 9.206 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.714 7.779 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.256 8.086 3.808 1.00 0.00 H new ATOM 1130 N ALA A 68 5.649 9.624 -3.366 1.00 0.00 N ATOM 1131 CA ALA A 68 6.651 9.750 -4.461 1.00 0.00 C ATOM 1132 C ALA A 68 6.458 11.087 -5.182 1.00 0.00 C ATOM 1133 O ALA A 68 7.249 11.469 -6.023 1.00 0.00 O ATOM 1134 CB ALA A 68 6.469 8.603 -5.457 1.00 0.00 C ATOM 0 H ALA A 68 5.081 8.777 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 68 7.655 9.707 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.203 8.696 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.610 7.651 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.465 8.643 -5.879 1.00 0.00 H new ATOM 1140 N ILE A 69 5.416 11.803 -4.860 1.00 0.00 N ATOM 1141 CA ILE A 69 5.179 13.115 -5.529 1.00 0.00 C ATOM 1142 C ILE A 69 6.464 13.946 -5.485 1.00 0.00 C ATOM 1143 O ILE A 69 6.596 14.939 -6.173 1.00 0.00 O ATOM 1144 CB ILE A 69 4.054 13.862 -4.803 1.00 0.00 C ATOM 1145 CG1 ILE A 69 2.697 13.241 -5.177 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.074 15.344 -5.196 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.156 13.882 -6.459 1.00 0.00 C ATOM 0 H ILE A 69 4.719 11.538 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 69 4.890 12.951 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 69 4.204 13.778 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.808 12.166 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.987 13.384 -4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.272 15.869 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.033 15.781 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.931 15.437 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.195 13.434 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.027 14.953 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.860 13.716 -7.274 1.00 0.00 H new ATOM 1159 N VAL A 70 7.413 13.547 -4.682 1.00 0.00 N ATOM 1160 CA VAL A 70 8.687 14.316 -4.596 1.00 0.00 C ATOM 1161 C VAL A 70 9.380 14.311 -5.960 1.00 0.00 C ATOM 1162 O VAL A 70 10.155 15.193 -6.278 1.00 0.00 O ATOM 1163 CB VAL A 70 9.603 13.670 -3.557 1.00 0.00 C ATOM 1164 CG1 VAL A 70 9.895 12.223 -3.961 1.00 0.00 C ATOM 1165 CG2 VAL A 70 10.916 14.453 -3.480 1.00 0.00 C ATOM 0 H VAL A 70 7.361 12.723 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 70 8.471 15.343 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 70 9.113 13.682 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.548 11.763 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.960 11.665 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.385 12.209 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.571 13.994 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.405 14.440 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.709 15.484 -3.192 1.00 0.00 H new ATOM 1175 N ALA A 71 9.110 13.326 -6.773 1.00 0.00 N ATOM 1176 CA ALA A 71 9.754 13.268 -8.115 1.00 0.00 C ATOM 1177 C ALA A 71 9.352 14.501 -8.927 1.00 0.00 C ATOM 1178 O ALA A 71 8.951 15.511 -8.381 1.00 0.00 O ATOM 1179 CB ALA A 71 9.298 12.006 -8.848 1.00 0.00 C ATOM 0 H ALA A 71 8.471 12.559 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 71 10.837 13.247 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.770 11.965 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.584 11.127 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.215 12.026 -8.967 1.00 0.00 H new ATOM 1185 N GLU A 72 9.455 14.429 -10.225 1.00 0.00 N ATOM 1186 CA GLU A 72 9.078 15.598 -11.069 1.00 0.00 C ATOM 1187 C GLU A 72 7.665 16.055 -10.704 1.00 0.00 C ATOM 1188 O GLU A 72 6.723 15.289 -10.750 1.00 0.00 O ATOM 1189 CB GLU A 72 9.121 15.196 -12.544 1.00 0.00 C ATOM 1190 CG GLU A 72 10.504 14.638 -12.882 1.00 0.00 C ATOM 1191 CD GLU A 72 11.544 15.754 -12.783 1.00 0.00 C ATOM 1192 OE1 GLU A 72 11.518 16.638 -13.624 1.00 0.00 O ATOM 1193 OE2 GLU A 72 12.350 15.707 -11.868 1.00 0.00 O ATOM 0 H GLU A 72 9.784 13.611 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 72 9.779 16.414 -10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.355 14.448 -12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.902 16.059 -13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.758 13.828 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.502 14.217 -13.887 1.00 0.00 H new ATOM 1200 