USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 693 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 94 SER OG : rot 175:sc= -0.0249 USER MOD Set 1.2: A 98 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.1!) USER MOD Set 2.1: A 58 CYS SG : rot 89:sc= -2.37! USER MOD Set 2.2: A 74 SER OG : rot 58:sc=0.000623 USER MOD Set 3.1: A 57 THR OG1 : rot -38:sc= 0.215 USER MOD Set 3.2: A 75 HIS : no HD1:sc= -1.06 K(o=-0.85,f=-0.24) USER MOD Set 4.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0105) USER MOD Set 5.2: A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.244) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0764 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0.562 (180deg=-0.175) USER MOD Single : A 28 GLN : amide:sc= -0.789 K(o=-0.79,f=-4.5!) USER MOD Single : A 32 CYS SG : rot -160:sc= -1.37 USER MOD Single : A 33 SER OG : rot -77:sc= -0.931 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 36 ASN : amide:sc= -1.17 X(o=-1.2,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.15! C(o=-4.2!,f=-3.3!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.97! C(o=-7!,f=-11!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 81:sc= 0.316 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.00049 X(o=0.00049,f=-0.035) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 97 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 99 SER OG : rot 170:sc= -0.666 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.563 -3.291 2.587 1.00 0.00 N ATOM 67 CA TYR A 8 -13.033 -4.276 3.523 1.00 0.00 C ATOM 68 C TYR A 8 -12.321 -3.594 4.687 1.00 0.00 C ATOM 69 O TYR A 8 -12.637 -3.836 5.851 1.00 0.00 O ATOM 70 CB TYR A 8 -12.070 -5.225 2.807 1.00 0.00 C ATOM 71 CG TYR A 8 -12.751 -6.427 2.192 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.495 -6.308 1.025 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.648 -7.683 2.778 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.119 -7.403 0.460 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.268 -8.785 2.219 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.002 -8.639 1.061 1.00 0.00 C ATOM 77 OH TYR A 8 -14.621 -9.733 0.500 1.00 0.00 O ATOM 0 HA TYR A 8 -13.871 -4.850 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.545 -4.675 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.317 -5.568 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.587 -5.342 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.074 -7.800 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.695 -7.292 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.178 -9.754 2.687 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.439 -10.527 1.045 1.00 0.00 H new ATOM 87 N GLY A 9 -11.356 -2.739 4.363 1.00 0.00 N ATOM 88 CA GLY A 9 -10.613 -2.034 5.391 1.00 0.00 C ATOM 89 C GLY A 9 -9.185 -1.739 4.975 1.00 0.00 C ATOM 90 O GLY A 9 -8.596 -2.478 4.187 1.00 0.00 O ATOM 0 H GLY A 9 -11.075 -2.522 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.121 -1.098 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.607 -2.630 6.304 1.00 0.00 H new ATOM 94 N SER A 10 -8.628 -0.655 5.506 1.00 0.00 N ATOM 95 CA SER A 10 -7.262 -0.261 5.182 1.00 0.00 C ATOM 96 C SER A 10 -6.256 -1.060 6.005 1.00 0.00 C ATOM 97 O SER A 10 -5.120 -1.270 5.582 1.00 0.00 O ATOM 98 CB SER A 10 -7.068 1.236 5.430 1.00 0.00 C ATOM 99 OG SER A 10 -8.226 1.967 5.068 1.00 0.00 O ATOM 0 H SER A 10 -9.102 -0.034 6.162 1.00 0.00 H new ATOM 0 HA SER A 10 -7.090 -0.472 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.840 1.407 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.213 1.595 4.857 1.00 0.00 H new ATOM 0 HG SER A 10 -8.077 2.921 5.238 1.00 0.00 H new ATOM 105 N GLU A 11 -6.684 -1.503 7.183 1.00 0.00 N ATOM 106 CA GLU A 11 -5.821 -2.278 8.067 1.00 0.00 C ATOM 107 C GLU A 11 -6.249 -3.742 8.099 1.00 0.00 C ATOM 108 O GLU A 11 -7.438 -4.052 8.169 1.00 0.00 O ATOM 109 CB GLU A 11 -5.848 -1.696 9.482 1.00 0.00 C ATOM 110 CG GLU A 11 -5.472 -0.225 9.542 1.00 0.00 C ATOM 111 CD GLU A 11 -5.857 0.421 10.859 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.116 -0.320 11.830 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.898 1.668 10.919 1.00 0.00 O ATOM 0 H GLU A 11 -7.623 -1.339 7.547 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.804 -2.223 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.847 -1.824 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.163 -2.263 10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.397 -0.122 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.961 0.305 8.725 1.00 0.00 H new ATOM 120 N LYS A 12 -5.271 -4.640 8.046 1.00 0.00 N ATOM 121 CA LYS A 12 -5.543 -6.072 8.069 1.00 0.00 C ATOM 122 C LYS A 12 -4.318 -6.852 8.534 1.00 0.00 C ATOM 123 O LYS A 12 -3.215 -6.658 8.022 1.00 0.00 O ATOM 124 CB LYS A 12 -5.971 -6.553 6.681 1.00 0.00 C ATOM 125 CG LYS A 12 -6.183 -8.055 6.596 1.00 0.00 C ATOM 126 CD LYS A 12 -6.349 -8.514 5.157 1.00 0.00 C ATOM 127 CE LYS A 12 -6.292 -10.030 5.047 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.536 -10.670 5.559 1.00 0.00 N ATOM 0 H LYS A 12 -4.281 -4.401 7.987 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.354 -6.251 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.895 -6.048 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.213 -6.260 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.335 -8.569 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.066 -8.332 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.301 -8.155 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.566 -8.073 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.140 -10.313 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.435 -10.403 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.458 -11.703 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.668 -10.421 6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.351 -10.334 5.008 1.00 0.00 H new ATOM 142 N LYS A 13 -4.518 -7.735 9.506 1.00 0.00 N ATOM 143 CA LYS A 13 -3.430 -8.546 10.039 1.00 0.00 C ATOM 144 C LYS A 13 -3.704 -10.031 9.825 1.00 0.00 C ATOM 145 O LYS A 13 -4.728 -10.553 