USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=18 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 -94:sc= 0.438 USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= 0.871 F(o=-0.96,f=1.3) USER MOD Set 2.1: A 20 GLN : amide:sc= -2.26 K(o=-11,f=-14!) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -8.36! C(o=-11!,f=-16!) USER MOD Set 3.1: A 3 TYR OH : rot 30:sc= -0.404 USER MOD Set 3.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0467 (180deg=-0.437) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -3.82! C(o=-8.6!,f=-3.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.117 (180deg=-0.753) 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 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.9!) USER MOD Single : A 32 GLN : amide:sc= -4.53! C(o=-4.5!,f=-7.7!) USER MOD Single : A 36 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.29) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= -3.82! USER MOD Single : A 46 THR OG1 : rot -79:sc= -1.1! USER MOD Single : A 53 SER OG : rot 114:sc= 0.619 USER MOD Single : A 57 GLN :FLIP amide:sc= -6.45! C(o=-9!,f=-6.4!) USER MOD Single : A 62 CYS SG : rot 78:sc= 0.308 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.713 (180deg=-0.781) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.0658 (180deg=-0.71) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -2.06! C(o=-2.1!,f=-9.6!) 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 -20.544 -11.030 8.857 1.00 0.00 N ATOM 2 CA ALA A 1 -19.140 -11.408 8.530 1.00 0.00 C ATOM 3 C ALA A 1 -19.142 -12.628 7.607 1.00 0.00 C ATOM 4 O ALA A 1 -19.276 -13.752 8.048 1.00 0.00 O ATOM 5 CB ALA A 1 -18.391 -11.746 9.821 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.543 -10.201 9.484 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.055 -10.801 7.981 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.015 -11.825 9.334 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.646 -10.575 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.364 -12.023 9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.390 -10.877 10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.885 -12.579 10.321 1.00 0.00 H new ATOM 11 N GLY A 2 -18.994 -12.415 6.327 1.00 0.00 N ATOM 12 CA GLY A 2 -18.989 -13.563 5.377 1.00 0.00 C ATOM 13 C GLY A 2 -19.051 -13.038 3.941 1.00 0.00 C ATOM 14 O GLY A 2 -20.008 -13.264 3.227 1.00 0.00 O ATOM 0 H GLY A 2 -18.877 -11.497 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.089 -14.161 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.840 -14.215 5.574 1.00 0.00 H new ATOM 18 N TYR A 3 -18.038 -12.335 3.513 1.00 0.00 N ATOM 19 CA TYR A 3 -18.037 -11.794 2.124 1.00 0.00 C ATOM 20 C TYR A 3 -17.563 -12.877 1.152 1.00 0.00 C ATOM 21 O TYR A 3 -16.628 -13.603 1.425 1.00 0.00 O ATOM 22 CB TYR A 3 -17.094 -10.589 2.050 1.00 0.00 C ATOM 23 CG TYR A 3 -15.665 -11.055 2.194 1.00 0.00 C ATOM 24 CD1 TYR A 3 -14.989 -11.586 1.090 1.00 0.00 C ATOM 25 CD2 TYR A 3 -15.016 -10.957 3.431 1.00 0.00 C ATOM 26 CE1 TYR A 3 -13.664 -12.019 1.222 1.00 0.00 C ATOM 27 CE2 TYR A 3 -13.692 -11.389 3.564 1.00 0.00 C ATOM 28 CZ TYR A 3 -13.015 -11.921 2.458 1.00 0.00 C ATOM 29 OH TYR A 3 -11.708 -12.345 2.589 1.00 0.00 O ATOM 0 H TYR A 3 -17.210 -12.112 4.066 1.00 0.00 H new ATOM 0 HA TYR A 3 -19.046 -11.484 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.224 -10.070 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -17.336 -9.876 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.489 -11.662 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -15.538 -10.548 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.143 -12.429 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.192 -11.313 4.518 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.240 -12.231 1.736 1.00 0.00 H new ATOM 39 N THR A 4 -18.200 -12.986 0.016 1.00 0.00 N ATOM 40 CA THR A 4 -17.792 -14.017 -0.983 1.00 0.00 C ATOM 41 C THR A 4 -17.093 -13.334 -2.160 1.00 0.00 C ATOM 42 O THR A 4 -17.007 -12.124 -2.225 1.00 0.00 O ATOM 43 CB THR A 4 -19.034 -14.756 -1.485 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.730 -13.932 -2.411 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.948 -15.083 -0.303 1.00 0.00 C ATOM 0 H THR A 4 -18.989 -12.403 -0.264 1.00 0.00 H new ATOM 0 HA THR A 4 -17.109 -14.728 -0.518 1.00 0.00 H new ATOM 0 HB THR A 4 -18.734 -15.682 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.525 -14.404 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.832 -15.609 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.413 -15.714 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.251 -14.159 0.189 1.00 0.00 H new ATOM 53 N GLU A 5 -16.594 -14.099 -3.094 1.00 0.00 N ATOM 54 CA GLU A 5 -15.902 -13.489 -4.265 1.00 0.00 C ATOM 55 C GLU A 5 -16.774 -12.371 -4.843 1.00 0.00 C ATOM 56 O GLU A 5 -16.293 -11.310 -5.189 1.00 0.00 O ATOM 57 CB GLU A 5 -15.657 -14.559 -5.336 1.00 0.00 C ATOM 58 CG GLU A 5 -16.826 -15.550 -5.359 1.00 0.00 C ATOM 59 CD GLU A 5 -16.596 -16.645 -4.314 1.00 0.00 C ATOM 60 OE1 GLU A 5 -15.511 -17.203 -4.298 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.509 -16.906 -3.548 1.00 0.00 O ATOM 0 H GLU A 5 -16.636 -15.118 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.945 -13.076 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.548 -14.089 -6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.726 -15.086 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.761 -15.029 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.919 -15.994 -6.350 1.00 0.00 H new ATOM 68 N ILE A 6 -18.055 -12.599 -4.948 1.00 0.00 N ATOM 69 CA ILE A 6 -18.954 -11.549 -5.500 1.00 0.00 C ATOM 70 C ILE A 6 -18.802 -10.272 -4.673 1.00 0.00 C ATOM 71 O ILE A 6 -18.513 -9.214 -5.195 1.00 0.00 O ATOM 72 CB ILE A 6 -20.404 -12.032 -5.433 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.546 -13.327 -6.234 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.325 -10.964 -6.026 1.00 0.00 C ATOM 75 CD1 ILE A 6 -21.913 -13.953 -5.958 1.00 0.00 C ATOM 0 H ILE A 6 -18.516 -13.467 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.689 -11.347 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.679 -12.214 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.437 -13.122 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.754 -14.024 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.358 -11.308 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.223 -10.040 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.050 -10.783 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -22.013 -14.876 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.004 -14.173 -4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -22.698 -13.257 -6.253 1.00 0.00 H new ATOM 87 N GLU A 7 -18.990 -10.365 -3.386 1.00 0.00 N ATOM 88 CA GLU A 7 -18.850 -9.156 -2.528 1.00 0.00 C ATOM 89 C GLU A 7 -17.503 -8.490 -2.818 1.00 0.00 C ATOM 90 O GLU A 7 -17.432 -7.313 -3.106 1.00 0.00 O ATOM 91 CB GLU A 7 -18.911 -9.568 -1.055 1.00 0.00 C ATOM 92 CG GLU A 7 -20.367 -9.820 -0.653 1.00 0.00 C ATOM 93 CD GLU A 7 -21.108 -8.485 -0.555 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.453 -7.459 -0.642 1.00 0.00 O ATOM 95 OE2 GLU A 7 -22.316 -8.511 -0.393 1.00 0.00 O ATOM 0 H GLU A 7 -19.234 -11.224 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.658 -8.456 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.317 -10.468 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.481 -8.786 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.852 -10.464 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.406 -10.341 0.304 1.00 0.00 H new ATOM 102 N LYS A 8 -16.436 -9.238 -2.748 1.00 0.00 N ATOM 103 CA LYS A 8 -15.092 -8.652 -3.021 1.00 0.00 C ATOM 104 C LYS A 8 -15.150 -7.819 -4.303 1.00 0.00 C ATOM 105 O LYS A 8 -14.616 -6.734 -4.369 1.00 0.00 O ATOM 106 CB LYS A 8 -14.064 -9.781 -3.185 1.00 0.00 C ATOM 107 CG LYS A 8 -13.310 -9.994 -1.867 1.00 0.00 C ATOM 108 CD LYS A 8 -12.274 -11.110 -2.044 1.00 0.00 C ATOM 109 CE LYS A 8 -11.175 -10.965 -0.987 1.00 0.00 C ATOM 110 NZ LYS A 8 -10.431 -12.250 -0.863 1.00 0.00 N ATOM 0 H LYS A 8 -16.436 -10.231 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.797 -8.014 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.566 -10.702 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.361 -9.532 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.817 -9.070 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.010 -10.256 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.755 -12.084 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.840 -11.062 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.492 -10.163 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.613 -10.692 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.685 -12.151 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.087 -13.005 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.001 -12.492 -1.778 1.00 0.00 H new ATOM 124 N LEU A 9 -15.790 -8.314 -5.326 1.00 0.00 N ATOM 125 CA LEU A 9 -15.865 -7.534 -6.595 1.00 0.00 C ATOM 126 C LEU A 9 -16.676 -6.256 -6.360 1.00 0.00 C ATOM 127 O LEU A 9 -16.304 -5.184 -6.797 1.00 0.00 O ATOM 128 CB LEU A 9 -16.543 -8.383 -7.675 1.00 0.00 C ATOM 129 CG LEU A 9 -16.637 -7.591 -8.984 1.00 0.00 C ATOM 130 CD1 LEU A 9 -15.231 -7.235 -9.480 1.00 0.00 C ATOM 131 CD2 LEU A 9 -17.349 -8.443 -10.039 1.00 0.00 C ATOM 0 H LEU A 9 -16.262 -9.218 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.859 -7.269 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.977 -9.301 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.540 -8.676 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.198 -6.673 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.305 -6.672 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.723 -6.630 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.664 -8.150 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.418 -7.884 -10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.785 -9.361 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.351 -8.692 -9.690 1.00 0.00 H new ATOM 143 N GLU A 10 -17.781 -6.362 -5.675 1.00 0.00 N ATOM 144 CA GLU A 10 -18.620 -5.156 -5.417 1.00 0.00 C ATOM 145 C GLU A 10 -17.800 -4.097 -4.674 1.00 0.00 C ATOM 146 O GLU A 10 -17.718 -2.960 -5.093 1.00 0.00 O ATOM 147 CB GLU A 10 -19.829 -5.551 -4.566 1.00 0.00 C ATOM 148 CG GLU A 10 -20.734 -4.332 -4.369 1.00 0.00 C ATOM 149 CD GLU A 10 -22.007 -4.755 -3.634 1.00 0.00 C ATOM 150 OE1 GLU A 10 -21.893 -5.210 -2.508 1.00 0.00 O ATOM 151 OE2 GLU A 10 -23.073 -4.615 -4.208 1.00 0.00 O ATOM 0 H GLU A 10 -18.140 -7.232 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.957 -4.745 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.383 -6.354 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.498 -5.932 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.210 -3.565 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.987 -3.894 -5.334 1.00 0.00 H new ATOM 158 N ILE A 11 -17.200 -4.455 -3.571 1.00 0.00 N ATOM 159 CA ILE A 11 -16.399 -3.455 -2.806 1.00 0.00 C ATOM 160 C ILE A 11 -15.116 -3.117 -3.569 1.00 0.00 C ATOM 161 O ILE A 11 -14.915 -1.998 -3.981 1.00 0.00 O ATOM 162 CB ILE A 11 -16.038 -4.016 -1.422 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.933 -5.548 -1.485 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.117 -3.622 -0.409 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.898 -6.032 -0.464 1.00 0.00 C ATOM 0 H ILE A 11 -17.229 -5.391 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.995 -2.551 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.078 -3.603 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.903 -5.998 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.645 -5.862 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.858 -4.021 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.184 -2.536 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.078 -4.029 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.823 -7.119 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.927 -5.592 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.206 -5.730 0.537 1.00 0.00 H new ATOM 177 N VAL A 12 -14.246 -4.071 -3.753 1.00 0.00 N ATOM 178 CA VAL A 12 -12.968 -3.799 -4.477 1.00 0.00 C ATOM 179 C VAL A 12 -13.208 -2.850 -5.650 1.00 0.00 C ATOM 180 O VAL A 12 -12.393 -1.998 -5.944 1.00 0.00 O ATOM 181 CB VAL A 12 -12.387 -5.112 -5.001 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.113 -4.825 -5.797 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.058 -6.031 -3.820 1.00 0.00 C ATOM 0 H VAL A 12 -14.364 -5.032 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.267 -3.334 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.116 -5.600 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.699 -5.761 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.348 -4.172 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.383 -4.337 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.644 -6.968 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.329 -5.544 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.967 -6.236 -3.254 1.00 0.00 H new ATOM 193 N LYS A 13 -14.300 -2.995 -6.343 1.00 0.00 N ATOM 194 CA LYS A 13 -14.554 -2.100 -7.506 1.00 0.00 C ATOM 195 C LYS A 13 -15.141 -0.749 -7.066 1.00 0.00 C ATOM 196 O LYS A 13 -14.824 0.281 -7.629 1.00 0.00 O ATOM 197 CB LYS A 13 -15.522 -2.787 -8.471 1.00 0.00 C ATOM 198 CG LYS A 13 -15.860 -1.833 -9.619 1.00 0.00 C ATOM 199 CD LYS A 13 -16.553 -2.607 -10.742 1.00 0.00 C ATOM 200 CE LYS A 13 -17.155 -1.620 -11.743 1.00 0.00 C ATOM 201 NZ LYS A 13 -18.336 -0.949 -11.129 1.00 0.00 N ATOM 0 H LYS A 13 -15.024 -3.689 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.601 -1.907 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.075 -3.701 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.432 -3.077 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.508 -1.033 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.951 -1.363 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.838 -3.260 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.334 -3.246 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.410 -0.878 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.452 -2.143 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.955 -0.580 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.863 -1.634 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.015 -0.164 -10.528 1.00 0.00 H new ATOM 215 N ASP A 14 -16.026 -0.741 -6.109 1.00 0.00 N ATOM 216 CA ASP A 14 -16.665 0.545 -5.687 1.00 0.00 C ATOM 217 C ASP A 14 -15.774 1.358 -4.734 1.00 0.00 C ATOM 218 O ASP A 14 -15.744 2.570 -4.798 1.00 0.00 O ATOM 219 CB ASP A 14 -17.990 0.237 -4.987 1.00 0.00 C ATOM 220 CG ASP A 14 -18.776 1.535 -4.788 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.205 2.589 -5.014 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.934 1.452 -4.415 1.00 0.00 O ATOM 0 H ASP A 14 -16.337 -1.567 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.823 1.144 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.573 -0.466 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.803 -0.239 -4.024 1.00 0.00 H new ATOM 227 N HIS A 15 -15.096 0.720 -3.823 1.00 0.00 N ATOM 228 CA HIS A 15 -14.261 1.475 -2.837 1.00 0.00 C ATOM 229 C HIS A 15 -12.979 2.046 -3.469 1.00 0.00 C ATOM 230 O HIS A 15 -12.544 3.125 -3.119 1.00 0.00 O ATOM 231 CB HIS A 15 -13.894 0.549 -1.671 1.00 0.00 C ATOM 232 CG HIS A 15 -12.650 -0.231 -1.997 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.286 -0.956 -3.104 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.584 -0.325 -1.114 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.017 -1.490 -2.910 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.637 -1.081 -1.699 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.081 -0.294 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.851 2.320 -2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.737 1.137 -0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.718 -0.135 -1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.525 0.127 -0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.456 -2.107 -3.597 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.741 -1.312 -1.270 1.00 0.00 H new ATOM 245 N LEU A 16 -12.345 1.322 -4.352 1.00 0.00 N ATOM 246 CA LEU A 16 -11.064 1.818 -4.948 1.00 0.00 C ATOM 247 C LEU A 16 -11.097 3.333 -5.208 1.00 0.00 C ATOM 248 O LEU A 16 -10.101 4.007 -5.040 1.00 0.00 O ATOM 249 CB LEU A 16 -10.766 1.077 -6.262 1.00 0.00 C ATOM 250 CG LEU A 16 -11.951 1.191 -7.237 1.00 0.00 C ATOM 251 CD1 LEU A 16 -11.942 2.555 -7.950 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.846 0.081 -8.289 1.00 0.00 C ATOM 0 H LEU A 16 -12.655 0.410 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.274 1.619 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.869 1.492 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.561 0.027 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.877 1.094 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.788 2.613 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.017 3.352 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.014 2.666 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.683 0.157 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.910 0.187 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.870 -0.891 -7.796 1.00 0.00 H new ATOM 264 N LEU A 17 -12.200 3.880 -5.641 1.00 0.00 N ATOM 265 CA LEU A 17 -12.220 5.348 -5.928 1.00 0.00 C ATOM 266 C LEU A 17 -12.386 6.164 -4.633 1.00 0.00 C ATOM 267 O LEU A 17 -11.472 6.843 -4.217 1.00 0.00 O ATOM 268 CB LEU A 17 -13.355 5.679 -6.916 1.00 0.00 C ATOM 269 CG LEU A 17 -12.789 5.826 -8.337 1.00 0.00 C ATOM 270 CD1 LEU A 17 -13.903 5.587 -9.359 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.232 7.240 -8.523 1.00 0.00 C ATOM 0 H LEU A 17 -13.077 3.386 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.265 5.620 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.108 4.891 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.852 6.602 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.993 5.096 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.501 5.691 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.305 4.582 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.698 6.317 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.831 7.343 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.030 7.968 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.439 7.417 -7.797 1.00 0.00 H new ATOM 283 N PRO A 18 -13.539 6.123 -4.012 1.00 0.00 N ATOM 284 CA PRO A 18 -13.805 6.905 -2.762 1.00 0.00 C ATOM 285 C PRO A 18 -12.832 6.570 -1.624 1.00 0.00 C ATOM 286 O PRO A 18 -12.232 7.446 -1.035 1.00 0.00 O ATOM 287 CB PRO A 18 -15.242 6.521 -2.375 1.00 0.00 C ATOM 288 CG PRO A 18 -15.542 5.270 -3.133 1.00 0.00 C ATOM 289 CD PRO A 18 -14.709 5.333 -4.410 1.00 0.00 C ATOM 0 HA PRO A 18 -13.672 7.973 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.328 6.358 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.943 7.314 -2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.286 4.388 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.605 5.201 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.425 4.339 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.257 5.808 -5.224 1.00 0.00 H new ATOM 297 N LYS A 19 -12.679 5.316 -1.301 1.00 0.00 N ATOM 298 CA LYS A 19 -11.754 4.942 -0.191 1.00 0.00 C ATOM 299 C LYS A 19 -10.422 5.680 -0.352 1.00 0.00 C ATOM 300 O LYS A 19 -10.147 6.645 0.333 1.00 0.00 O ATOM 301 CB LYS A 19 -11.511 3.429 -0.219 1.00 0.00 C ATOM 302 CG LYS A 19 -10.414 3.052 0.785 1.00 0.00 C ATOM 303 CD LYS A 19 -10.752 3.622 2.166 1.00 0.00 C ATOM 304 CE LYS A 19 -9.984 2.851 3.243 1.00 0.00 C ATOM 305 NZ LYS A 19 -9.973 3.641 4.506 1.00 0.00 N ATOM 0 H LYS A 19 -13.152 4.535 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.203 5.222 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.433 2.900 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.219 3.118 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.319 1.968 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.452 3.439 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.492 4.680 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.824 3.550 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.450 1.880 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.963 2.661 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.451 3.118 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.510 4.557 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.950 3.800 4.824 1.00 0.00 H new ATOM 319 N GLN A 20 -9.590 5.223 -1.245 1.00 0.00 N ATOM 320 CA GLN A 20 -8.267 5.880 -1.450 1.00 0.00 C ATOM 321 C GLN A 20 -8.440 7.395 -1.605 1.00 0.00 C ATOM 322 O GLN A 20 -7.809 8.169 -0.919 1.00 0.00 O ATOM 323 CB GLN A 20 -7.608 5.309 -2.709 1.00 0.00 C ATOM 324 CG GLN A 20 -7.820 3.793 -2.764 1.00 0.00 C ATOM 325 CD GLN A 20 -7.417 3.164 -1.427 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.524 3.646 -0.759 1.00 0.00 O ATOM 327 NE2 GLN A 20 -8.043 2.098 -1.007 1.00 0.00 N ATOM 0 H GLN A 20 -9.769 4.418 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.637 5.687 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.033 5.777 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.542 5.536 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.865 3.570 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.228 3.363 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.793 1.693 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.782 1.670 -0.118 1.00 0.00 H new ATOM 336 N ILE A 21 -9.277 7.825 -2.507 1.00 0.00 N ATOM 337 CA ILE A 21 -9.468 9.292 -2.709 1.00 0.00 C ATOM 338 C ILE A 21 -9.622 10.005 -1.362 1.00 0.00 C ATOM 339 O ILE A 21 -9.152 11.106 -1.190 1.00 0.00 O ATOM 340 CB ILE A 21 -10.713 9.544 -3.573 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.371 9.318 -5.056 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.209 10.982 -3.377 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.301 10.318 -5.527 1.00 0.00 C ATOM 0 H ILE A 21 -9.838 7.226 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.589 9.688 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.498 8.851 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.012 8.299 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.270 9.428 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.092 11.150 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.464 11.139 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.425 11.680 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.074 10.140 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.674 11.335 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.396 10.189 -4.934 1.00 0.00 H new ATOM 355 N LYS A 22 -10.295 9.415 -0.415 1.00 0.00 N ATOM 356 CA LYS A 22 -10.478 10.109 0.896 1.00 0.00 C ATOM 357 C LYS A 22 -9.141 10.220 1.639 1.00 0.00 C ATOM 358 O LYS A 22 -8.492 11.255 1.617 1.00 0.00 O ATOM 359 CB LYS A 22 -11.480 9.327 1.754 1.00 0.00 C ATOM 360 CG LYS A 22 -11.985 10.215 2.900 1.00 0.00 C ATOM 361 CD LYS A 22 -13.213 11.005 2.439 1.00 0.00 C ATOM 362 CE LYS A 22 -13.562 12.065 3.485 1.00 0.00 C ATOM 363 NZ LYS A 22 -12.461 13.067 3.565 1.00 0.00 N ATOM 0 H LYS A 22 -10.723 8.492 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.858 11.114 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.318 8.997 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.007 8.431 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.239 9.601 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.198 10.900 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.013 11.479 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.058 10.332 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.498 12.558 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.712 11.596 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.841 13.974 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.732 12.730 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.041 13.197 2.623 1.00 0.00 H new ATOM 377 N GLU A 23 -8.724 9.172 2.297 1.00 0.00 N ATOM 378 CA GLU A 23 -7.433 9.218 3.042 1.00 0.00 C ATOM 379 C GLU A 23 -6.383 9.923 2.184 1.00 0.00 C ATOM 380 O GLU A 23 -5.571 10.686 2.670 1.00 0.00 O ATOM 381 CB GLU A 23 -6.972 7.792 3.352 1.00 0.00 C ATOM 382 CG GLU A 23 -5.832 7.832 4.372 1.00 0.00 C ATOM 383 CD GLU A 23 -6.405 8.042 5.776 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.735 9.172 6.096 1.00 0.00 O ATOM 385 OE2 GLU A 23 -6.505 7.069 6.506 1.00 0.00 O ATOM 0 H GLU A 23 -9.223 8.284 2.351 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.566 9.764 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.804 7.207 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.639 7.300 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.265 6.902 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.139 8.637 4.127 1.00 0.00 H new ATOM 392 N HIS A 24 -6.404 9.671 0.908 1.00 