N GLU A 73 7.509 17.299 -10.345 1.00 0.00 N ATOM 1201 CA GLU A 73 6.157 17.805 -9.979 1.00 0.00 C ATOM 1202 C GLU A 73 5.175 17.508 -11.115 1.00 0.00 C ATOM 1203 O GLU A 73 5.325 17.991 -12.219 1.00 0.00 O ATOM 1204 CB GLU A 73 6.225 19.316 -9.743 1.00 0.00 C ATOM 1205 CG GLU A 73 6.981 19.596 -8.443 1.00 0.00 C ATOM 1206 CD GLU A 73 7.122 21.107 -8.249 1.00 0.00 C ATOM 1207 OE1 GLU A 73 7.960 21.694 -8.913 1.00 0.00 O ATOM 1208 OE2 GLU A 73 6.390 21.651 -7.438 1.00 0.00 O ATOM 0 H GLU A 73 8.260 17.987 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 73 5.818 17.310 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.726 19.803 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.219 19.732 -9.688 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.448 19.159 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.966 19.129 -8.475 1.00 0.00 H new ATOM 1215 N ARG A 74 4.170 16.718 -10.852 1.00 0.00 N ATOM 1216 CA ARG A 74 3.177 16.390 -11.916 1.00 0.00 C ATOM 1217 C ARG A 74 1.816 16.113 -11.274 1.00 0.00 C ATOM 1218 O ARG A 74 0.791 16.168 -11.924 1.00 0.00 O ATOM 1219 CB ARG A 74 3.641 15.152 -12.686 1.00 0.00 C ATOM 1220 CG ARG A 74 2.587 14.777 -13.728 1.00 0.00 C ATOM 1221 CD ARG A 74 3.166 13.740 -14.692 1.00 0.00 C ATOM 1222 NE ARG A 74 2.067 13.165 -15.517 1.00 0.00 N ATOM 1223 CZ ARG A 74 2.252 12.049 -16.169 1.00 0.00 C ATOM 1224 NH1 ARG A 74 3.401 11.435 -16.099 1.00 0.00 N ATOM 1225 NH2 ARG A 74 1.287 11.548 -16.892 1.00 0.00 N ATOM 0 H ARG A 74 3.993 16.285 -9.946 1.00 0.00 H new ATOM 0 HA ARG A 74 3.090 17.231 -12.604 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.596 15.350 -13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.800 14.321 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.701 14.376 -13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.273 15.664 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.915 14.203 -15.335 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.669 12.950 -14.135 1.00 0.00 H new ATOM 0 HE ARG A 74 1.168 13.644 -15.573 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.155 11.827 -15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.545 10.563 -16.608 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.389 12.028 -16.947 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.431 10.676 -17.401 1.00 0.00 H new ATOM 1239 N LYS A 75 1.798 15.816 -10.003 1.00 0.00 N ATOM 1240 CA LYS A 75 0.505 15.537 -9.316 1.00 0.00 C ATOM 1241 C LYS A 75 -0.266 14.462 -10.086 1.00 0.00 C ATOM 1242 O LYS A 75 0.144 14.025 -11.142 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.329 16.819 -9.256 1.00 0.00 C ATOM 1244 CG LYS A 75 0.350 17.831 -8.327 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.139 19.243 -8.656 1.00 0.00 C ATOM 1246 CE LYS A 75 -1.669 19.271 -8.655 1.00 0.00 C ATOM 1247 NZ LYS A 75 -2.140 20.684 -8.620 1.00 0.00 N ATOM 0 H LYS A 75 2.625 15.754 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 75 0.703 15.184 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.436 17.242 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.333 16.595 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.127 17.592 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.433 17.775 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.248 19.952 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.240 19.552 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.053 18.770 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.053 18.727 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.180 20.703 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.784 21.147 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.785 21.189 -9.457 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.383 14.034 -9.561 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.183 12.989 -10.261 1.00 0.00 C ATOM 1263 C ARG A 76 -1.314 11.752 -10.500 1.00 0.00 C ATOM 1264 O ARG A 76 -0.530 11.703 -11.428 1.00 0.00 O ATOM 1265 CB ARG A 76 -2.677 13.535 -11.603 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.257 14.937 -11.402 1.00 0.00 C ATOM 1267 CD ARG A 76 -3.738 15.488 -12.747 1.00 0.00 C ATOM 1268 NE ARG A 76 -3.919 16.964 -12.641 1.00 0.00 N ATOM 1269 CZ ARG A 76 -5.003 17.452 -12.103 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -5.933 16.647 -11.665 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -5.159 