10.265 1.00 0.00 O ATOM 146 CB LYS A 13 -3.237 -8.262 11.530 1.00 0.00 C ATOM 147 CG LYS A 13 -1.832 -8.556 12.029 1.00 0.00 C ATOM 148 CD LYS A 13 -1.516 -7.778 13.295 1.00 0.00 C ATOM 149 CE LYS A 13 -2.372 -8.243 14.463 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.920 -9.559 14.992 1.00 0.00 N ATOM 0 H LYS A 13 -5.424 -7.907 9.941 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.518 -8.282 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.471 -7.215 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.948 -8.860 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.729 -9.624 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.109 -8.301 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.462 -7.899 13.544 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.682 -6.715 13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.335 -7.499 15.259 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.412 -8.317 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.473 -9.801 15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.059 -10.291 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.912 -9.505 15.241 1.00 0.00 H new ATOM 164 N GLY A 14 -2.781 -10.708 9.147 1.00 0.00 N ATOM 165 CA GLY A 14 -2.942 -12.126 8.888 1.00 0.00 C ATOM 166 C GLY A 14 -1.653 -12.783 8.437 1.00 0.00 C ATOM 167 O GLY A 14 -0.572 -12.436 8.913 1.00 0.00 O ATOM 0 H GLY A 14 -1.925 -10.299 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.300 -12.619 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.706 -12.268 8.123 1.00 0.00 H new ATOM 171 N TYR A 15 -1.766 -13.736 7.519 1.00 0.00 N ATOM 172 CA TYR A 15 -0.600 -14.447 7.006 1.00 0.00 C ATOM 173 C TYR A 15 -0.706 -14.650 5.498 1.00 0.00 C ATOM 174 O TYR A 15 -1.786 -14.916 4.969 1.00 0.00 O ATOM 175 CB TYR A 15 -0.453 -15.799 7.706 1.00 0.00 C ATOM 176 CG TYR A 15 0.178 -15.706 9.077 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.506 -15.129 10.140 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.458 -16.194 9.309 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.066 -15.041 11.394 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.037 -16.112 10.560 1.00 0.00 C ATOM 181 CZ TYR A 15 1.338 -15.534 11.599 1.00 0.00 C ATOM 182 OH TYR A 15 1.913 -15.450 12.847 1.00 0.00 O ATOM 0 H TYR A 15 -2.653 -14.035 7.114 1.00 0.00 H new ATOM 0 HA TYR A 15 0.283 -13.842 7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.437 -16.260 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.150 -16.458 7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.502 -14.743 9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.009 -16.645 8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.479 -14.589 12.209 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.032 -16.498 10.724 1.00 0.00 H new ATOM 0 HH TYR A 15 2.810 -15.844 12.821 1.00 0.00 H new ATOM 192 N LEU A 16 0.423 -14.524 4.810 1.00 0.00 N ATOM 193 CA LEU A 16 0.461 -14.694 3.362 1.00 0.00 C ATOM 194 C LEU A 16 1.663 -15.535 2.943 1.00 0.00 C ATOM 195 O LEU A 16 2.576 -15.770 3.736 1.00 0.00 O ATOM 196 CB LEU A 16 0.511 -13.332 2.669 1.00 0.00 C ATOM 197 CG LEU A 16 -0.840 -12.703 2.326 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.656 -11.274 1.840 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.565 -13.536 1.279 1.00 0.00 C ATOM 0 H LEU A 16 1.325 -14.304 5.232 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.447 -15.215 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.059 -12.641 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.085 -13.436 1.748 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.449 -12.681 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.628 -10.843 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.179 -10.682 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.028 -11.271 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.524 -13.074 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.960 -13.590 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.731 -14.542 1.665 1.00 0.00 H new ATOM 211 N LEU A 17 1.658 -15.983 1.693 1.00 0.00 N ATOM 212 CA LEU A 17 2.749 -16.796 1.167 1.00 0.00 C ATOM 213 C LEU A 17 3.711 -15.947 0.341 1.00 0.00 C ATOM 214 O LEU A 17 3.350 -14.876 -0.146 1.00 0.00 O ATOM 215 CB LEU A 17 2.196 -17.937 0.312 1.00 0.00 C ATOM 216 CG LEU A 17 1.161 -18.839 0.986 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.684 -19.915 0.024 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.740 -19.466 2.246 1.00 0.00 C ATOM 0 H LEU A 17 0.911 -15.797 1.024 1.00 0.00 H new ATOM 0 HA LEU A 17 3.296 -17.216 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.747 -17.508 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.031 -18.557 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 17 0.304 -18.228 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.052 -20.547 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.230 -19.447 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.532 -20.524 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.990 -20.105 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.614 -20.063 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.031 -18.680 2.943 1.00 0.00 H new ATOM 230 N LYS A 18 4.938 -16.434 0.186 1.00 0.00 N ATOM 231 CA LYS A 18 5.952 -15.724 -0.584 1.00 0.00 C ATOM 232 C LYS A 18 6.817 -16.699 -1.375 1.00 0.00 C ATOM 233 O LYS A 18 7.278 -17.709 -0.843 1.00 0.00 O ATOM 234 CB LYS A 18 6.831 -14.884 0.345 1.00 0.00 C ATOM 235 CG LYS A 18 7.710 -13.885 -0.388 1.00 0.00 C ATOM 236 CD LYS A 18 8.262 -12.830 0.556 1.00 0.00 C ATOM 237 CE LYS A 18 8.977 -11.723 -0.203 1.00 0.00 C ATOM 238 NZ LYS A 18 10.067 -11.110 0.606 1.00 0.00 N ATOM 0 H LYS A 18 5.254 -17.318 0.584 1.00 0.00 H new ATOM 0 HA LYS A 18 5.443 -15.065 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.193 -14.347 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.464 -15.549 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.534 -14.410 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.134 -13.402 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.448 -12.404 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.953 -13.295 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.393 -12.126 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.258 -10.954 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.530 -10.360 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.667 -10.703 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.766 -11.838 0.855 1.00 0.00 H new ATOM 252 N LYS A 19 7.035 -16.391 -2.649 1.00 0.00 N ATOM 253 CA LYS A 19 7.848 -17.238 -3.513 1.00 0.00 C ATOM 254 C LYS A 19 9.324 -16.869 -3.406 1.00 0.00 C ATOM 255 O LYS A 19 9.761 -15.855 -3.950 1.00 0.00 O ATOM 256 CB LYS A 19 7.384 -17.113 -4.966 1.00 0.00 C ATOM 257 CG LYS A 19 8.024 -18.127 -5.899 1.00 0.00 C ATOM 258 CD LYS A 19 7.680 -17.843 -7.351 1.00 0.00 C ATOM 259 CE LYS A 19 6.276 -18.317 -7.695 1.00 0.00 C ATOM 260 NZ LYS A 19 6.195 -19.802 -7.773 1.00 0.00 N ATOM 0 H LYS A 19 6.659 -15.560 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 19 7.726 -18.271 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.301 -17.230 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.609 -16.109 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.106 -18.109 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.688 -19.130 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.761 -16.773 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.402 -18.338 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.576 -17.954 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.971 -17.886 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.644 -20.076 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.154 -20.199 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.731 -20.170 -6.918 1.00 0.00 H new ATOM 385 N TRP A 27 7.146 -21.673 -2.295 1.00 0.00 N ATOM 386 CA TRP A 27 6.184 -20.880 -1.538 1.00 0.00 C ATOM 387 C TRP A 27 6.312 -21.152 -0.043 1.00 0.00 C ATOM 388 O TRP A 27 6.071 -22.268 0.416 1.00 0.00 O ATOM 389 CB TRP A 27 4.760 -21.186 -2.004 1.00 0.00 C ATOM 390 CG TRP A 27 4.452 -20.644 -3.367 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.510 -21.322 -4.551 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.040 -19.311 -3.686 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.159 -20.490 -5.587 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.865 -19.251 -5.082 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.799 -18.162 -2.927 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.463 -18.088 -5.733 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.400 -17.008 -3.575 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.234 -16.978 -4.966 1.00 0.00 C ATOM 0 HA TRP A 27 6.398 -19.826 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.611 -22.266 -2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.053 -20.769 -1.287 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.790 -22.359 -4.658 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.123 -20.752 -6.572 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.922 -18.176 -1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.336 -18.063 -6.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.213 -16.114 -2.999 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.919 -16.061 -5.442 1.00 0.00 H new ATOM 409 N GLN A 28 6.693 -20.125 0.710 1.00 0.00 N ATOM 410 CA GLN A 28 6.853 -20.255 2.154 1.00 0.00 C ATOM 411 C GLN A 28 5.850 -19.376 2.894 1.00 0.00 C ATOM 412 O GLN A 28 5.519 -18.280 2.443 1.00 0.00 O ATOM 413 CB GLN A 28 8.278 -19.881 2.566 1.00 0.00 C ATOM 414 CG GLN A 28 9.338 -20.816 2.007 1.00 0.00 C ATOM 415 CD GLN A 28 10.629 -20.777 2.801 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.623 -20.920 4.024 1.00 0.00 O ATOM 417 NE2 GLN A 28 11.745 -20.584 2.109 1.00 0.00 N ATOM 0 H GLN A 28 6.896 -19.195 0.345 1.00 0.00 H new ATOM 0 HA GLN A 28 6.665 -21.294 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.489 -18.865 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.344 -19.879 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.951 -21.835 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.545 -20.547 0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.704 -20.470 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.644 -20.549 2.590 1.00 0.00 H new ATOM 426 N ARG A 29 5.369 -19.866 4.032 1.00 0.00 N ATOM 427 CA ARG A 29 4.403 -19.125 4.834 1.00 0.00 C ATOM 428 C ARG A 29 5.103 -18.101 5.721 1.00 0.00 C ATOM 429 O ARG A 29 6.147 -18.384 6.309 1.00 0.00 O ATOM 430 CB ARG A 29 3.581 -20.086 5.696 1.00 0.00 C ATOM 431 CG ARG A 29 3.124 -19.482 7.014 1.00 0.00 C ATOM 432 CD ARG A 29 2.463 -20.522 7.904 1.00 0.00 C ATOM 433 NE ARG A 29 2.990 -21.863 7.664 1.00 0.00 N ATOM 434 CZ ARG A 29 2.547 -22.665 6.702 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.575 -22.264 5.895 1.00 0.00 N ATOM 436 NH2 ARG A 29 3.078 -23.871 6.546 1.00 0.00 N ATOM 0 H ARG A 29 5.632 -20.772 4.419 1.00 0.00 H new ATOM 0 HA ARG A 29 3.736 -18.594 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.706 -20.410 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.176 -20.976 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.979 -19.048 7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.424 -18.670 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.616 -20.254 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.387 -20.519 7.728 1.00 0.00 H new ATOM 0 HE ARG A 29 3.739 -22.202 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.165 -21.337 6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.237 -22.882 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.827 -24.183 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.738 -24.486 5.807 1.00 0.00 H new ATOM 450 N ARG A 30 4.522 -16.909 5.812 1.00 0.00 N ATOM 451 CA ARG A 30 5.092 -15.841 6.626 1.00 0.00 C ATOM 452 C ARG A 30 3.993 -14.959 7.211 1.00 0.00 C ATOM 453 O ARG A 30 2.896 -14.867 6.660 1.00 0.00 O ATOM 454 CB ARG A 30 6.052 -14.992 5.792 1.00 0.00 C ATOM 455 CG ARG A 30 7.142 -15.801 5.107 1.00 0.00 C ATOM 456 CD ARG A 30 8.228 -16.215 6.088 1.00 0.00 C ATOM 457 NE ARG A 30 