0.00 N ATOM 393 CA HIS A 24 -5.425 10.317 -0.006 1.00 0.00 C ATOM 394 C HIS A 24 -5.908 11.730 -0.329 1.00 0.00 C ATOM 395 O HIS A 24 -5.132 12.655 -0.423 1.00 0.00 O ATOM 396 CB HIS A 24 -5.311 9.495 -1.292 1.00 0.00 C ATOM 397 CG HIS A 24 -5.082 8.050 -0.937 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.659 7.460 0.179 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.334 7.067 -1.535 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.250 6.178 0.218 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.444 5.890 -0.804 1.00 0.00 N ATOM 0 H HIS A 24 -7.064 9.039 0.454 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.446 10.368 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.220 9.597 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.489 9.866 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.750 7.189 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.539 5.471 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.001 4.994 -1.007 1.00 0.00 H new ATOM 410 N GLY A 25 -7.193 11.892 -0.499 1.00 0.00 N ATOM 411 CA GLY A 25 -7.761 13.236 -0.812 1.00 0.00 C ATOM 412 C GLY A 25 -7.049 14.304 0.014 1.00 0.00 C ATOM 413 O GLY A 25 -6.808 15.400 -0.452 1.00 0.00 O ATOM 0 H GLY A 25 -7.881 11.142 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.648 13.450 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.829 13.249 -0.596 1.00 0.00 H new ATOM 417 N LEU A 26 -6.721 13.997 1.242 1.00 0.00 N ATOM 418 CA LEU A 26 -6.030 15.003 2.105 1.00 0.00 C ATOM 419 C LEU A 26 -5.040 15.807 1.253 1.00 0.00 C ATOM 420 O LEU A 26 -4.913 17.005 1.401 1.00 0.00 O ATOM 421 CB LEU A 26 -5.277 14.284 3.231 1.00 0.00 C ATOM 422 CG LEU A 26 -6.237 13.987 4.386 1.00 0.00 C ATOM 423 CD1 LEU A 26 -7.432 13.184 3.868 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.507 13.177 5.459 1.00 0.00 C ATOM 0 H LEU A 26 -6.901 13.096 1.685 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.767 15.678 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.844 13.356 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.451 14.902 3.582 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.590 14.926 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.114 12.974 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.953 13.760 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.081 12.245 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.190 12.965 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.154 12.239 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.657 13.749 5.831 1.00 0.00 H new ATOM 436 N LYS A 27 -4.357 15.161 0.345 1.00 0.00 N ATOM 437 CA LYS A 27 -3.402 15.891 -0.532 1.00 0.00 C ATOM 438 C LYS A 27 -4.115 16.227 -1.842 1.00 0.00 C ATOM 439 O LYS A 27 -5.099 15.608 -2.196 1.00 0.00 O ATOM 440 CB LYS A 27 -2.191 15.002 -0.826 1.00 0.00 C ATOM 441 CG LYS A 27 -1.352 14.824 0.447 1.00 0.00 C ATOM 442 CD LYS A 27 -0.362 15.988 0.585 1.00 0.00 C ATOM 443 CE LYS A 27 0.565 15.744 1.781 1.00 0.00 C ATOM 444 NZ LYS A 27 1.856 16.455 1.558 1.00 0.00 N ATOM 0 H LYS A 27 -4.421 14.157 0.174 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.063 16.803 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.523 14.030 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.583 15.449 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.003 14.783 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.812 13.878 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.226 16.087 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.904 16.924 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.095 16.099 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.742 14.676 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.487 16.291 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.305 16.096 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.678 17.475 1.459 1.00 0.00 H new ATOM 458 N LYS A 28 -3.635 17.199 -2.568 1.00 0.00 N ATOM 459 CA LYS A 28 -4.295 17.561 -3.855 1.00 0.00 C ATOM 460 C LYS A 28 -4.634 16.286 -4.631 1.00 0.00 C ATOM 461 O LYS A 28 -3.996 15.265 -4.466 1.00 0.00 O ATOM 462 CB LYS A 28 -3.344 18.428 -4.684 1.00 0.00 C ATOM 463 CG LYS A 28 -2.075 17.630 -5.018 1.00 0.00 C ATOM 464 CD LYS A 28 -0.878 18.581 -5.149 1.00 0.00 C ATOM 465 CE LYS A 28 -0.255 18.821 -3.771 1.00 0.00 C ATOM 466 NZ LYS A 28 0.622 20.026 -3.824 1.00 0.00 N ATOM 0 H LYS A 28 -2.816 17.757 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.212 18.115 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.836 18.749 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.083 19.330 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.882 16.894 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.216 17.079 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.136 18.156 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.199 19.528 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.038 18.961 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.324 17.950 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.045 20.189 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.377 19.876 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.057 20.855 -4.097 1.00 0.00 H new ATOM 480 N SER A 29 -5.632 16.333 -5.477 1.00 0.00 N ATOM 481 CA SER A 29 -6.009 15.120 -6.264 1.00 0.00 C ATOM 482 C SER A 29 -4.738 14.414 -6.737 1.00 0.00 C ATOM 483 O SER A 29 -4.158 14.769 -7.743 1.00 0.00 O ATOM 484 CB SER A 29 -6.842 15.539 -7.477 1.00 0.00 C ATOM 485 OG SER A 29 -7.466 14.390 -8.037 1.00 0.00 O ATOM 0 H SER A 29 -6.202 17.159 -5.657 1.00 0.00 H new ATOM 0 HA SER A 29 -6.593 14.444 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.596 16.269 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.207 16.021 -8.220 1.00 0.00 H new ATOM 0 HG SER A 29 -8.002 14.655 -8.814 1.00 0.00 H new ATOM 491 N ASN A 30 -4.291 13.428 -6.003 1.00 0.00 N ATOM 492 CA ASN A 30 -3.042 12.710 -6.391 1.00 0.00 C ATOM 493 C ASN A 30 -3.307 11.206 -6.527 1.00 0.00 C ATOM 494 O ASN A 30 -2.624 10.393 -5.939 1.00 0.00 O ATOM 495 CB ASN A 30 -1.977 12.952 -5.312 1.00 0.00 C ATOM 496 CG ASN A 30 -0.578 12.881 -5.935 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.331 12.327 -5.351 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.366 13.424 -7.104 1.00 0.00 N ATOM 0 H ASN A 30 -4.738 13.089 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.694 13.086 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.130 13.927 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.071 12.207 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.562 13.382 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.129 13.890 -7.596 1.00 0.00 H new ATOM 505 N LEU A 31 -4.286 10.827 -7.306 1.00 0.00 N ATOM 506 CA LEU A 31 -4.573 9.374 -7.478 1.00 0.00 C ATOM 507 C LEU A 31 -5.414 9.156 -8.743 1.00 0.00 C ATOM 508 O LEU A 31 -6.528 9.629 -8.845 1.00 0.00 O ATOM 509 CB LEU A 31 -5.340 8.858 -6.254 1.00 0.00 C ATOM 510 CG LEU A 31 -5.031 7.374 -6.034 1.00 0.00 C ATOM 511 CD1 LEU A 31 -5.902 6.836 -4.898 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.332 6.592 -7.315 1.00 0.00 C ATOM 0 H LEU A 31 -4.896 11.457 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.634 8.829 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.061 9.432 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.411 8.998 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.978 7.259 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.683 5.780 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.691 7.391 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.954 6.953 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.112 5.536 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.385 6.708 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.714 6.974 -8.128 1.00 0.00 H new ATOM 524 N GLN A 32 -4.893 8.436 -9.703 1.00 0.00 N ATOM 525 CA GLN A 32 -5.667 8.182 -10.956 1.00 0.00 C ATOM 526 C GLN A 32 -5.399 6.749 -11.429 1.00 0.00 C ATOM 527 O GLN A 32 -4.551 6.509 -12.263 1.00 0.00 O ATOM 528 CB GLN A 32 -5.232 9.184 -12.039 1.00 0.00 C ATOM 529 CG GLN A 32 -6.376 10.158 -12.342 1.00 0.00 C ATOM 530 CD GLN A 32 -6.719 10.956 -11.082 1.00 0.00 C ATOM 531 OE1 GLN A 32 -5.842 11.340 -10.334 1.00 0.00 O ATOM 532 NE2 GLN A 32 -7.967 11.224 -10.815 1.00 0.00 N ATOM 0 H GLN A 32 -3.965 8.013 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.733 8.306 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.353 9.735 -11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.947 8.651 -12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.087 10.835 -13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.252 9.609 -12.687 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.703 10.902 -11.443 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.207 11.756 -9.978 1.00 0.00 H new ATOM 541 N LEU A 33 -6.114 5.793 -10.899 1.00 0.00 N ATOM 542 CA LEU A 33 -5.897 4.376 -11.316 1.00 0.00 C ATOM 543 C LEU A 33 -7.043 3.921 -12.218 1.00 0.00 C ATOM 544 O LEU A 33 -8.023 4.617 -12.401 1.00 0.00 O ATOM 545 CB LEU A 33 -5.827 3.474 -10.076 1.00 0.00 C ATOM 546 CG LEU A 33 -6.900 3.882 -9.058 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.298 3.610 -9.629 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.707 3.071 -7.774 1.00 0.00 C ATOM 0 H LEU A 33 -6.839 5.931 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.958 4.306 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.969 2.433 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.839 3.546 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.806 4.946 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.053 3.903 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.436 4.186 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.400 2.548 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.466 3.356 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.799 2.008 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.717 3.271 -7.363 1.00 0.00 H new ATOM 560 N ARG A 34 -6.922 2.752 -12.783 1.00 0.00 N ATOM 561 CA ARG A 34 -7.996 2.226 -13.679 1.00 0.00 C ATOM 562 C ARG A 34 -8.361 0.806 -13.245 1.00 0.00 C ATOM 563 O ARG A 34 -7.545 0.082 -12.708 1.00 0.00 O ATOM 564 CB ARG A 34 -7.491 2.205 -15.124 1.00 0.00 C ATOM 565 CG ARG A 34 -6.836 3.547 -15.456 1.00 0.00 C ATOM 566 CD ARG A 34 -6.614 3.649 -16.966 1.00 0.00 C ATOM 567 NE ARG A 34 -6.053 4.990 -17.295 1.00 0.00 N ATOM 568 CZ ARG A 34 -5.715 5.273 -18.523 1.00 0.00 C ATOM 569 NH1 ARG A 34 -5.867 4.382 -19.465 1.00 0.00 N ATOM 570 NH2 ARG A 34 -5.224 6.448 -18.810 1.00 0.00 N ATOM 0 H ARG A 34 -6.121 2.133 -12.663 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.875 2.867 -13.613 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.774 1.395 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.319 2.014 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.469 4.366 -15.115 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.885 3.639 -14.931 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.932 2.866 -17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.555 3.497 -17.494 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.933 5.687 -16.560 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.250 3.464 -19.241 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.602 4.604 -20.425 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.105 7.144 -18.074 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.960 6.670 -19.770 1.00 0.00 H new ATOM 584 N ASP A 35 -9.580 0.400 -13.470 1.00 0.00 N ATOM 585 CA ASP A 35 -9.998 -0.972 -13.065 1.00 0.00 C ATOM 586 C ASP A 35 -8.943 -1.985 -13.522 1.00 0.00 C ATOM 587 O ASP A 35 -8.575 -2.883 -12.791 1.00 0.00 O ATOM 588 CB ASP A 35 -11.341 -1.309 -13.714 1.00 0.00 C ATOM 589 CG ASP A 35 -11.903 -2.588 -13.092 1.00 0.00 C ATOM 590 OD1 ASP A 35 -11.335 -3.639 -13.334 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.892 -2.495 -12.384 1.00 0.00 O ATOM 0 H ASP A 35 -10.306 0.960 -13.917 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.097 -1.015 -11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.041 -0.486 -13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.215 -1.440 -14.789 1.00 0.00 H new ATOM 596 N GLN A 36 -8.457 -1.849 -14.725 1.00 0.00 N ATOM 597 CA GLN A 36 -7.428 -2.805 -15.224 1.00 0.00 C ATOM 598 C GLN A 36 -6.266 -2.872 -14.232 1.00 0.00 C ATOM 599 O GLN A 36 -5.792 -3.936 -13.887 1.00 0.00 O ATOM 600 CB GLN A 36 -6.911 -2.336 -16.586 1.00 0.00 C ATOM 601 CG GLN A 36 -6.018 -3.421 -17.193 1.00 0.00 C ATOM 602 CD GLN A 36 -5.417 -2.914 -18.504 1.00 0.00 C ATOM 603 OE1 GLN A 36 -6.104 -2.323 -19.315 1.00 0.00 O ATOM 604 NE2 GLN A 36 -4.152 -3.120 -18.750 1.00 0.00 N ATOM 0 H GLN A 36 -8.727 -1.118 -15.383 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.874 -3.794 -15.326 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.748 -2.124 -17.251 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.350 -1.408 -16.474 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.224 -3.685 -16.495 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.599 -4.326 -17.373 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.574 -3.616 -18.071 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.741 -2.785 -19.621 1.00 0.00 H new ATOM 613 N ALA A 37 -5.803 -1.743 -13.770 1.00 0.00 N ATOM 614 CA ALA A 37 -4.670 -1.744 -12.801 1.00 0.00 C ATOM 615 C ALA A 37 -5.058 -2.552 -11.559 1.00 0.00 C ATOM 616 O ALA A 37 -4.420 -3.529 -11.220 1.00 0.00 O ATOM 617 CB ALA A 37 -4.349 -0.304 -12.396 1.00 0.00 C ATOM 0 H ALA A 37 -6.159 -0.821 -14.021 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.794 -2.196 -13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.521 -0.301 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.072 0.269 -13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.226 0.147 -11.931 1.00 0.00 H new ATOM 623 N ILE A 38 -6.099 -2.151 -10.879 1.00 0.00 N ATOM 624 CA ILE A 38 -6.529 -2.892 -9.658 1.00 0.00 C ATOM 625 C ILE A 38 -6.517 -4.398 -9.942 1.00 0.00 C ATOM 626 O ILE A 38 -6.022 -5.183 -9.157 1.00 0.00 O ATOM 627 CB ILE A 38 -7.950 -2.458 -9.275 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.920 -1.024 -8.720 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.516 -3.416 -8.220 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.659 -1.044 -7.209 1.00 0.00 C ATOM 0 H ILE A 38 -6.671 -1.341 -11.117 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.845 -2.671 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.587 -2.485 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.143 -0.448 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.868 -0.527 -8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.525 -3.105 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.544 -4.428 -8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.882 -3.397 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.640 -0.022 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.451 -1.602 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.699 -1.522 -7.012 1.00 0.00 H new ATOM 642 N LEU A 39 -7.059 -4.808 -11.056 1.00 0.00 N ATOM 643 CA LEU A 39 -7.082 -6.262 -11.385 1.00 0.00 C ATOM 644 C LEU A 39 -5.651 -6.801 -11.421 1.00 0.00 C ATOM 645 O LEU A 39 -5.366 -7.865 -10.908 1.00 0.00 O ATOM 646 CB LEU A 39 -7.742 -6.467 -12.753 1.00 0.00 C ATOM 647 CG LEU A 39 -9.268 -6.345 -12.619 1.00 0.00 C ATOM 648 CD1 LEU A 39 -9.866 -5.896 -13.954 1.00 0.00 C ATOM 649 CD2 LEU A 39 -9.863 -7.704 -12.234 1.00 0.00 C ATOM 0 H LEU A 39 -7.487 -4.199 -11.753 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.651 -6.797 -10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.370 -5.727 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.480 -7.448 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.501 -5.612 -11.847 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.948 -5.810 -13.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.449 -4.928 -14.233 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.628 -6.629 -14.724 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.945 -7.614 -12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.626 -8.437 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.442 -8.029 -11.283 1.00 0.00 H new ATOM 661 N ASP A 40 -4.750 -6.078 -12.022 1.00 0.00 N ATOM 662 CA ASP A 40 -3.338 -6.550 -12.090 1.00 0.00 C ATOM 663 C ASP A 40 -2.806 -6.777 -10.673 1.00 0.00 C ATOM 664 O ASP A 40 -2.163 -7.768 -10.392 1.00 0.00 O ATOM 665 CB ASP A 40 -2.480 -5.497 -12.793 1.00 0.00 C ATOM 666 CG ASP A 40 -1.061 -6.038 -12.985 1.00 0.00 C ATOM 667 OD1 ASP A 40 -0.835 -6.714 -13.975 1.00 0.00 O ATOM 668 OD2 ASP A 40 -0.226 -5.768 -12.137 1.00 0.00 O ATOM 0 H ASP A 40 -4.929 -5.179 -12.470 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.296 -7.485 -12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.917 -5.242 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.454 -4.581 -12.203 1.00 0.00 H new ATOM 673 N ILE A 41 -3.068 -5.864 -9.780 1.00 0.00 N ATOM 674 CA ILE A 41 -2.574 -6.025 -8.382 1.00 0.00 C ATOM 675 C ILE A 41 -3.121 -7.325 -7.785 1.00 0.00 C ATOM 676 O ILE A 41 -2.417 -8.308 -7.664 1.00 0.00 O ATOM 677 CB ILE A 41 -3.050 -4.842 -7.535 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.726 -3.536 -8.260 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.338 -4.863 -6.181 1.00 0.00 C ATOM 680 CD1 ILE A 41 -3.190 -2.352 -7.412 1.00 0.00 C ATOM 0 H ILE A 41 -3.602 -5.013 -9.957 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.485 -6.060 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.126 -4.916 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.654 -3.467 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.219 -3.516 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.677 -4.020 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.567 -5.795 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.261 -4.789 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.959 -1.421 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.266 -2.420 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.677 -2.370 -6.451 1.00 0.00 H new ATOM 692 N ILE A 42 -4.370 -7.332 -7.405 1.00 0.00 N ATOM 693 CA ILE A 42 -4.969 -8.560 -6.808 1.00 0.00 C ATOM 694 C ILE A 42 -4.571 -9.786 -7.640 1.00 0.00 C ATOM 695 O ILE A 42 -4.284 -10.841 -7.110 1.00 0.00 O ATOM 696 CB ILE A 42 -6.500 -8.402 -6.766 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.074 -9.174 -5.570 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.133 -8.925 -8.061 1.00 0.00 C ATOM 699 CD1 ILE A 42 -6.588 -10.626 -5.598 1.00 0.00 C ATOM 0 H ILE A 42 -5.004 -6.537 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.599 -8.701 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.732 -7.342 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.767 -8.698 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.163 -9.146 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.215 -8.804 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.744 -8.362 -8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.891 -9.981 -8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.001 -11.164 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.917 -11.102 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.499 -10.646 -5.547 1.00 0.00 H new ATOM 711 N ARG A 43 -4.554 -9.656 -8.937 1.00 0.00 N ATOM 712 CA ARG A 43 -4.180 -10.813 -9.797 1.00 0.00 C ATOM 713 C ARG A 43 -2.744 -11.246 -9.486 1.00 0.00 C ATOM 714 O ARG A 43 -2.437 -12.420 -9.440 1.00 0.00 O ATOM 715 CB ARG A 43 -4.282 -10.413 -11.270 1.00 0.00 C ATOM 716 CG ARG A 43 -3.872 -11.595 -12.149 1.00 0.00 C ATOM 717 CD ARG A 43 -4.325 -11.345 -13.588 1.00 0.00 C ATOM 718 NE ARG A 43 -5.799 -11.125 -13.615 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.361 -10.596 -14.667 1.00 0.00 C ATOM 720 NH1 ARG A 43 -5.632 -10.261 -15.696 1.00 0.00 N ATOM 721 NH2 ARG A 43 -7.651 -10.401 -14.688 1.00 0.00 N ATOM 0 H ARG A 43 -4.783 -8.798 -9.439 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.859 -11.642 -9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.302 -10.108 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.638 -9.556 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.791 -11.728 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.319 -12.515 -11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.810 -10.476 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.062 -12.196 -14.216 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.369 -11.388 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.624 -10.413 -15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.071 -9.847 -16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.219 -10.662 -13.882 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.091 -9.987 -15.510 1.00 0.00 H new ATOM 735 N TYR A 44 -1.862 -10.307 -9.271 1.00 0.00 N ATOM 736 CA TYR A 44 -0.451 -10.670 -8.964 1.00 0.00 C ATOM 737 C TYR A 44 -0.407 -11.372 -7.608 1.00 0.00 C ATOM 738 O TYR A 44 0.317 -12.326 -7.410 1.00 0.00 O ATOM 739 CB TYR A 44 0.403 -9.397 -8.914 1.00 0.00 C ATOM 740 CG TYR A 44 0.890 -9.049 -10.303 1.00 0.00 C ATOM 741 CD1 TYR A 44 0.043 -9.206 -11.408 1.00 0.00 C ATOM 742 CD2 TYR A 44 2.191 -8.565 -10.484 1.00 0.00 C ATOM 743 CE1 TYR A 44 0.498 -8.880 -12.691 1.00 0.00 C ATOM 744 CE2 TYR A 44 2.646 -8.240 -11.767 1.00 0.00 C ATOM 745 CZ TYR A 44 1.800 -8.397 -12.871 1.00 0.00 C ATOM 746 OH TYR A 44 2.248 -8.075 -14.136 1.00 0.00 O ATOM 0 H TYR A 44 -2.058 -9.306 -9.295 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.060 -11.333 -9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.182 -8.572 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.253 -9.545 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.961 -9.579 -11.270 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.844 -8.442 -9.633 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.155 -9.001 -13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.650 -7.868 -11.905 1.00 0.00 H new ATOM 0 HH TYR A 44 3.172 -7.754 -14.084 1.00 0.00 H new ATOM 756 N TYR A 45 -1.180 -10.899 -6.671 1.00 0.00 N ATOM 757 CA TYR A 45 -1.194 -11.527 -5.321 1.00 0.00 C ATOM 758 C TYR A 45 -2.209 -12.669 -5.292 1.00 0.00 C ATOM 759 O TYR A 45 -1.855 -13.827 -5.195 1.00 0.00 O ATOM 760 CB TYR A 45 -1.591 -10.483 -4.280 1.00 0.00 C ATOM 761 CG TYR A 45 -0.523 -9.424 -4.198 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.650 -9.671 -3.479 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.707 -8.196 -4.841 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.642 -8.689 -3.402 1.00 0.00 C ATOM 765 CE2 TYR A 45 0.284 -7.213 -4.765 1.00 0.00 C ATOM 766 CZ TYR A 45 1.460 -7.459 -4.045 1.00 0.00 C ATOM 767 OH TYR A 45 2.440 -6.489 -3.969 1.00 0.00 O ATOM 0 H TYR A 45 -1.805 -10.101 -6.783 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.201 -11.916 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.546 -10.031 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.724 -10.956 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.790 -10.620 -2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.614 -8.007 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.548 -8.879 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.143 -6.264 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 45 3.317 -6.917 -3.882 1.00 0.00 H new ATOM 777 N THR A 46 -3.470 -12.349 -5.366 1.00 0.00 N ATOM 778 CA THR A 46 -4.510 -13.413 -5.330 1.00 0.00 C ATOM 779 C THR A 46 -4.491 -14.073 -3.950 1.00 0.00 C ATOM 780 O THR A 46 -5.212 -15.017 -3.689 1.00 0.00 O ATOM 781 CB THR A 46 -4.213 -14.457 -6.416 1.00 0.00 C ATOM 782 OG1 THR A 46 -3.287 -13.914 -7.346 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.508 -14.827 -7.143 1.00 0.00 C ATOM 0 H THR A 46 -3.825 -11.397 -5.450 1.00 0.00 H new ATOM 0 HA THR A 46 -5.494 -12.982 -5.516 1.00 0.00 H new ATOM 0 HB THR A 46 -3.791 -15.350 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.757 -13.316 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.294 -15.568 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.220 -15.241 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.933 -13.936 -7.605 1.00 0.00 H new ATOM 791 N ARG A 47 -3.670 -13.579 -3.064 1.00 0.00 N ATOM 792 CA ARG A 47 -3.598 -14.168 -1.700 1.00 0.00 C ATOM 793 C ARG A 47 -4.847 -13.775 -0.909 1.00 0.00 C ATOM 794 O ARG A 47 -5.183 -12.614 -0.796 1.00 0.00 O ATOM 795 CB ARG A 47 -2.346 -13.647 -0.985 1.00 0.00 C ATOM 796 CG ARG A 47 -2.370 -12.108 -0.929 1.00 0.00 C ATOM 797 CD ARG A 47 -2.795 -11.643 0.469 1.00 0.00 C ATOM 798 NE ARG A 47 -1.622 -11.696 1.385 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.736 -10.739 1.364 1.00 0.00 C ATOM 800 NH1 ARG A 47 -0.879 -9.735 0.542 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.295 -10.786 2.164 1.00 0.00 N ATOM 0 H ARG A 47 -3.045 -12.790 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.545 -15.254 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.298 -14.055 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.452 -13.986 