18.743 -12.004 1.00 0.00 N ATOM 0 H ARG A 76 -1.775 14.363 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.039 12.716 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.855 13.569 -12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.435 12.873 -12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.085 14.901 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.502 15.597 -10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.014 15.254 -13.528 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.678 15.015 -13.031 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.195 17.593 -12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.812 15.637 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.781 17.028 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.433 19.372 -12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.007 19.123 -11.583 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.449 10.750 -9.674 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.632 9.515 -9.856 1.00 0.00 C ATOM 1287 C ILE A 77 -1.344 8.578 -10.832 1.00 0.00 C ATOM 1288 O ILE A 77 -2.367 8.000 -10.520 1.00 0.00 O ATOM 1289 CB ILE A 77 -0.465 8.805 -8.508 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.042 9.803 -7.457 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.534 7.651 -8.647 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.288 10.527 -7.978 1.00 0.00 C ATOM 0 H ILE A 77 -2.090 10.733 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 77 0.348 9.784 -10.250 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.429 8.407 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.739 10.527 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.277 9.280 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.648 7.151 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.166 6.938 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.499 8.042 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.640 11.233 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.071 9.798 -8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.040 11.066 -8.893 1.00 0.00 H new ATOM 1304 N THR A 78 -0.811 8.417 -12.012 1.00 0.00 N ATOM 1305 CA THR A 78 -1.457 7.509 -13.002 1.00 0.00 C ATOM 1306 C THR A 78 -0.951 6.084 -12.779 1.00 0.00 C ATOM 1307 O THR A 78 0.237 5.849 -12.676 1.00 0.00 O ATOM 1308 CB THR A 78 -1.104 7.962 -14.420 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.203 9.376 -14.504 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.071 7.321 -15.419 1.00 0.00 C ATOM 0 H THR A 78 0.042 8.874 -12.333 1.00 0.00 H new ATOM 0 HA THR A 78 -2.539 7.538 -12.875 1.00 0.00 H new ATOM 0 HB THR A 78 -0.085 7.655 -14.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.975 9.667 -15.412 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.818 7.645 -16.429 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.993 6.236 -15.356 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.091 7.626 -15.185 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.841 5.130 -12.700 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.408 3.716 -12.478 1.00 0.00 C ATOM 1320 C VAL A 79 -1.969 2.822 -13.586 1.00 0.00 C ATOM 1321 O VAL A 79 -3.166 2.704 -13.756 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.926 3.231 -11.122 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.116 2.014 -10.669 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.777 4.351 -10.091 1.00 0.00 C ATOM 0 H VAL A 79 -2.849 5.267 -12.779 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.319 3.667 -12.493 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.976 2.955 -11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.486 1.670 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.219 1.215 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.065 2.290 -10.578 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.146 4.007 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.726 4.626 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.353 5.219 -10.411 1.00 0.00 H new ATOM 1334 N THR A 80 -1.109 2.183 -14.334 1.00 0.00 N ATOM 1335 CA THR A 80 -1.579 1.284 -15.429 1.00 0.00 C ATOM 1336 C THR A 80 -1.395 -0.170 -14.991 1.00 0.00 C ATOM 1337 O THR A 80 -1.927 -0.596 -13.984 1.00 0.00 O ATOM 1338 CB THR A 80 -0.751 1.546 -16.690 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.600 