9.093 -17.256 5.540 1.00 0.00 N ATOM 458 CZ ARG A 30 9.813 -18.084 6.289 1.00 0.00 C ATOM 459 NH1 ARG A 30 9.771 -17.992 7.611 1.00 0.00 N ATOM 460 NH2 ARG A 30 10.576 -19.005 5.716 1.00 0.00 N ATOM 0 H ARG A 30 3.657 -16.658 5.332 1.00 0.00 H new ATOM 0 HA ARG A 30 5.643 -16.299 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.483 -14.452 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.516 -14.245 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.705 -16.689 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.582 -15.212 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.830 -15.345 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.767 -16.574 7.008 1.00 0.00 H new ATOM 0 HE ARG A 30 9.147 -17.353 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.185 -17.285 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.324 -18.629 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.610 -19.078 4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.128 -19.640 6.292 1.00 0.00 H new ATOM 474 N LYS A 31 4.295 -14.312 8.332 1.00 0.00 N ATOM 475 CA LYS A 31 3.335 -13.436 8.993 1.00 0.00 C ATOM 476 C LYS A 31 3.339 -12.048 8.360 1.00 0.00 C ATOM 477 O LYS A 31 4.353 -11.349 8.380 1.00 0.00 O ATOM 478 CB LYS A 31 3.655 -13.328 10.485 1.00 0.00 C ATOM 479 CG LYS A 31 2.542 -12.694 11.302 1.00 0.00 C ATOM 480 CD LYS A 31 2.701 -11.186 11.385 1.00 0.00 C ATOM 481 CE LYS A 31 2.015 -10.620 12.618 1.00 0.00 C ATOM 482 NZ LYS A 31 0.642 -11.170 12.791 1.00 0.00 N ATOM 0 H LYS A 31 5.198 -14.378 8.802 1.00 0.00 H new ATOM 0 HA LYS A 31 2.342 -13.869 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.860 -14.324 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.566 -12.742 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.578 -12.935 10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.541 -13.117 12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.761 -10.932 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.282 -10.725 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.611 -10.847 13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.964 -9.534 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.130 -10.608 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.135 -11.129 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.701 -12.158 13.110 1.00 0.00 H new ATOM 496 N CYS A 32 2.200 -11.655 7.800 1.00 0.00 N ATOM 497 CA CYS A 32 2.072 -10.350 7.162 1.00 0.00 C ATOM 498 C CYS A 32 1.281 -9.389 8.043 1.00 0.00 C ATOM 499 O CYS A 32 0.515 -9.812 8.908 1.00 0.00 O ATOM 500 CB CYS A 32 1.392 -10.490 5.799 1.00 0.00 C ATOM 501 SG CYS A 32 2.530 -10.829 4.437 1.00 0.00 S ATOM 0 H CYS A 32 1.352 -12.222 7.775 1.00 0.00 H new ATOM 0 HA CYS A 32 3.073 -9.943 7.020 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.657 -11.293 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.846 -9.572 5.582 1.00 0.00 H new ATOM 0 HG CYS A 32 1.962 -10.520 3.309 1.00 0.00 H new ATOM 507 N SER A 33 1.473 -8.093 7.817 1.00 0.00 N ATOM 508 CA SER A 33 0.781 -7.071 8.594 1.00 0.00 C ATOM 509 C SER A 33 0.726 -5.752 7.830 1.00 0.00 C ATOM 510 O SER A 33 1.735 -5.286 7.300 1.00 0.00 O ATOM 511 CB SER A 33 1.479 -6.865 9.940 1.00 0.00 C ATOM 512 OG SER A 33 2.839 -6.509 9.761 1.00 0.00 O ATOM 0 H SER A 33 2.102 -7.726 7.103 1.00 0.00 H new ATOM 0 HA SER A 33 -0.239 -7.412 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.967 -6.085 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.414 -7.779 10.530 1.00 0.00 H new ATOM 0 HG SER A 33 3.358 -7.307 9.529 1.00 0.00 H new ATOM 518 N VAL A 34 -0.460 -5.155 7.777 1.00 0.00 N ATOM 519 CA VAL A 34 -0.649 -3.889 7.079 1.00 0.00 C ATOM 520 C VAL A 34 -1.247 -2.835 8.004 1.00 0.00 C ATOM 521 O VAL A 34 -2.366 -2.985 8.493 1.00 0.00 O ATOM 522 CB VAL A 34 -1.563 -4.056 5.851 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.185 -2.724 5.463 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.785 -4.650 4.686 1.00 0.00 C ATOM 0 H VAL A 34 -1.305 -5.528 8.209 1.00 0.00 H new ATOM 0 HA VAL A 34 0.336 -3.561 6.748 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.368 -4.744 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.827 -2.862 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.777 -2.343 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.397 -2.011 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.446 -4.761 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.041 -3.989 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.392 -5.626 4.971 1.00 0.00 H new ATOM 534 N LYS A 35 -0.493 -1.767 8.240 1.00 0.00 N ATOM 535 CA LYS A 35 -0.948 -0.685 9.105 1.00 0.00 C ATOM 536 C LYS A 35 -0.269 0.630 8.735 1.00 0.00 C ATOM 537 O LYS A 35 0.944 0.678 8.532 1.00 0.00 O ATOM 538 CB LYS A 35 -0.664 -1.022 10.570 1.00 0.00 C ATOM 539 CG LYS A 35 -0.884 0.145 11.517 1.00 0.00 C ATOM 540 CD LYS A 35 -0.371 -0.165 12.914 1.00 0.00 C ATOM 541 CE LYS A 35 -0.307 1.087 13.775 1.00 0.00 C ATOM 542 NZ LYS A 35 -1.653 1.691 13.977 1.00 0.00 N ATOM 0 H LYS A 35 0.437 -1.627 7.844 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.023 -0.571 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.303 -1.851 10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.367 -1.364 10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.377 1.029 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.947 0.382 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.022 -0.900 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.620 -0.613 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.129 0.840 14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.352 1.817 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.571 2.522 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.045 1.981 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.285 0.992 14.417 1.00 0.00 H new ATOM 556 N ASN A 36 -1.059 1.696 8.649 1.00 0.00 N ATOM 557 CA ASN A 36 -0.533 3.011 8.304 1.00 0.00 C ATOM 558 C ASN A 36 0.076 3.004 6.906 1.00 0.00 C ATOM 559 O ASN A 36 1.024 3.736 6.626 1.00 0.00 O ATOM 560 CB ASN A 36 0.516 3.449 9.328 1.00 0.00 C ATOM 561 CG