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.384 -11.711 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.061 -11.719 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.189 -10.628 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.596 -12.278 0.848 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.512 -12.480 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.684 -9.699 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.186 -8.987 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.408 -11.571 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.988 -10.038 2.148 1.00 0.00 H new ATOM 815 N GLU A 48 -5.541 -14.738 -0.364 1.00 0.00 N ATOM 816 CA GLU A 48 -6.770 -14.422 0.418 1.00 0.00 C ATOM 817 C GLU A 48 -6.395 -14.190 1.882 1.00 0.00 C ATOM 818 O GLU A 48 -5.580 -14.896 2.444 1.00 0.00 O ATOM 819 CB GLU A 48 -7.752 -15.593 0.321 1.00 0.00 C ATOM 820 CG GLU A 48 -7.106 -16.851 0.906 1.00 0.00 C ATOM 821 CD GLU A 48 -7.952 -18.072 0.544 1.00 0.00 C ATOM 822 OE1 GLU A 48 -9.076 -17.884 0.109 1.00 0.00 O ATOM 823 OE2 GLU A 48 -7.461 -19.177 0.707 1.00 0.00 O ATOM 0 H GLU A 48 -5.310 -15.729 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.237 -13.523 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.669 -15.358 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.029 -15.764 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.094 -16.968 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.023 -16.760 1.989 1.00 0.00 H new ATOM 830 N ALA A 49 -6.982 -13.208 2.506 1.00 0.00 N ATOM 831 CA ALA A 49 -6.659 -12.929 3.933 1.00 0.00 C ATOM 832 C ALA A 49 -7.605 -11.853 4.464 1.00 0.00 C ATOM 833 O ALA A 49 -7.200 -10.943 5.159 1.00 0.00 O ATOM 834 CB ALA A 49 -5.213 -12.442 4.043 1.00 0.00 C ATOM 0 H ALA A 49 -7.673 -12.585 2.089 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.778 -13.840 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.976 -12.238 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.540 -13.210 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.091 -11.530 3.458 1.00 0.00 H new ATOM 840 N GLY A 50 -8.864 -11.947 4.137 1.00 0.00 N ATOM 841 CA GLY A 50 -9.836 -10.929 4.620 1.00 0.00 C ATOM 842 C GLY A 50 -9.683 -9.649 3.797 1.00 0.00 C ATOM 843 O GLY A 50 -8.585 -9.209 3.517 1.00 0.00 O ATOM 0 H GLY A 50 -9.261 -12.685 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.853 -11.311 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.664 -10.718 5.676 1.00 0.00 H new ATOM 847 N VAL A 51 -10.773 -9.050 3.406 1.00 0.00 N ATOM 848 CA VAL A 51 -10.691 -7.800 2.599 1.00 0.00 C ATOM 849 C VAL A 51 -9.822 -6.773 3.327 1.00 0.00 C ATOM 850 O VAL A 51 -9.052 -6.060 2.717 1.00 0.00 O ATOM 851 CB VAL A 51 -12.093 -7.225 2.401 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.961 -8.240 1.655 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.718 -6.924 3.765 1.00 0.00 C ATOM 0 H VAL A 51 -11.719 -9.372 3.611 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.249 -8.028 1.629 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.029 -6.305 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.961 -7.830 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.516 -8.454 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.025 -9.160 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.718 -6.514 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.781 -7.843 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.100 -6.200 4.296 1.00 0.00 H new ATOM 863 N ARG A 52 -9.947 -6.686 4.624 1.00 0.00 N ATOM 864 CA ARG A 52 -9.134 -5.701 5.396 1.00 0.00 C ATOM 865 C ARG A 52 -7.710 -5.644 4.833 1.00 0.00 C ATOM 866 O ARG A 52 -7.221 -4.597 4.459 1.00 0.00 O ATOM 867 CB ARG A 52 -9.080 -6.128 6.865 1.00 0.00 C ATOM 868 CG ARG A 52 -8.450 -5.011 7.713 1.00 0.00 C ATOM 869 CD ARG A 52 -9.552 -4.186 8.382 1.00 0.00 C ATOM 870 NE ARG A 52 -10.167 -4.985 9.480 1.00 0.00 N ATOM 871 CZ ARG A 52 -10.706 -4.385 10.509 1.00 0.00 C ATOM 872 NH1 ARG A 52 -10.717 -3.081 10.577 1.00 0.00 N ATOM 873 NH2 ARG A 52 -11.237 -5.091 11.470 1.00 0.00 N ATOM 0 H ARG A 52 -10.580 -7.257 5.185 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.593 -4.716 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.085 -6.347 7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.498 -7.044 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.795 -5.442 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.832 -4.369 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.138 -3.259 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.310 -3.909 7.650 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.167 -6.004 9.428 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.304 -2.528 9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.138 -2.616 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.231 -6.110 11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.658 -4.624 12.273 1.00 0.00 H new ATOM 887 N SER A 53 -7.044 -6.763 4.771 1.00 0.00 N ATOM 888 CA SER A 53 -5.655 -6.769 4.234 1.00 0.00 C ATOM 889 C SER A 53 -5.663 -6.294 2.784 1.00 0.00 C ATOM 890 O SER A 53 -4.883 -5.450 2.394 1.00 0.00 O ATOM 891 CB SER A 53 -5.088 -8.184 4.299 1.00 0.00 C ATOM 892 OG SER A 53 -5.317 -8.723 5.593 1.00 0.00 O ATOM 0 H SER A 53 -7.400 -7.671 5.068 1.00 0.00 H new ATOM 0 HA SER A 53 -5.036 -6.100 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.559 -8.812 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.020 -8.170 4.082 1.00 0.00 H new ATOM 0 HG SER A 53 -5.943 -9.474 5.528 1.00 0.00 H new ATOM 898 N LEU A 54 -6.538 -6.830 1.981 1.00 0.00 N ATOM 899 CA LEU A 54 -6.591 -6.402 0.556 1.00 0.00 C ATOM 900 C LEU A 54 -6.639 -4.875 0.506 1.00 0.00 C ATOM 901 O LEU A 54 -5.783 -4.232 -0.070 1.00 0.00 O ATOM 902 CB LEU A 54 -7.844 -6.992 -0.111 1.00 0.00 C ATOM 903 CG LEU A 54 -7.505 -7.490 -1.522 1.00 0.00 C ATOM 904 CD1 LEU A 54 -6.880 -8.885 -1.440 1.00 0.00 C ATOM 905 CD2 LEU A 54 -8.783 -7.558 -2.362 1.00 0.00 C ATOM 0 H LEU A 54 -7.216 -7.543 2.248 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.710 -6.758 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.232 -7.814 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.628 -6.237 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.798 -6.801 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.640 -9.236 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.969 -8.841 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.585 -9.573 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.541 -7.912 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.489 -8.245 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.230 -6.566 -2.426 1.00 0.00 H new ATOM 917 N GLU A 55 -7.626 -4.289 1.124 1.00 0.00 N ATOM 918 CA GLU A 55 -7.724 -2.806 1.134 1.00 0.00 C ATOM 919 C GLU A 55 -6.379 -2.224 1.566 1.00 0.00 C ATOM 920 O GLU A 55 -5.930 -1.220 1.049 1.00 0.00 O ATOM 921 CB GLU A 55 -8.816 -2.372 2.116 1.00 0.00 C ATOM 922 CG GLU A 55 -8.809 -0.844 2.259 1.00 0.00 C ATOM 923 CD GLU A 55 -7.768 -0.430 3.302 1.00 0.00 C ATOM 924 OE1 GLU A 55 -7.957 -0.757 4.462 1.00 0.00 O ATOM 925 OE2 GLU A 55 -6.801 0.211 2.923 1.00 0.00 O ATOM 0 H GLU A 55 -8.370 -4.776 1.623 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.977 -2.444 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.791 -2.709 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.651 -2.838 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.581 -0.380 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.797 -0.492 2.557 1.00 0.00 H new ATOM 932 N ARG A 56 -5.728 -2.846 2.514 1.00 0.00 N ATOM 933 CA ARG A 56 -4.411 -2.326 2.977 1.00 0.00 C ATOM 934 C ARG A 56 -3.410 -2.369 1.820 1.00 0.00 C ATOM 935 O ARG A 56 -2.609 -1.473 1.646 1.00 0.00 O ATOM 936 CB ARG A 56 -3.897 -3.191 4.133 1.00 0.00 C ATOM 937 CG ARG A 56 -2.866 -2.402 4.946 1.00 0.00 C ATOM 938 CD ARG A 56 -2.196 -3.328 5.966 1.00 0.00 C ATOM 939 NE ARG A 56 -1.052 -4.032 5.320 1.00 0.00 N ATOM 940 CZ ARG A 56 -0.132 -4.596 6.055 1.00 0.00 C ATOM 941 NH1 ARG A 56 -0.216 -4.543 7.357 1.00 0.00 N ATOM 942 NH2 ARG A 56 0.869 -5.212 5.490 1.00 0.00 N ATOM 0 H ARG A 56 -6.052 -3.690 2.986 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.526 -1.297 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.727 -3.491 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.447 -4.105 3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.116 -1.973 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.351 -1.571 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.846 -2.751 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.917 -4.053 6.344 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.988 -4.073 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.999 -4.062 7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.502 -4.983 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.934 -5.254 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.587 -5.652 6.065 1.00 0.00 H new ATOM 956 N GLN A 57 -3.445 -3.407 1.031 1.00 0.00 N ATOM 957 CA GLN A 57 -2.492 -3.509 -0.112 1.00 0.00 C ATOM 958 C GLN A 57 -2.762 -2.380 -1.112 1.00 0.00 C ATOM 959 O GLN A 57 -1.858 -1.688 -1.539 1.00 0.00 O ATOM 960 CB GLN A 57 -2.674 -4.864 -0.806 1.00 0.00 C ATOM 961 CG GLN A 57 -1.872 -5.939 -0.064 1.00 0.00 C ATOM 962 CD GLN A 57 -2.226 -5.912 1.425 1.00 0.00 C ATOM 963 OE1 GLN A 57 -1.727 -4.976 2.185 1.00 0.00 O flip ATOM 964 NE2 GLN A 57 -2.964 -6.752 1.901 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.092 -4.190 1.128 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.471 -3.423 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.730 -5.134 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.342 -4.800 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.090 -6.922 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.804 -5.766 -0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.354 -7.484 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.193 -6.725 2.895 1.00 0.00 H new ATOM 973 N LEU A 58 -3.998 -2.184 -1.487 1.00 0.00 N ATOM 974 CA LEU A 58 -4.315 -1.096 -2.458 1.00 0.00 C ATOM 975 C LEU A 58 -4.015 0.254 -1.811 1.00 0.00 C ATOM 976 O LEU A 58 -3.489 1.151 -2.434 1.00 0.00 O ATOM 977 CB LEU A 58 -5.794 -1.165 -2.847 1.00 0.00 C ATOM 978 CG LEU A 58 -6.200 -2.626 -3.036 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.630 -2.693 -3.575 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.251 -3.297 -4.031 1.00 0.00 C ATOM 0 H LEU A 58 -4.799 -2.727 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.706 -1.216 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.407 -0.703 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.966 -0.606 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.147 -3.142 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.920 -3.735 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.308 -2.217 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.683 -2.175 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.542 -4.339 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.303 -2.780 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.231 -3.251 -3.649 1.00 0.00 H new ATOM 992 N ALA A 59 -4.329 0.402 -0.558 1.00 0.00 N ATOM 993 CA ALA A 59 -4.037 1.686 0.126 1.00 0.00 C ATOM 994 C ALA A 59 -2.523 1.889 0.132 1.00 0.00 C ATOM 995 O ALA A 59 -2.027 2.988 -0.014 1.00 0.00 O ATOM 996 CB ALA A 59 -4.557 1.636 1.566 1.00 0.00 C ATOM 0 H ALA A 59 -4.775 -0.310 0.021 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.527 2.509 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.340 2.581 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.634 1.469 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.067 0.823 2.102 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.790 0.824 0.308 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.304 0.927 0.336 1.00 0.00 C ATOM 1004 C ALA A 60 0.225 1.443 -1.007 1.00 0.00 C ATOM 1005 O ALA A 60 0.938 2.423 -1.061 1.00 0.00 O ATOM 1006 CB ALA A 60 0.293 -0.453 0.618 1.00 0.00 C ATOM 0 H ALA A 60 -2.159 -0.118 0.434 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.015 1.627 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.380 -0.382 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.066 -0.815 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.010 -1.147 -0.166 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.099 0.787 -2.090 1.00 0.00 N ATOM 1013 CA ILE A 61 0.414 1.249 -3.416 1.00 0.00 C ATOM 1014 C ILE A 61 -0.147 2.637 -3.743 1.00 0.00 C ATOM 1015 O ILE A 61 0.563 3.511 -4.202 