1.178 -16.451 1.00 0.00 O ATOM 1340 CG2 THR A 80 -0.823 3.030 -17.051 1.00 0.00 C ATOM 0 H THR A 80 -0.096 2.245 -14.233 1.00 0.00 H new ATOM 0 HA THR A 80 -2.631 1.475 -15.641 1.00 0.00 H new ATOM 0 HB THR A 80 -1.148 0.956 -17.516 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.060 1.906 -15.983 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.233 3.215 -17.949 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.860 3.310 -17.234 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.427 3.624 -16.228 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.640 -0.935 -15.737 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.409 -2.362 -15.365 1.00 0.00 C ATOM 1350 C GLU A 81 1.076 -2.567 -15.062 1.00 0.00 C ATOM 1351 O GLU A 81 1.480 -3.595 -14.557 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.829 -3.272 -16.524 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.072 -2.878 -17.798 1.00 0.00 C ATOM 1354 CD GLU A 81 1.345 -3.456 -17.760 1.00 0.00 C ATOM 1355 OE1 GLU A 81 1.593 -4.322 -16.936 1.00 0.00 O ATOM 1356 OE2 GLU A 81 2.160 -3.024 -18.559 1.00 0.00 O ATOM 0 H GLU A 81 -0.172 -0.631 -16.591 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.001 -2.611 -14.484 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.621 -4.313 -16.274 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.903 -3.192 -16.690 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.602 -3.248 -18.676 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.029 -1.792 -17.885 1.00 0.00 H new ATOM 1363 N LYS A 82 1.891 -1.590 -15.365 1.00 0.00 N ATOM 1364 CA LYS A 82 3.353 -1.714 -15.094 1.00 0.00 C ATOM 1365 C LYS A 82 3.739 -0.758 -13.965 1.00 0.00 C ATOM 1366 O LYS A 82 4.722 -0.954 -13.280 1.00 0.00 O ATOM 1367 CB LYS A 82 4.140 -1.354 -16.357 1.00 0.00 C ATOM 1368 CG LYS A 82 3.663 -0.001 -16.888 1.00 0.00 C ATOM 1369 CD LYS A 82 4.604 0.473 -17.998 1.00 0.00 C ATOM 1370 CE LYS A 82 4.189 1.872 -18.458 1.00 0.00 C ATOM 1371 NZ LYS A 82 4.463 2.854 -17.371 1.00 0.00 N ATOM 0 H LYS A 82 1.605 -0.708 -15.790 1.00 0.00 H new ATOM 0 HA LYS A 82 3.585 -2.739 -14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.206 -1.314 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.002 -2.124 -17.116 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.646 -0.087 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.639 0.730 -16.080 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.632 0.488 -17.636 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.572 -0.222 -18.837 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.737 2.148 -19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.130 1.883 -18.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.459 3.817 -17.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.728 2.776 -16.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.393 2.656 -16.950 1.00 0.00 H new ATOM 1385 N ASN A 83 2.969 0.277 -13.768 1.00 0.00 N ATOM 1386 CA ASN A 83 3.287 1.246 -12.684 1.00 0.00 C ATOM 1387 C ASN A 83 3.146 0.554 -11.327 1.00 0.00 C ATOM 1388 O ASN A 83 3.940 0.756 -10.429 1.00 0.00 O ATOM 1389 CB ASN A 83 2.318 2.428 -12.758 1.00 0.00 C ATOM 1390 CG ASN A 83 2.724 3.352 -13.907 1.00 0.00 C ATOM 1391 OD1 ASN A 83 2.755 2.942 -15.051 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.039 4.592 -13.652 1.00 0.00 N ATOM 0 H ASN A 83 2.133 0.493 -14.312 1.00 0.00 H new ATOM 0 HA ASN A 83 4.309 1.606 -12.804 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.300 2.068 -12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.325 2.977 -11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.311 5.216 -14.412 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.014 4.938 -12.693 1.00 0.00 H new ATOM 1399 N LEU A 84 2.146 -0.268 -11.172 1.00 0.00 N ATOM 1400 CA LEU A 84 1.966 -0.973 -9.874 1.00 0.00 C ATOM 1401 C LEU A 84 3.265 -1.690 -9.514 1.00 0.00 C ATOM 1402 O LEU A 84 3.673 -1.722 -8.372 1.00 0.00 O ATOM 1403 CB LEU A 84 0.828 -1.995 -9.991 1.00 0.00 C ATOM 1404 CG LEU A 84 1.098 -2.955 -11.164 1.00 0.00 C ATOM 1405 CD1 LEU A 84 1.668 -4.276 -10.636 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.211 -3.240 -11.910 1.00 0.00 C ATOM 0 H LEU A 84 1.449 -0.481 -11.885 1.00 0.00 H new ATOM 0 HA LEU A 84 1.715 -0.251 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.738 -2.559 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.120 -1.479 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 84 1.816 -2.492 -11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.857 -4.951 -11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.601 -4.084 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.952 -4.734 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.016 -3.920 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.927 -3.697 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.621 -2.306 -12.295 1.00 0.00 H new ATOM 1418 N GLN A 85 3.919 -2.265 -10.484 1.00 0.00 N ATOM 1419 CA GLN A 85 5.194 -2.980 -10.204 1.00 0.00 C ATOM 1420 C GLN A 85 6.236 -1.990 -9.676 1.00 0.00 C ATOM 1421 O GLN A 85 6.999 -2.296 -8.781 1.00 0.00 O ATOM 1422 CB GLN A 85 5.709 -3.624 -11.494 1.00 0.00 C ATOM 1423 CG GLN A 85 6.882 -4.551 -11.171 1.00 0.00 C ATOM 1424 CD GLN A 85 6.371 -5.774 -10.406 1.00 0.00 C ATOM 1425 OE1 GLN A 85 5.478 -6.460 -10.862 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.903 -6.077 -9.254 1.00 0.00 N ATOM 0 H GLN A 85 3.625 -2.270 -11.461 1.00 0.00 H new ATOM 0 HA GLN A 85 5.019 -3.752 -9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.910 -4.187 -11.976 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.024 -2.853 -12.197 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.376 -4.864 -12.091 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.625 -4.021 -10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.653 -5.501 -8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.569 -6.890 -8.736 1.00 0.00 H new ATOM 1435 N ASP A 86 6.283 -0.807 -10.228 1.00 0.00 N ATOM 1436 CA ASP A 86 7.284 0.195 -9.760 1.00 0.00 C ATOM 1437 C ASP A 86 6.994 0.582 -8.307 1.00 0.00 C ATOM 1438 O ASP A 86 7.895 0.754 -7.510 1.00 0.00 O ATOM 1439 CB ASP A 86 7.231 1.440 -10.660 1.00 0.00 C ATOM 1440 CG ASP A 86 6.148 2.408 -10.172 1.00 0.00 C ATOM 1441 OD1 ASP A 86 6.284 2.914 -9.069 1.00 0.00 O ATOM 1442 OD2 ASP A 86 5.207 2.636 -10.912 1.00 0.00 O ATOM 0 H ASP A 86 5.672 -0.492 -10.982 1.00 0.00 H new ATOM 0 HA ASP A 86 8.282 -0.241 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.200 1.939 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.026 1.144 -11.689 1.00 0.00 H new ATOM 1447 N PHE A 87 5.745 0.727 -7.955 1.00 0.00 N ATOM 1448 CA PHE A 87 5.410 1.110 -6.553 1.00 0.00 C ATOM 1449 C PHE A 87 5.582 -0.102 -5.638 1.00 0.00 C ATOM 1450 O PHE A 87 6.121 -0.003 -4.553 1.00 0.00 O ATOM 1451 CB PHE A 87 3.958 1.586 -6.484 1.00 0.00 C ATOM 1452 CG PHE A 87 3.812 2.903 -7.213 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.484 4.040 -6.747 1.00 0.00 C ATOM 1454 CD2 PHE A 87 3.002 2.988 -8.353 1.00 0.00 C ATOM 1455 CE1 PHE A 87 4.346 5.259 -7.421 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.865 4.207 -9.025 1.00 0.00 C ATOM 1457 CZ PHE A 87 3.537 5.342 -8.561 1.00 0.00 C ATOM 0 H PHE A 87 4.945 0.598 -8.574 1.00 0.00 H new ATOM 0 HA PHE A 87 6.075 1.912 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.300 0.839 -6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.653 1.701 -5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.108 3.976 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.483 2.112 -8.713 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.864 6.136 -7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.240 4.272 -9.903 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.432 6.282 -9.082 1.00 0.00 H new ATOM 1467 N ILE A 88 5.118 -1.244 -6.062 1.00 0.00 N ATOM 1468 CA ILE A 88 5.243 -2.461 -5.214 1.00 0.00 C ATOM 1469 C ILE A 88 6.662 -3.031 -5.343 1.00 0.00 C ATOM 1470 O ILE A 88 7.332 -3.273 -4.359 1.00 0.00 O ATOM 1471 CB ILE A 88 4.176 -3.487 -5.657 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.282 -3.835 -4.463 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.821 -4.768 -6.198 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.127 -4.726 -4.926 1.00 0.00 C ATOM 0 H ILE A 88 4.657 -1.387 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 88 5.076 -2.218 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 88 3.585 -3.040 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.865 -4.347 -3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.892 -2.923 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.042 -5.468 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.445 -4.526 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.435 -5.222 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.493 -4.972 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.538 -4.198 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.526 -5.644 -5.358 1.00 0.00 H new ATOM 1486 N GLY A 89 7.129 -3.240 -6.543 1.00 0.00 N ATOM 1487 CA GLY A 89 8.505 -3.786 -6.726 1.00 0.00 C ATOM 1488 C GLY A 89 8.568 -5.234 -6.226 1.00 0.00 C ATOM 1489 O GLY A 89 9.528 -5.641 -5.602 1.00 0.00 O ATOM 0 H GLY A 89 6.617 -3.056 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.784 -3.744 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.223 -3.173 -6.181 1.00 0.00 H new ATOM 1493 N LYS A 90 7.558 -6.018 -6.498 1.00 0.00 N ATOM 1494 CA LYS A 90 7.570 -7.441 -6.041 1.00 0.00 C ATOM 1495 C LYS A 90 6.808 -8.307 -7.048 1.00 0.00 C ATOM 1496 O LYS A 90 6.007 -7.819 -7.819 1.00 0.00 O ATOM 1497 CB LYS A 90 6.899 -7.556 -4.670 1.00 0.00 C ATOM 1498 CG LYS A 90 7.521 -6.548 -3.701 1.00 0.00 C ATOM 1499 CD LYS A 90 6.979 -6.797 -2.292 1.00 0.00 C ATOM 1500 CE LYS A 90 7.744 -5.932 -1.288 1.00 0.00 C ATOM 1501 NZ LYS A 90 7.165 -6.122 0.072 1.00 0.00 N ATOM 0 H LYS A 90 6.726 -5.736 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 90 8.603 -7.782 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.829 -7.372 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.016 -8.568 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.607 -6.643 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.289 -5.531 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.915 -6.562 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.082 -7.851 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.800 -6.204 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.686 -4.883 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.684 -5.535 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.163 -5.842 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.243 -7.122 0.346 1.00 0.00 H new ATOM 1515 N ARG A 91 7.051 -9.589 -7.044 1.00 0.00 N ATOM 1516 CA ARG A 91 6.342 -10.491 -7.997 1.00 0.00 C ATOM 1517 C ARG A 91 6.479 -11.939 -7.514 1.00 0.00 C ATOM 1518 O ARG A 91 7.571 -12.448 -7.358 1.00 0.00 O ATOM 1519 CB ARG A 91 6.965 -10.347 -9.396 1.00 0.00 C ATOM 1520 CG ARG A 91 5.980 -9.649 -10.340 1.00 0.00 C ATOM 1521 CD ARG A 91 6.563 -9.619 -11.755 1.00 0.00 C ATOM 1522 NE ARG A 91 7.950 -9.079 -11.711 1.00 0.00 N ATOM 1523 CZ ARG A 91 8.562 -8.759 -12.819 1.00 0.00 C ATOM 1524 NH1 ARG A 91 7.960 -8.916 -13.966 1.00 0.00 N ATOM 1525 NH2 ARG A 91 9.776 -8.283 -12.780 1.00 0.00 N ATOM 0 H ARG A 91 7.712 -10.052 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 91 5.287 -10.223 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.890 -9.774 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.225 -11.329 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.025 -10.175 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.785 -8.634 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.566 -10.623 -12.180 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.941 -9.001 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 91 8.422 -8.959 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.011 -9.289 -13.997 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.438 -8.666 -14.831 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.247 -8.161 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.254 -8.033 -13.646 1.00 0.00 H new ATOM 1539 N ILE A 92 5.378 -12.606 -7.277 1.00 0.00 N ATOM 1540 CA ILE A 92 5.442 -14.022 -6.803 1.00 0.00 C ATOM 1541 C ILE A 92 4.912 -14.952 -7.895 1.00 0.00 C ATOM 1542 O ILE A 92 5.482 -15.990 -8.170 1.00 0.00 O ATOM 1543 CB ILE A 92 4.588 -14.177 -5.544 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.189 -13.340 -4.414 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.557 -15.648 -5.123 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.173 -13.218 -3.276 1.00 0.00 C ATOM 0 H ILE A 92 4.436 -12.231 -7.391 1.00 0.00 H new ATOM 0 HA ILE A 92 6.476 -14.281 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 92 3.574 -13.837 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.105 -13.805 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.459 -12.351 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.948 -15.757 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.129 -16.248 