ASN A 36 -0.106 3.967 10.609 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.096 4.699 10.580 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.473 3.590 11.743 1.00 0.00 N ATOM 0 H ASN A 36 -2.065 1.674 8.814 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.361 3.720 8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.168 2.606 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.143 4.227 8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.099 3.908 12.637 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.292 2.982 11.720 1.00 0.00 H new ATOM 570 N GLY A 37 -0.477 2.171 6.029 1.00 0.00 N ATOM 571 CA GLY A 37 0.024 2.084 4.670 1.00 0.00 C ATOM 572 C GLY A 37 1.405 1.462 4.600 1.00 0.00 C ATOM 573 O GLY A 37 2.234 1.867 3.785 1.00 0.00 O ATOM 0 H GLY A 37 -1.263 1.555 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.668 1.494 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.056 3.082 4.233 1.00 0.00 H new ATOM 577 N ILE A 38 1.653 0.478 5.457 1.00 0.00 N ATOM 578 CA ILE A 38 2.944 -0.199 5.489 1.00 0.00 C ATOM 579 C ILE A 38 2.769 -1.710 5.598 1.00 0.00 C ATOM 580 O ILE A 38 2.032 -2.201 6.455 1.00 0.00 O ATOM 581 CB ILE A 38 3.809 0.293 6.665 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.829 1.822 6.707 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.222 -0.258 6.549 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.506 2.451 5.509 1.00 0.00 C ATOM 0 H ILE A 38 0.978 0.132 6.138 1.00 0.00 H new ATOM 0 HA ILE A 38 3.449 0.040 4.553 1.00 0.00 H new ATOM 0 HB ILE A 38 3.373 -0.071 7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.805 2.189 6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.339 2.146 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.821 0.098 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.190 -1.347 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.669 0.080 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.483 3.536 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.541 2.113 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.982 2.157 4.599 1.00 0.00 H new ATOM 596 N LEU A 39 3.453 -2.444 4.727 1.00 0.00 N ATOM 597 CA LEU A 39 3.376 -3.900 4.726 1.00 0.00 C ATOM 598 C LEU A 39 4.655 -4.514 5.286 1.00 0.00 C ATOM 599 O LEU A 39 5.673 -4.591 4.597 1.00 0.00 O ATOM 600 CB LEU A 39 3.127 -4.417 3.308 1.00 0.00 C ATOM 601 CG LEU A 39 3.370 -5.910 3.085 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.434 -6.738 3.950 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.196 -6.265 1.616 1.00 0.00 C ATOM 0 H LEU A 39 4.067 -2.054 4.012 1.00 0.00 H new ATOM 0 HA LEU A 39 2.544 -4.195 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.095 -4.193 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.765 -3.859 2.622 1.00 0.00 H new ATOM 0 HG LEU A 39 4.396 -6.139 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.622 -7.798 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.608 -6.505 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.400 -6.506 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.373 -7.331 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.182 -6.021 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.909 -5.697 1.018 1.00 0.00 H new ATOM 615 N THR A 40 4.596 -4.952 6.540 1.00 0.00 N ATOM 616 CA THR A 40 5.749 -5.560 7.192 1.00 0.00 C ATOM 617 C THR A 40 5.805 -7.059 6.924 1.00 0.00 C ATOM 618 O THR A 40 4.771 -7.722 6.836 1.00 0.00 O ATOM 619 CB THR A 40 5.723 -5.322 8.714 1.00 0.00 C ATOM 620 OG1 THR A 40 5.501 -3.935 8.990 1.00 0.00 O ATOM 621 CG2 THR A 40 7.029 -5.769 9.353 1.00 0.00 C ATOM 0 H THR A 40 3.762 -4.897 7.124 1.00 0.00 H new ATOM 0 HA THR A 40 6.636 -5.086 6.772 1.00 0.00 H new ATOM 0 HB THR A 40 4.909 -5.910 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.484 -3.793 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.988 -5.591 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.180 -6.832 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.856 -5.204 8.923 1.00 0.00 H new ATOM 629 N ILE A 41 7.017 -7.588 6.797 1.00 0.00 N ATOM 630 CA ILE A 41 7.206 -9.011 6.541 1.00 0.00 C ATOM 631 C ILE A 41 8.188 -9.622 7.535 1.00 0.00 C ATOM 632 O ILE A 41 9.385 -9.338 7.495 1.00 0.00 O ATOM 633 CB ILE A 41 7.718 -9.262 5.110 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.710 -8.739 4.085 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.981 -10.745 4.895 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.333 -8.372 2.757 1.00 0.00 C ATOM 0 H ILE A 41 7.883 -7.053 6.867 1.00 0.00 H new ATOM 0 HA ILE A 41 6.232 -9.485 6.658 1.00 0.00 H new ATOM 0 HB ILE A 41 8.656 -8.723 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.945 -9.498 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.208 -7.863 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.342 -10.907 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.732 -11.088 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.057 -11.304 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.559 -8.009 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.078 -7.591 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.811 -9.251 2.324 1.00 0.00 H new ATOM 648 N SER A 42 7.673 -10.464 8.425 1.00 0.00 N ATOM 649 CA SER A 42 8.504 -11.115 9.431 1.00 0.00 C ATOM 650 C SER A 42 9.228 -12.321 8.840 1.00 0.00 C ATOM 651 O SER A 42 8.620 -13.362 8.586 1.00 0.00 O ATOM 652 CB SER A 42 7.650 -11.552 10.623 1.00 0.00 C ATOM 653 OG SER A 42 7.555 -10.519 11.588 1.00 0.00 O ATOM 0 H SER A 42 6.684 -10.711 8.470 1.00 0.00 H new ATOM 0 HA SER A 42 9.250 -10.397 9.771 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.653 -11.825 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.085 -12.441 11.079 1.00 0.00 H new ATOM 0 HG SER A 42 7.003 -10.822 12.339 1.00 0.00 H new ATOM 767 N PRO A 50 12.456 -5.944 10.674 1.00 0.00 N ATOM 768 CA PRO A 50 11.841 -6.699 9.579 1.00 0.00 C ATOM 769 C PRO A 50 11.824 -5.914 8.271 1.00 0.00 C ATOM 770 O PRO A 50 12.395 -4.828 8.181 1.00 0.00 O ATOM 771 CB PRO A 50 10.413 -6.942 10.074 1.00 0.00 C ATOM 772 CG PRO A 50 10.151 -5.834 11.035 1.00 0.00 