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.002 0.254 -4.510 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.874 0.471 -5.753 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.475 0.466 -4.873 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.156 -0.056 -7.000 1.00 0.00 C ATOM 0 H ILE A 61 -0.692 -0.043 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 61 1.502 1.306 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 61 0.130 -0.764 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.095 1.532 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.828 -0.041 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.764 -0.242 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.094 0.309 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.617 1.483 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.785 0.102 -7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.042 -1.122 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.787 0.476 -7.129 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.415 2.844 -3.523 1.00 0.00 N ATOM 1032 CA CYS A 62 -2.022 4.169 -3.835 1.00 0.00 C ATOM 1033 C CYS A 62 -1.241 5.284 -3.133 1.00 0.00 C ATOM 1034 O CYS A 62 -0.670 6.148 -3.769 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.476 4.185 -3.363 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.413 2.914 -4.247 1.00 0.00 S ATOM 0 H CYS A 62 -2.059 2.152 -3.140 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.985 4.335 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.523 4.005 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.916 5.166 -3.541 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.161 1.749 -3.727 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.217 5.282 -1.827 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.481 6.353 -1.097 1.00 0.00 C ATOM 1044 C ARG A 63 1.009 6.272 -1.418 1.00 0.00 C ATOM 1045 O ARG A 63 1.627 7.262 -1.749 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.680 6.182 0.401 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.331 7.489 1.127 1.00 0.00 C ATOM 1048 CD ARG A 63 -1.569 8.388 1.199 1.00 0.00 C ATOM 1049 NE ARG A 63 -1.179 9.724 1.732 1.00 0.00 N ATOM 1050 CZ ARG A 63 -0.869 9.857 2.992 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -0.905 8.821 3.785 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -0.523 11.025 3.460 1.00 0.00 N ATOM 0 H ARG A 63 -1.674 4.587 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.867 7.323 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.713 5.904 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.051 5.372 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.031 7.272 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.474 8.004 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.013 8.494 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.325 7.935 1.840 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.155 10.534 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.175 7.908 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.663 8.924 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.495 11.835 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.281 11.128 4.445 1.00 0.00 H new ATOM 1066 N LYS A 64 1.597 5.104 -1.332 1.00 0.00 N ATOM 1067 CA LYS A 64 3.047 4.989 -1.657 1.00 0.00 C ATOM 1068 C LYS A 64 3.305 5.853 -2.883 1.00 0.00 C ATOM 1069 O LYS A 64 4.301 6.540 -2.989 1.00 0.00 O ATOM 1070 CB LYS A 64 3.402 3.530 -1.962 1.00 0.00 C ATOM 1071 CG LYS A 64 4.886 3.427 -2.348 1.00 0.00 C ATOM 1072 CD LYS A 64 5.493 2.161 -1.735 1.00 0.00 C ATOM 1073 CE LYS A 64 6.948 2.024 -2.185 1.00 0.00 C ATOM 1074 NZ LYS A 64 6.989 1.562 -3.600 1.00 0.00 N ATOM 0 H LYS A 64 1.139 4.236 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 64 3.658 5.317 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.199 2.907 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.778 3.156 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.989 3.402 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.425 4.307 -1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.441 2.210 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.922 1.285 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.461 2.981 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.473 1.315 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.967 1.323 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.387 0.721 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.642 2.319 -4.223 1.00 0.00 H new ATOM 1088 N ALA A 65 2.377 5.838 -3.794 1.00 0.00 N ATOM 1089 CA ALA A 65 2.501 6.670 -5.013 1.00 0.00 C ATOM 1090 C ALA A 65 2.225 8.128 -4.636 1.00 0.00 C ATOM 1091 O ALA A 65 2.848 9.037 -5.146 1.00 0.00 O ATOM 1092 CB ALA A 65 1.485 6.206 -6.059 1.00 0.00 C ATOM 0 H ALA A 65 1.527 5.276 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 65 3.504 6.576 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.579 6.820 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.674 5.163 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.477 6.304 -5.656 1.00 0.00 H new ATOM 1098 N ALA A 66 1.289 8.361 -3.746 1.00 0.00 N ATOM 1099 CA ALA A 66 0.983 9.767 -3.354 1.00 0.00 C ATOM 1100 C ALA A 66 2.216 10.410 -2.714 1.00 0.00 C ATOM 1101 O ALA A 66 2.691 11.438 -3.155 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.173 9.781 -2.352 1.00 0.00 C ATOM 0 H ALA A 66 0.731 7.645 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 66 0.703 10.331 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.395 10.809 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.055 9.332 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.107 9.211 -1.466 1.00 0.00 H new ATOM 1108 N LYS A 67 2.734 9.821 -1.671 1.00 0.00 N ATOM 1109 CA LYS A 67 3.930 10.405 -0.999 1.00 0.00 C ATOM 1110 C LYS A 67 5.123 10.390 -1.960 1.00 0.00 C ATOM 1111 O LYS A 67 5.908 11.317 -2.004 1.00 0.00 O ATOM 1112 CB LYS A 67 4.261 9.586 0.258 1.00 0.00 C ATOM 1113 CG LYS A 67 4.629 10.528 1.409 1.00 0.00 C ATOM 1114 CD LYS A 67 5.043 9.709 2.636 1.00 0.00 C ATOM 1115 CE LYS A 67 6.466 9.170 2.452 1.00 0.00 C ATOM 1116 NZ LYS A 67 7.033 8.807 3.781 1.00 0.00 N ATOM 0 H LYS A 67 2.380 8.960 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 67 3.718 11.435 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.406 8.971 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.088 8.907 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.444 11.185 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.780 11.166 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.993 10.329 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.348 8.882 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.455 8.298 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.092 9.921 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.999 8.441 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.057 9.650 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.440 8.077 4.224 1.00 0.00 H new ATOM 1130 N ALA A 68 5.268 9.346 -2.726 1.00 0.00 N ATOM 1131 CA ALA A 68 6.413 9.271 -3.679 1.00 0.00 C ATOM 1132 C ALA A 68 6.342 10.441 -4.664 1.00 0.00 C ATOM 1133 O ALA A 68 7.143 10.549 -5.571 1.00 0.00 O ATOM 1134 CB ALA A 68 6.347 7.953 -4.452 1.00 0.00 C ATOM 0 H ALA A 68 4.643 8.540 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 68 7.349 9.323 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.183 7.898 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.401 7.118 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.410 7.903 -5.006 1.00 0.00 H new ATOM 1140 N ILE A 69 5.390 11.317 -4.496 1.00 0.00 N ATOM 1141 CA ILE A 69 5.271 12.477 -5.425 1.00 0.00 C ATOM 1142 C ILE A 69 6.553 13.313 -5.373 1.00 0.00 C ATOM 1143 O ILE A 69 6.693 14.293 -6.078 1.00 0.00 O ATOM 1144 CB ILE A 69 4.081 13.343 -5.011 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.947 14.530 -5.980 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.299 13.860 -3.586 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.469 14.778 -6.288 1.00 0.00 C ATOM 0 H ILE A 69 4.689 11.280 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 69 5.119 12.111 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 69 3.168 12.748 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.392 15.423 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.491 14.323 -6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.451 14.478 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.390 13.016 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.212 14.455 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.377 15.619 -6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.038 13.887 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.938 15.004 -5.364 1.00 0.00 H new ATOM 1159 N VAL A 70 7.491 12.936 -4.546 1.00 0.00 N ATOM 1160 CA VAL A 70 8.759 13.715 -4.457 1.00 0.00 C ATOM 1161 C VAL A 70 9.337 13.908 -5.862 1.00 0.00 C ATOM 1162 O VAL A 70 10.250 14.684 -6.067 1.00 0.00 O ATOM 1163 CB VAL A 70 9.768 12.958 -3.591 1.00 0.00 C ATOM 1164 CG1 VAL A 70 9.230 12.831 -2.165 1.00 0.00 C ATOM 1165 CG2 VAL A 70 9.993 11.561 -4.176 1.00 0.00 C ATOM 0 H VAL A 70 7.434 12.125 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 70 8.556 14.687 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 70 10.711 13.504 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.951 12.291 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.069 13.825 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.286 12.286 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.712 11.020 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.048 11.017 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.379 11.650 -5.191 1.00 0.00 H new ATOM 1175 N ALA A 71 8.813 13.209 -6.830 1.00 0.00 N ATOM 1176 CA ALA A 71 9.333 13.351 -8.219 1.00 0.00 C ATOM 1177 C ALA A 71 8.734 14.601 -8.867 1.00 0.00 C ATOM 1178 O ALA A 71 7.662 15.046 -8.506 1.00 0.00 O ATOM 1179 CB ALA A 71 8.943 12.117 -9.037 1.00 0.00 C ATOM 0 H ALA A 71 8.047 12.545 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 71 10.419 13.443 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.323 12.219 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.371 11.226 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.857 12.026 -9.063 1.00 0.00 H new ATOM 1185 N GLU A 72 9.417 15.170 -9.823 1.00 0.00 N ATOM 1186 CA GLU A 72 8.889 16.391 -10.496 1.00 0.00 C ATOM 1187 C GLU A 72 8.021 15.981 -11.688 1.00 0.00 C ATOM 1188 O GLU A 72 8.518 15.648 -12.745 1.00 0.00 O ATOM 1189 CB GLU A 72 10.057 17.248 -10.989 1.00 0.00 C ATOM 1190 CG GLU A 72 11.083 17.410 -9.865 1.00 0.00 C ATOM 1191 CD GLU A 72 10.408 18.037 -8.643 1.00 0.00 C ATOM 1192 OE1 GLU A 72 10.085 19.212 -8.708 1.00 0.00 O ATOM 1193 OE2 GLU A 72 10.224 17.331 -7.665 1.00 0.00 O ATOM 0 H GLU A 72 10.319 14.841 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 72 8.290 16.965 -9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.523 16.781 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.695 18.225 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.506 16.440 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.909 18.038 -10.200 1.00 0.00 H new ATOM 1200 N GLU A 73 6.727 16.003 -11.526 1.00 0.00 N ATOM 1201 CA GLU A 73 5.826 15.616 -12.648 1.00 0.00 C ATOM 1202 C GLU A 73 4.423 16.167 -12.386 1.00 0.00 C ATOM 1203 O GLU A 73 4.084 16.526 -11.275 1.00 0.00 O ATOM 1204 CB GLU A 73 5.772 14.089 -12.752 1.00 0.00 C ATOM 1205 CG GLU A 73 5.819 13.478 -11.350 1.00 0.00 C ATOM 1206 CD GLU A 73 5.623 11.964 -11.447 1.00 0.00 C ATOM 1207 OE1 GLU A 73 5.321 11.494 -12.532 1.00 0.00 O ATOM 1208 OE2 GLU A 73 5.779 11.300 -10.436 1.00 0.00 O ATOM 0 H GLU A 73 6.254 16.273 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 73 6.206 16.028 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.860 13.781 -13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.610 13.725 -13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.775 13.702 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.042 13.917 -10.724 1.00 0.00 H new ATOM 1215 N ARG A 74 3.604 16.239 -13.399 1.00 0.00 N ATOM 1216 CA ARG A 74 2.225 16.770 -13.207 1.00 0.00 C ATOM 1217 C ARG A 74 1.571 16.079 -12.008 1.00 0.00 C ATOM 1218 O ARG A 74 2.044 15.070 -11.524 1.00 0.00 O ATOM 1219 CB ARG A 74 1.395 16.505 -14.467 1.00 0.00 C ATOM 1220 CG ARG A 74 1.729 17.554 -15.532 1.00 0.00 C ATOM 1221 CD ARG A 74 0.876 17.310 -16.780 1.00 0.00 C ATOM 1222 NE ARG A 74 0.758 18.578 -17.555 1.00 0.00 N ATOM 