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.572 -15.989 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.600 -12.622 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.269 -12.734 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.926 -14.211 -2.901 1.00 0.00 H new ATOM 1558 N PHE A 93 3.823 -14.593 -8.521 1.00 0.00 N ATOM 1559 CA PHE A 93 3.259 -15.462 -9.595 1.00 0.00 C ATOM 1560 C PHE A 93 3.917 -15.116 -10.932 1.00 0.00 C ATOM 1561 O PHE A 93 3.387 -14.355 -11.717 1.00 0.00 O ATOM 1562 CB PHE A 93 1.749 -15.232 -9.697 1.00 0.00 C ATOM 1563 CG PHE A 93 1.069 -15.779 -8.463 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.217 -15.124 -7.235 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.290 -16.941 -8.547 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.588 -15.630 -6.091 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.339 -17.447 -7.403 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.189 -16.791 -6.174 1.00 0.00 C ATOM 0 H PHE A 93 3.300 -13.737 -8.336 1.00 0.00 H new ATOM 0 HA PHE A 93 3.453 -16.507 -9.354 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.539 -14.167 -9.799 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.356 -15.721 -10.588 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.817 -14.228 -7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.175 -17.446 -9.495 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.703 -15.124 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.939 -18.342 -7.468 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.673 -17.181 -5.291 1.00 0.00 H new ATOM 1578 N ARG A 94 5.068 -15.670 -11.198 1.00 0.00 N ATOM 1579 CA ARG A 94 5.757 -15.374 -12.486 1.00 0.00 C ATOM 1580 C ARG A 94 5.085 -16.163 -13.612 1.00 0.00 C ATOM 1581 O ARG A 94 5.514 -17.243 -13.965 1.00 0.00 O ATOM 1582 CB ARG A 94 7.229 -15.782 -12.387 1.00 0.00 C ATOM 1583 CG ARG A 94 7.986 -14.770 -11.524 1.00 0.00 C ATOM 1584 CD ARG A 94 7.409 -14.768 -10.107 1.00 0.00 C ATOM 1585 NE ARG A 94 8.440 -14.269 -9.154 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.380 -15.070 -8.733 1.00 0.00 C ATOM 1587 NH1 ARG A 94 9.418 -16.307 -9.149 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.282 -14.637 -7.896 1.00 0.00 N ATOM 0 H ARG A 94 5.561 -16.314 -10.580 1.00 0.00 H new ATOM 0 HA ARG A 94 5.691 -14.306 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.312 -16.779 -11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.671 -15.829 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.046 -15.023 -11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.907 -13.774 -11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.522 -14.136 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.097 -15.774 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 94 8.411 -13.302 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.713 -16.647 -9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.153 -16.933 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.253 -13.671 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.016 -15.264 -7.568 1.00 0.00 H new ATOM 1602 N TYR A 95 4.035 -15.633 -14.177 1.00 0.00 N ATOM 1603 CA TYR A 95 3.339 -16.357 -15.277 1.00 0.00 C ATOM 1604 C TYR A 95 2.946 -17.755 -14.793 1.00 0.00 C ATOM 1605 O TYR A 95 2.729 -17.976 -13.618 1.00 0.00 O ATOM 1606 CB TYR A 95 4.278 -16.477 -16.479 1.00 0.00 C ATOM 1607 CG TYR A 95 4.926 -15.139 -16.746 1.00 0.00 C ATOM 1608 CD1 TYR A 95 4.221 -14.146 -17.436 1.00 0.00 C ATOM 1609 CD2 TYR A 95 6.231 -14.892 -16.304 1.00 0.00 C ATOM 1610 CE1 TYR A 95 4.822 -12.906 -17.684 1.00 0.00 C ATOM 1611 CE2 TYR A 95 6.831 -13.652 -16.551 1.00 0.00 C ATOM 1612 CZ TYR A 95 6.126 -12.659 -17.241 1.00 0.00 C ATOM 1613 OH TYR A 95 6.719 -11.437 -17.486 1.00 0.00 O ATOM 0 H TYR A 95 3.630 -14.732 -13.925 1.00 0.00 H new ATOM 0 HA TYR A 95 2.444 -15.808 -15.569 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.041 -17.230 -16.284 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.722 -16.806 -17.357 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.214 -14.336 -17.777 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.775 -15.659 -15.772 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.279 -12.140 -18.217 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.838 -13.461 -16.209 1.00 0.00 H new ATOM 0 HH TYR A 95 7.624 -11.431 -17.110 1.00 0.00 H new TER 1623 TYR A 95