C ATOM 773 CD PRO A 50 11.472 -5.532 11.688 1.00 0.00 C ATOM 0 HA PRO A 50 12.391 -7.613 9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.700 -6.927 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.322 -7.915 10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.760 -4.956 10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.407 -6.127 11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.567 -4.474 11.933 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.597 -6.087 12.618 1.00 0.00 H new ATOM 781 N ALA A 51 11.166 -6.472 7.260 1.00 0.00 N ATOM 782 CA ALA A 51 11.073 -5.823 5.959 1.00 0.00 C ATOM 783 C ALA A 51 9.875 -4.880 5.899 1.00 0.00 C ATOM 784 O ALA A 51 8.741 -5.284 6.157 1.00 0.00 O ATOM 785 CB ALA A 51 10.982 -6.865 4.854 1.00 0.00 C ATOM 0 H ALA A 51 10.690 -7.372 7.318 1.00 0.00 H new ATOM 0 HA ALA A 51 11.976 -5.231 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.913 -6.365 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.871 -7.495 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.097 -7.482 5.008 1.00 0.00 H new ATOM 791 N LYS A 52 10.134 -3.623 5.558 1.00 0.00 N ATOM 792 CA LYS A 52 9.078 -2.622 5.464 1.00 0.00 C ATOM 793 C LYS A 52 8.792 -2.268 4.008 1.00 0.00 C ATOM 794 O LYS A 52 9.643 -1.706 3.317 1.00 0.00 O ATOM 795 CB LYS A 52 9.471 -1.362 6.239 1.00 0.00 C ATOM 796 CG LYS A 52 9.479 -1.552 7.746 1.00 0.00 C ATOM 797 CD LYS A 52 8.122 -1.237 8.355 1.00 0.00 C ATOM 798 CE LYS A 52 8.232 -0.959 9.846 1.00 0.00 C ATOM 799 NZ LYS A 52 6.903 -0.995 10.516 1.00 0.00 N ATOM 0 H LYS A 52 11.067 -3.272 5.342 1.00 0.00 H new ATOM 0 HA LYS A 52 8.173 -3.043 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.462 -1.042 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.778 -0.559 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.755 -2.579 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.237 -0.907 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.689 -0.372 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.444 -2.074 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.890 -1.696 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.690 0.018 10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.021 -0.801 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.282 -0.274 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.476 -1.935 10.391 1.00 0.00 H new ATOM 813 N LEU A 53 7.590 -2.597 3.549 1.00 0.00 N ATOM 814 CA LEU A 53 7.191 -2.313 2.175 1.00 0.00 C ATOM 815 C LEU A 53 6.141 -1.207 2.131 1.00 0.00 C ATOM 816 O LEU A 53 4.993 -1.413 2.521 1.00 0.00 O ATOM 817 CB LEU A 53 6.646 -3.577 1.509 1.00 0.00 C ATOM 818 CG LEU A 53 7.674 -4.458 0.799 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.020 -5.731 0.282 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.334 -3.696 -0.340 1.00 0.00 C ATOM 0 H LEU A 53 6.874 -3.061 4.108 1.00 0.00 H new ATOM 0 HA LEU A 53 8.072 -1.974 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.146 -4.177 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.887 -3.283 0.784 1.00 0.00 H new ATOM 0 HG LEU A 53 8.444 -4.735 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.767 -6.346 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.595 -6.287 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.229 -5.473 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.063 -4.339 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.575 -3.388 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.838 -2.814 0.056 1.00 0.00 H new ATOM 832 N ASN A 54 6.544 -0.035 1.652 1.00 0.00 N ATOM 833 CA ASN A 54 5.637 1.104 1.555 1.00 0.00 C ATOM 834 C ASN A 54 4.614 0.890 0.444 1.00 0.00 C ATOM 835 O ASN A 54 4.973 0.632 -0.706 1.00 0.00 O ATOM 836 CB ASN A 54 6.425 2.390 1.298 1.00 0.00 C ATOM 837 CG ASN A 54 5.673 3.628 1.747 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.211 3.708 2.886 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.546 4.600 0.852 1.00 0.00 N ATOM 0 H ASN A 54 7.492 0.152 1.325 1.00 0.00 H new ATOM 0 HA ASN A 54 5.105 1.196 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.380 2.339 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.648 2.470 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.049 5.457 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.945 4.490 -0.080 1.00 0.00 H new ATOM 846 N LEU A 55 3.337 1.001 0.794 1.00 0.00 N ATOM 847 CA LEU A 55 2.260 0.822 -0.174 1.00 0.00 C ATOM 848 C LEU A 55 2.144 2.035 -1.091 1.00 0.00 C ATOM 849 O LEU A 55 1.801 1.907 -2.267 1.00 0.00 O ATOM 850 CB LEU A 55 0.933 0.585 0.549 1.00 0.00 C ATOM 851 CG LEU A 55 0.707 -0.826 1.094 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.917 -1.290 1.890 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.548 -0.871 1.953 1.00 0.00 C ATOM 0 H LEU A 55 3.022 1.214 1.741 1.00 0.00 H new ATOM 0 HA LEU A 55 2.495 -0.050 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.864 1.289 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.121 0.822 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 55 0.570 -1.503 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.739 -2.296 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.796 -1.296 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.085 -0.611 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.693 -1.882 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.441 -0.181 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.410 -0.581 1.353 1.00 0.00 H new ATOM 865 N LEU A 56 2.432 3.212 -0.546 1.00 0.00 N ATOM 866 CA LEU A 56 2.363 4.449 -1.315 1.00 0.00 C ATOM 867 C LEU A 56 3.230 4.361 -2.567 1.00 0.00 C ATOM 868 O LEU A 56 3.115 5.186 -3.475 1.00 0.00 O ATOM 869 CB LEU A 56 2.807 5.633 -0.455 1.00 0.00 C ATOM 870 CG LEU A 56 2.261 5.668 0.973 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.294 7.085 1.523 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.846 5.110 1.017 1.00 0.00 C ATOM 0 H LEU A 56 2.716 3.335 0.426 1.00 0.00 H new ATOM 0 HA LEU A 56 1.328 4.600 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.896 5.633 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.511 