1223 CZ ARG A 74 -0.108 19.486 -17.193 1.00 0.00 C ATOM 1224 NH1 ARG A 74 -0.867 19.284 -16.151 1.00 0.00 N ATOM 1225 NH2 ARG A 74 -0.212 20.594 -17.873 1.00 0.00 N ATOM 0 H ARG A 74 3.830 15.953 -14.352 1.00 0.00 H new ATOM 0 HA ARG A 74 2.273 17.843 -13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.604 15.505 -14.849 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.332 16.540 -14.229 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.543 18.555 -15.142 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.787 17.503 -15.787 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.329 16.534 -17.398 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.113 16.953 -16.494 1.00 0.00 H new ATOM 0 HE ARG A 74 1.354 18.736 -18.368 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.784 18.417 -15.620 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.544 19.993 -15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.383 20.751 -18.687 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.888 21.304 -17.591 1.00 0.00 H new ATOM 1239 N LYS A 75 0.484 16.617 -11.524 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.203 15.995 -10.357 1.00 0.00 C ATOM 1241 C LYS A 75 -1.021 14.791 -10.827 1.00 0.00 C ATOM 1242 O LYS A 75 -0.850 14.303 -11.927 1.00 0.00 O ATOM 1243 CB LYS A 75 -1.136 17.021 -9.707 1.00 0.00 C ATOM 1244 CG LYS A 75 -0.447 18.387 -9.667 1.00 0.00 C ATOM 1245 CD LYS A 75 -1.341 19.390 -8.937 1.00 0.00 C ATOM 1246 CE LYS A 75 -0.842 20.811 -9.207 1.00 0.00 C ATOM 1247 NZ LYS A 75 0.648 20.828 -9.174 1.00 0.00 N ATOM 0 H LYS A 75 0.042 17.461 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 75 0.541 15.668 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.067 17.088 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.396 16.703 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.515 18.306 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.246 18.734 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.373 19.286 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.333 19.188 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.199 21.155 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.241 21.496 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.981 21.801 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.985 20.218 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.019 20.477 -10.080 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.910 14.309 -10.003 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.741 13.139 -10.403 1.00 0.00 C ATOM 1263 C ARG A 76 -1.836 12.023 -10.928 1.00 0.00 C ATOM 1264 O ARG A 76 -1.557 11.937 -12.107 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.722 13.565 -11.499 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.321 14.930 -11.145 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.629 15.133 -11.915 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.523 14.488 -13.253 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.603 14.155 -13.904 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -7.777 14.395 -13.387 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -6.510 13.585 -15.075 1.00 0.00 N ATOM 0 H ARG A 76 -2.097 14.675 -9.069 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.297 12.774 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.210 13.619 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.514 12.824 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.506 14.990 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.615 15.723 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.462 14.704 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.836 16.197 -12.028 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.606 14.307 -13.660 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.850 14.843 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.621 14.135 -13.896 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.593 13.400 -15.481 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.355 13.325 -15.584 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.375 11.164 -10.059 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.488 10.053 -10.507 1.00 0.00 C ATOM 1287 C ILE A 77 -1.324 8.994 -11.230 1.00 0.00 C ATOM 1288 O ILE A 77 -2.280 8.473 -10.692 1.00 0.00 O ATOM 1289 CB ILE A 77 0.196 9.423 -9.295 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.964 10.505 -8.532 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.171 8.341 -9.764 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.498 9.926 -7.221 1.00 0.00 C ATOM 0 H ILE A 77 -1.574 11.184 -9.059 1.00 0.00 H new ATOM 0 HA ILE A 77 0.269 10.445 -11.186 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.554 8.976 -8.643 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.789 10.877 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.311 11.353 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.659 7.891 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.626 7.573 -10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.924 8.787 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.045 10.697 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.665 9.575 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.166 9.092 -7.437 1.00 0.00 H new ATOM 1304 N THR A 78 -0.973 8.673 -12.445 1.00 0.00 N ATOM 1305 CA THR A 78 -1.751 7.650 -13.201 1.00 0.00 C ATOM 1306 C THR A 78 -1.170 6.259 -12.928 1.00 0.00 C ATOM 1307 O THR A 78 0.026 6.057 -12.990 1.00 0.00 O ATOM 1308 CB THR A 78 -1.668 7.952 -14.699 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.848 9.345 -14.910 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.759 7.176 -15.439 1.00 0.00 C ATOM 0 H THR A 78 -0.181 9.075 -12.947 1.00 0.00 H new ATOM 0 HA THR A 78 -2.793 7.677 -12.881 1.00 0.00 H new ATOM 0 HB THR A 78 -0.691 7.650 -15.078 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.793 9.540 -15.869 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.699 7.392 -16.506 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.619 6.107 -15.277 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.737 7.475 -15.063 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.009 5.298 -12.629 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.504 3.919 -12.354 1.00 0.00 C ATOM 1320 C VAL A 79 -1.975 2.972 -13.462 1.00 0.00 C ATOM 1321 O VAL A 79 -3.031 3.148 -14.035 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.049 3.435 -11.009 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.282 2.188 -10.564 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.877 4.539 -9.963 1.00 0.00 C ATOM 0 H VAL A 79 -3.021 5.410 -12.564 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.415 3.932 -12.323 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.107 3.192 -11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.671 1.844 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.404 1.401 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.224 2.429 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.265 4.195 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.819 4.782 -9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.424 5.427 -10.278 1.00 0.00 H new ATOM 1334 N THR A 80 -1.197 1.967 -13.764 1.00 0.00 N ATOM 1335 CA THR A 80 -1.595 1.004 -14.832 1.00 0.00 C ATOM 1336 C THR A 80 -1.162 -0.407 -14.427 1.00 0.00 C ATOM 1337 O THR A 80 -1.064 -0.724 -13.258 1.00 0.00 O ATOM 1338 CB THR A 80 -0.912 1.388 -16.147 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.468 1.060 -16.075 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.070 2.891 -16.386 1.00 0.00 C ATOM 0 H THR A 80 -0.302 1.771 -13.316 1.00 0.00 H new ATOM 0 HA THR A 80 -2.677 1.032 -14.964 1.00 0.00 H new ATOM 0 HB THR A 80 -1.373 0.842 -16.970 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.975 1.844 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.583 3.164 -17.322 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.129 3.141 -16.441 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.610 3.440 -15.565 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.901 -1.258 -15.382 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.474 -2.647 -15.047 1.00 0.00 C ATOM 1350 C GLU A 81 1.054 -2.703 -14.961 1.00 0.00 C ATOM 1351 O GLU A 81 1.611 -3.327 -14.080 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.966 -3.612 -16.129 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.823 -2.955 -17.504 1.00 0.00 C ATOM 1354 CD GLU A 81 -1.093 -3.994 -18.596 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -1.080 -5.173 -18.280 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -1.308 -3.593 -19.727 1.00 0.00 O ATOM 0 H GLU A 81 -0.965 -1.052 -16.379 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.902 -2.937 -14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.391 -4.537 -16.095 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.008 -3.878 -15.948 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.522 -2.124 -17.597 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.179 -2.542 -17.619 1.00 0.00 H new ATOM 1363 N LYS A 82 1.737 -2.053 -15.864 1.00 0.00 N ATOM 1364 CA LYS A 82 3.227 -2.071 -15.820 1.00 0.00 C ATOM 1365 C LYS A 82 3.703 -1.214 -14.647 1.00 0.00 C ATOM 1366 O LYS A 82 4.627 -1.565 -13.941 1.00 0.00 O ATOM 1367 CB LYS A 82 3.786 -1.507 -17.129 1.00 0.00 C ATOM 1368 CG LYS A 82 3.454 -0.016 -17.229 1.00 0.00 C ATOM 1369 CD LYS A 82 3.716 0.472 -18.656 1.00 0.00 C ATOM 1370 CE LYS A 82 3.821 1.999 -18.665 1.00 0.00 C ATOM 1371 NZ LYS A 82 4.177 2.463 -20.035 1.00 0.00 N ATOM 0 H LYS A 82 1.330 -1.512 -16.627 1.00 0.00 H new ATOM 0 HA LYS A 82 3.578 -3.095 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.865 -1.653 -17.168 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.361 -2.042 -17.978 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.411 0.154 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.061 0.551 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.637 0.032 -19.038 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.910 0.149 -19.315 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.875 2.441 -18.354 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.576 2.327 -17.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.249 3.501 -20.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.090 2.051 -20.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.441 2.162 -20.706 1.00 0.00 H new ATOM 1385 N ASN A 83 3.073 -0.091 -14.432 1.00 0.00 N ATOM 1386 CA ASN A 83 3.478 0.791 -13.303 1.00 0.00 C ATOM 1387 C ASN A 83 3.416 0.002 -11.995 1.00 0.00 C ATOM 1388 O ASN A 83 4.254 0.152 -11.129 1.00 0.00 O ATOM 1389 CB ASN A 83 2.531 1.992 -13.230 1.00 0.00 C ATOM 1390 CG ASN A 83 2.896 2.994 -14.328 1.00 0.00 C ATOM 1391 OD1 ASN A 83 2.031 3.256 -15.269 1.00 0.00 O flip ATOM 1392 ND2 ASN A 83 3.979 3.545 -14.328 1.00 0.00 N flip ATOM 0 H ASN A 83 2.293 0.254 -14.992 1.00 0.00 H new ATOM 0 HA ASN A 83 4.496 1.146 -13.462 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.499 1.663 -13.351 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.602 2.466 -12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.655 3.340 -13.592 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.212 4.212 -15.064 1.00 0.00 H new ATOM 1399 N LEU A 84 2.427 -0.841 -11.846 1.00 0.00 N ATOM 1400 CA LEU A 84 2.302 -1.648 -10.601 1.00 0.00 C ATOM 1401 C LEU A 84 3.690 -2.108 -10.149 1.00 0.00 C ATOM 1402 O LEU A 84 4.040 -2.012 -8.991 1.00 0.00 O ATOM 1403 CB LEU A 84 1.413 -2.858 -10.911 1.00 0.00 C ATOM 1404 CG LEU A 84 1.310 -3.805 -9.706 1.00 0.00 C ATOM 1405 CD1 LEU A 84 2.604 -4.620 -9.537 1.00 0.00 C ATOM 1406 CD2 LEU A 84 1.031 -3.005 -8.430 1.00 0.00 C ATOM 0 H LEU A 84 1.697 -1.004 -12.539 1.00 0.00 H new ATOM 0 HA LEU A 84 1.859 -1.057 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.417 -2.516 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.818 -3.399 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 84 0.486 -4.496 -9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.507 -5.283 -8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.780 -5.213 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.443 -3.942 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.960 -3.686 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.842 -2.297 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.092 -2.462 -8.539 1.00 0.00 H new ATOM 1418 N GLN A 85 4.487 -2.598 -11.058 1.00 0.00 N ATOM 1419 CA GLN A 85 5.854 -3.053 -10.679 1.00 0.00 C ATOM 1420 C