6.553 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 56 2.897 5.042 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.902 7.090 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.321 7.449 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.683 7.733 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.474 5.143 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.199 5.709 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.851 4.078 0.665 1.00 0.00 H new ATOM 884 N THR A 57 4.097 3.355 -2.610 1.00 0.00 N ATOM 885 CA THR A 57 4.983 3.158 -3.751 1.00 0.00 C ATOM 886 C THR A 57 4.776 1.784 -4.378 1.00 0.00 C ATOM 887 O THR A 57 4.839 1.632 -5.598 1.00 0.00 O ATOM 888 CB THR A 57 6.462 3.308 -3.346 1.00 0.00 C ATOM 889 OG1 THR A 57 6.867 2.188 -2.550 1.00 0.00 O ATOM 890 CG2 THR A 57 6.683 4.596 -2.568 1.00 0.00 C ATOM 0 H THR A 57 4.205 2.664 -1.868 1.00 0.00 H new ATOM 0 HA THR A 57 4.734 3.928 -4.481 1.00 0.00 H new ATOM 0 HB THR A 57 7.063 3.345 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.136 1.933 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.735 4.679 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.401 5.448 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.072 4.585 -1.665 1.00 0.00 H new ATOM 898 N CYS A 58 4.528 0.787 -3.536 1.00 0.00 N ATOM 899 CA CYS A 58 4.311 -0.576 -4.009 1.00 0.00 C ATOM 900 C CYS A 58 3.043 -0.664 -4.852 1.00 0.00 C ATOM 901 O CYS A 58 2.020 -0.069 -4.514 1.00 0.00 O ATOM 902 CB CYS A 58 4.218 -1.540 -2.825 1.00 0.00 C ATOM 903 SG CYS A 58 5.821 -2.085 -2.190 1.00 0.00 S ATOM 0 H CYS A 58 4.472 0.896 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 58 5.160 -0.857 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.665 -1.057 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.642 -2.415 -3.127 1.00 0.00 H new ATOM 0 HG CYS A 58 6.230 -1.256 -1.276 1.00 0.00 H new ATOM 909 N GLN A 59 3.120 -1.407 -5.951 1.00 0.00 N ATOM 910 CA GLN A 59 1.979 -1.571 -6.844 1.00 0.00 C ATOM 911 C GLN A 59 1.376 -2.965 -6.708 1.00 0.00 C ATOM 912 O GLN A 59 2.035 -3.967 -6.987 1.00 0.00 O ATOM 913 CB GLN A 59 2.399 -1.322 -8.293 1.00 0.00 C ATOM 914 CG GLN A 59 1.270 -0.815 -9.176 1.00 0.00 C ATOM 915 CD GLN A 59 1.773 -0.118 -10.424 1.00 0.00 C ATOM 916 OE1 GLN A 59 1.629 1.096 -10.572 1.00 0.00 O ATOM 917 NE2 GLN A 59 2.367 -0.883 -11.332 1.00 0.00 N ATOM 0 H GLN A 59 3.960 -1.905 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 59 1.221 -0.840 -6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.213 -0.597 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.790 -2.249 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.635 -1.653 -9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.649 -0.125 -8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.465 -1.885 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.725 -0.469 -12.193 1.00 0.00 H new ATOM 926 N VAL A 60 0.120 -3.023 -6.278 1.00 0.00 N ATOM 927 CA VAL A 60 -0.572 -4.295 -6.106 1.00 0.00 C ATOM 928 C VAL A 60 -1.240 -4.736 -7.403 1.00 0.00 C ATOM 929 O VAL A 60 -2.337 -4.287 -7.734 1.00 0.00 O ATOM 930 CB VAL A 60 -1.636 -4.209 -4.996 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.520 -5.447 -5.007 1.00 0.00 C ATOM 932 CG2 VAL A 60 -0.976 -4.027 -3.638 1.00 0.00 C ATOM 0 H VAL A 60 -0.440 -2.204 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 60 0.181 -5.030 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.266 -3.340 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.266 -5.369 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.021 -5.528 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.907 -6.333 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.743 -3.968 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.321 -4.874 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.390 -3.108 -3.638 1.00 0.00 H new ATOM 942 N LYS A 61 -0.572 -5.621 -8.135 1.00 0.00 N ATOM 943 CA LYS A 61 -1.100 -6.127 -9.396 1.00 0.00 C ATOM 944 C LYS A 61 -1.638 -7.545 -9.231 1.00 0.00 C ATOM 945 O LYS A 61 -0.906 -8.529 -9.340 1.00 0.00 O ATOM 946 CB LYS A 61 -0.014 -6.104 -10.474 1.00 0.00 C ATOM 947 CG LYS A 61 0.438 -4.704 -10.853 1.00 0.00 C ATOM 948 CD LYS A 61 1.127 -4.688 -12.207 1.00 0.00 C ATOM 949 CE LYS A 61 0.121 -4.589 -13.343 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.367 -3.195 -13.532 1.00 0.00 N ATOM 0 H LYS A 61 0.338 -6.003 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.921 -5.479 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.847 -6.672 -10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.387 -6.610 -11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.423 -4.036 -10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.119 -4.322 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.816 -3.845 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.722 -5.594 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.580 -4.941 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.725 -5.245 -13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.051 -3.170 -14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.828 -2.867 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.436 -2.573 -13.754 1.00 0.00 H new ATOM 964 N PRO A 62 -2.948 -7.654 -8.964 1.00 0.00 N ATOM 965 CA PRO A 62 -3.612 -8.948 -8.781 1.00 0.00 C ATOM 966 C PRO A 62 -3.712 -9.738 -10.081 1.00 0.00 C ATOM 967 O PRO A 62 -4.016 -9.181 -11.135 1.00 0.00 O ATOM 968 CB PRO A 62 -5.007 -8.562 -8.282 1.00 0.00 C ATOM 969 CG PRO A 62 -5.231 -7.186 -8.808 1.00 0.00 C ATOM 970 CD PRO A 62 -3.881 -6.524 -8.821 1.00 0.00 C ATOM 0 HA PRO A 62 -3.062 -9.595 -8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.764 -9.254 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.058 -8.583 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.661 -7.216 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.930 -6.636 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.787 -5.819 -9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.698 -5.966 -7.903 1.00 0.00 H new ATOM 978 N ASN A 63 -3.453 -11.039 -9.999 1.00 0.00 N ATOM 