GLN A 85 6.672 -1.846 -10.211 1.00 0.00 C ATOM 1421 O GLN A 85 7.404 -1.914 -9.245 1.00 0.00 O ATOM 1422 CB GLN A 85 6.535 -3.694 -11.890 1.00 0.00 C ATOM 1423 CG GLN A 85 5.670 -4.841 -12.415 1.00 0.00 C ATOM 1424 CD GLN A 85 6.215 -5.317 -13.764 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.702 -6.424 -13.878 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.154 -4.520 -14.795 1.00 0.00 N ATOM 0 H GLN A 85 4.251 -2.703 -12.045 1.00 0.00 H new ATOM 0 HA GLN A 85 5.787 -3.786 -9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.685 -2.950 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.521 -4.066 -11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.667 -5.665 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.637 -4.511 -12.524 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.745 -3.591 -14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.515 -4.826 -15.698 1.00 0.00 H new ATOM 1435 N ASP A 86 6.550 -0.739 -10.891 1.00 0.00 N ATOM 1436 CA ASP A 86 7.317 0.471 -10.484 1.00 0.00 C ATOM 1437 C ASP A 86 6.996 0.812 -9.027 1.00 0.00 C ATOM 1438 O ASP A 86 7.861 1.199 -8.266 1.00 0.00 O ATOM 1439 CB ASP A 86 6.931 1.650 -11.382 1.00 0.00 C ATOM 1440 CG ASP A 86 7.368 1.362 -12.819 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.351 0.660 -12.988 1.00 0.00 O ATOM 1442 OD2 ASP A 86 6.713 1.849 -13.725 1.00 0.00 O ATOM 0 H ASP A 86 5.953 -0.621 -11.710 1.00 0.00 H new ATOM 0 HA ASP A 86 8.384 0.274 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.854 1.812 -11.344 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.404 2.564 -11.023 1.00 0.00 H new ATOM 1447 N PHE A 87 5.759 0.668 -8.631 1.00 0.00 N ATOM 1448 CA PHE A 87 5.388 0.981 -7.223 1.00 0.00 C ATOM 1449 C PHE A 87 5.765 -0.201 -6.330 1.00 0.00 C ATOM 1450 O PHE A 87 6.665 -0.120 -5.518 1.00 0.00 O ATOM 1451 CB PHE A 87 3.879 1.220 -7.130 1.00 0.00 C ATOM 1452 CG PHE A 87 3.514 2.508 -7.832 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.985 3.731 -7.339 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.698 2.482 -8.973 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.644 4.925 -7.984 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.358 3.678 -9.616 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.831 4.899 -9.122 1.00 0.00 C ATOM 0 H PHE A 87 4.992 0.348 -9.222 1.00 0.00 H new ATOM 0 HA PHE A 87 5.918 1.876 -6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.342 0.386 -7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.574 1.267 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.612 3.753 -6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.333 1.540 -9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.009 5.867 -7.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.730 3.658 -10.494 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.568 5.821 -9.619 1.00 0.00 H new ATOM 1467 N ILE A 88 5.077 -1.299 -6.476 1.00 0.00 N ATOM 1468 CA ILE A 88 5.384 -2.493 -5.642 1.00 0.00 C ATOM 1469 C ILE A 88 6.684 -3.138 -6.136 1.00 0.00 C ATOM 1470 O ILE A 88 7.609 -3.350 -5.377 1.00 0.00 O ATOM 1471 CB ILE A 88 4.211 -3.483 -5.744 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.310 -3.343 -4.509 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.720 -4.924 -5.837 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.928 -3.935 -4.806 1.00 0.00 C ATOM 0 H ILE A 88 4.312 -1.421 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 88 5.517 -2.205 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 88 3.645 -3.253 -6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.760 -3.855 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.215 -2.293 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.872 -5.605 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.348 -5.032 -6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.303 -5.162 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.292 -3.833 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.477 -3.403 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.031 -4.990 -5.059 1.00 0.00 H new ATOM 1486 N GLY A 89 6.762 -3.453 -7.401 1.00 0.00 N ATOM 1487 CA GLY A 89 8.003 -4.086 -7.936 1.00 0.00 C ATOM 1488 C GLY A 89 8.157 -5.488 -7.347 1.00 0.00 C ATOM 1489 O GLY A 89 8.463 -6.434 -8.045 1.00 0.00 O ATOM 0 H GLY A 89 6.022 -3.300 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.956 -4.140 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.872 -3.477 -7.685 1.00 0.00 H new ATOM 1493 N LYS A 90 7.946 -5.632 -6.067 1.00 0.00 N ATOM 1494 CA LYS A 90 8.081 -6.977 -5.438 1.00 0.00 C ATOM 1495 C LYS A 90 6.929 -7.870 -5.904 1.00 0.00 C ATOM 1496 O LYS A 90 5.817 -7.416 -6.091 1.00 0.00 O ATOM 1497 CB LYS A 90 8.038 -6.836 -3.913 1.00 0.00 C ATOM 1498 CG LYS A 90 9.148 -5.885 -3.443 1.00 0.00 C ATOM 1499 CD LYS A 90 10.463 -6.659 -3.260 1.00 0.00 C ATOM 1500 CE LYS A 90 10.526 -7.248 -1.848 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.745 -8.096 -1.719 1.00 0.00 N ATOM 0 H LYS A 90 7.687 -4.878 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 90 9.031 -7.424 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.065 -6.455 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.162 -7.813 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.286 -5.086 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.860 -5.414 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.532 -7.456 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.312 -5.996 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.547 -6.447 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.634 -7.842 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.789 -8.497 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.707 -8.867 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.591 -7.516 -1.891 1.00 0.00 H new ATOM 1515 N ARG A 91 7.184 -9.137 -6.094 1.00 0.00 N ATOM 1516 CA ARG A 91 6.103 -10.057 -6.550 1.00 0.00 C ATOM 1517 C ARG A 91 6.279 -11.424 -5.885 1.00 0.00 C ATOM 1518 O ARG A 91 7.323 -11.732 -5.344 1.00 0.00 O ATOM 1519 CB ARG A 91 6.177 -10.218 -8.069 1.00 0.00 C ATOM 1520 CG ARG A 91 7.598 -10.620 -8.472 1.00 0.00 C ATOM 1521 CD ARG A 91 7.674 -10.775 -9.992 1.00 0.00 C ATOM 1522 NE ARG A 91 7.667 -9.428 -10.629 1.00 0.00 N ATOM 1523 CZ ARG A 91 7.717 -9.321 -11.929 1.00 0.00 C ATOM 1524 NH1 ARG A 91 7.771 -10.394 -12.668 1.00 0.00 N ATOM 1525 NH2 ARG A 91 7.713 -8.141 -12.488 1.00 0.00 N ATOM 0 H ARG A 91 8.095 -9.574 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 91 5.134 -9.641 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.466 -10.975 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.899 -9.284 -8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.309 -9.865 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.874 -11.556 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.579 -11.315 -10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.830 -11.363 -10.351 1.00 0.00 H new ATOM 0 HE ARG A 91 7.623 -8.590 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.774 -11.315 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.810 -10.312 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.671 -7.302 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.752 -8.058 -13.504 1.00 0.00 H new ATOM 1539 N ILE A 92 5.262 -12.245 -5.921 1.00 0.00 N ATOM 1540 CA ILE A 92 5.357 -13.597 -5.293 1.00 0.00 C ATOM 1541 C ILE A 92 4.853 -14.651 -6.280 1.00 0.00 C ATOM 1542 O ILE A 92 5.471 -15.678 -6.477 1.00 0.00 O ATOM 1543 CB ILE A 92 4.495 -13.633 -4.029 1.00 0.00 C ATOM 1544 CG1 ILE A 92 5.060 -12.652 -2.999 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.507 -15.047 -3.446 1.00 0.00 C ATOM 1546 CD1 ILE A 92 4.051 -12.469 -1.864 1.00 0.00 C ATOM 0 H ILE A 92 4.365 -12.036 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 92 6.395 -13.806 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 92 3.472 -13.350 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.004 -13.026 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.270 -11.693 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.893 -15.074 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.106 -15.746 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.530 -15.329 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.452 -11.771 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.118 -12.076 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.863 -13.430 -1.386 1.00 0.00 H new ATOM 1558 N PHE A 93 3.733 -14.405 -6.903 1.00 0.00 N ATOM 1559 CA PHE A 93 3.187 -15.393 -7.877 1.00 0.00 C ATOM 1560 C PHE A 93 3.881 -15.214 -9.230 1.00 0.00 C ATOM 1561 O PHE A 93 4.402 -14.160 -9.534 1.00 0.00 O ATOM 1562 CB PHE A 93 1.684 -15.168 -8.039 1.00 0.00 C ATOM 1563 CG PHE A 93 0.985 -15.478 -6.737 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.079 -14.586 -5.662 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.243 -16.658 -6.604 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.431 -14.874 -4.454 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.404 -16.945 -5.397 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.310 -16.053 -4.322 1.00 0.00 C ATOM 0 H PHE A 93 3.172 -13.562 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 93 3.366 -16.404 -7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.489 -14.136 -8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.294 -15.804 -8.834 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.651 -13.676 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.170 -17.346 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.503 -14.186 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.976 -17.855 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.810 -16.275 -3.391 1.00 0.00 H new ATOM 1578 N ARG A 94 3.890 -16.239 -10.043 1.00 0.00 N ATOM 1579 CA ARG A 94 4.550 -16.134 -11.379 1.00 0.00 C ATOM 1580 C ARG A 94 3.483 -16.068 -12.471 1.00 0.00 C ATOM 1581 O ARG A 94 3.369 -16.951 -13.298 1.00 0.00 O ATOM 1582 CB ARG A 94 5.436 -17.361 -11.613 1.00 0.00 C ATOM 1583 CG ARG A 94 6.353 -17.581 -10.405 1.00 0.00 C ATOM 1584 CD ARG A 94 7.433 -16.497 -10.367 1.00 0.00 C ATOM 1585 NE ARG A 94 8.528 -16.924 -9.448 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.742 -16.471 -9.616 1.00 0.00 C ATOM 1587 NH1 ARG A 94 9.999 -15.630 -10.580 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.697 -16.858 -8.816 1.00 0.00 N ATOM 0 H ARG A 94 3.468 -17.145 -9.839 1.00 0.00 H new ATOM 0 HA ARG A 94 5.161 -15.232 -11.408 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.816 -18.243 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.034 -17.222 -12.514 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.769 -17.557 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.816 -18.566 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.829 -16.326 -11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.006 -15.553 -10.028 1.00 0.00 H new ATOM 0 HE ARG A 94 8.328 -17.572 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.252 -15.325 -11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.947 -15.277 -10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.495 -17.513 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.645 -16.505 -8.946 1.00 0.00 H new ATOM 1602 N TYR A 95 2.702 -15.024 -12.483 1.00 0.00 N ATOM 1603 CA TYR A 95 1.641 -14.891 -13.523 1.00 0.00 C ATOM 1604 C TYR A 95 0.679 -16.081 -13.436 1.00 0.00 C ATOM 1605 O TYR A 95 -0.427 -15.959 -12.947 1.00 0.00 O ATOM 1606 CB TYR A 95 2.294 -14.846 -14.911 1.00 0.00 C ATOM 1607 CG TYR A 95 1.407 -14.082 -15.868 1.00 0.00 C ATOM 1608 CD1 TYR A 95 1.466 -12.684 -15.910 1.00 0.00 C ATOM 1609 CD2 TYR A 95 0.528 -14.771 -16.712 1.00 0.00 C ATOM 1610 CE1 TYR A 95 0.645 -11.975 -16.795 1.00 0.00 C ATOM 1611 CE2 TYR A 95 -0.293 -14.062 -17.598 1.00 0.00 C ATOM 1612 CZ TYR A 95 -0.234 -12.664 -17.639 1.00 0.00 C ATOM 1613 OH TYR A 95 -1.043 -11.964 -18.511 1.00 0.00 O ATOM 0 H TYR A 95 2.752 -14.254 -11.816 1.00 0.00 H new ATOM 0 HA TYR A 95 1.081 -13.971 -13.357 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.272 -14.369 -14.848 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.456 -15.859 -15.280 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.145 -12.152 -15.260 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.483 -15.850 -16.680 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.690 -10.896 -16.827 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.971 -14.594 -18.249 1.00 0.00 H new ATOM 0 HH TYR A 95 -1.591 -12.593 -19.025 1.00 0.00 H new TER 1623 TYR A 95