979 CA ASN A 63 -3.513 -11.906 -11.170 1.00 0.00 C ATOM 980 C ASN A 63 -4.853 -11.762 -11.885 1.00 0.00 C ATOM 981 O ASN A 63 -5.737 -11.037 -11.429 1.00 0.00 O ATOM 982 CB ASN A 63 -3.294 -13.365 -10.763 1.00 0.00 C ATOM 983 CG ASN A 63 -4.593 -14.072 -10.425 1.00 0.00 C ATOM 984 OD1 ASN A 63 -5.364 -14.435 -11.313 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.840 -14.270 -9.135 1.00 0.00 N ATOM 0 H ASN A 63 -3.200 -11.516 -9.134 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.721 -11.604 -11.855 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.796 -13.895 -11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.628 -13.403 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.698 -14.740 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.172 -13.952 -8.433 1.00 0.00 H new ATOM 992 N ALA A 64 -4.996 -12.458 -13.009 1.00 0.00 N ATOM 993 CA ALA A 64 -6.228 -12.409 -13.786 1.00 0.00 C ATOM 994 C ALA A 64 -6.785 -13.810 -14.019 1.00 0.00 C ATOM 995 O ALA A 64 -7.999 -14.007 -14.048 1.00 0.00 O ATOM 996 CB ALA A 64 -5.987 -11.707 -15.114 1.00 0.00 C ATOM 0 H ALA A 64 -4.274 -13.062 -13.401 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.965 -11.843 -13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.916 -11.678 -15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.642 -10.690 -14.930 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.231 -12.250 -15.681 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.890 -14.778 -14.185 1.00 0.00 N ATOM 1003 CA GLU A 65 -6.294 -16.160 -14.417 1.00 0.00 C ATOM 1004 C GLU A 65 -6.596 -16.867 -13.099 1.00 0.00 C ATOM 1005 O GLU A 65 -7.710 -17.342 -12.879 1.00 0.00 O ATOM 1006 CB GLU A 65 -5.199 -16.914 -15.174 1.00 0.00 C ATOM 1007 CG GLU A 65 -5.008 -16.437 -16.604 1.00 0.00 C ATOM 1008 CD GLU A 65 -3.888 -17.168 -17.319 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -3.726 -18.383 -17.079 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -3.174 -16.526 -18.116 1.00 0.00 O ATOM 0 H GLU A 65 -4.881 -14.631 -14.163 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.202 -16.150 -15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.257 -16.807 -14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.442 -17.977 -15.184 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.938 -16.575 -17.156 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.795 -15.368 -16.601 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.596 -16.933 -12.227 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.753 -17.582 -10.931 1.00 0.00 C ATOM 1019 C ASP A 66 -6.913 -16.967 -10.153 1.00 0.00 C ATOM 1020 O ASP A 66 -7.619 -16.093 -10.657 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.462 -17.468 -10.119 1.00 0.00 C ATOM 1022 CG ASP A 66 -4.351 -18.540 -9.054 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -4.035 -19.696 -9.405 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -4.581 -18.224 -7.868 1.00 0.00 O ATOM 0 H ASP A 66 -4.668 -16.545 -12.394 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.972 -18.636 -11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.606 -17.538 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.418 -16.486 -9.648 1.00 0.00 H new ATOM 1029 N LYS A 67 -7.105 -17.431 -8.923 1.00 0.00 N ATOM 1030 CA LYS A 67 -8.179 -16.928 -8.075 1.00 0.00 C ATOM 1031 C LYS A 67 -7.616 -16.224 -6.844 1.00 0.00 C ATOM 1032 O LYS A 67 -8.193 -15.254 -6.352 1.00 0.00 O ATOM 1033 CB LYS A 67 -9.096 -18.075 -7.643 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.035 -18.548 -8.739 1.00 0.00 C ATOM 1035 CD LYS A 67 -11.229 -17.620 -8.889 1.00 0.00 C ATOM 1036 CE LYS A 67 -12.282 -18.212 -9.814 1.00 0.00 C ATOM 1037 NZ LYS A 67 -13.576 -17.480 -9.720 1.00 0.00 N ATOM 0 H LYS A 67 -6.531 -18.155 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.756 -16.207 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.484 -18.914 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.686 -17.754 -6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.494 -18.603 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.383 -19.556 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.669 -17.430 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.897 -16.659 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.921 -18.182 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.439 -19.261 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.268 -17.913 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.933 -17.530 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.432 -16.485 -9.985 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.484 -16.716 -6.353 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.840 -16.133 -5.182 1.00 0.00 C ATOM 1053 C LYS A 68 -4.356 -15.894 -5.439 1.00 0.00 C ATOM 1054 O LYS A 68 -3.500 -16.554 -4.850 1.00 0.00 O ATOM 1055 CB LYS A 68 -6.017 -17.048 -3.968 1.00 0.00 C ATOM 1056 CG LYS A 68 -5.573 -18.479 -4.216 1.00 0.00 C ATOM 1057 CD LYS A 68 -6.160 -19.432 -3.188 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.355 -20.825 -3.766 1.00 0.00 C ATOM 1059 NZ LYS A 68 -5.145 -21.674 -3.587 1.00 0.00 N ATOM 0 H LYS A 68 -5.993 -17.518 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.315 -15.173 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.451 -16.641 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.066 -17.048 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.879 -18.788 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.485 -18.534 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.501 -19.486 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.117 -19.046 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.208 -21.302 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.591 -20.748 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.318 -22.615 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.336 -21.232 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.934 -21.769 -2.573 1.00 0.00 H new ATOM 1073 N SER A 69 -4.058 -14.945 -6.322 1.00 0.00 N ATOM 1074 CA SER A 69 -2.677 -14.621 -6.659 1.00 0.00 C ATOM 1075 C SER A 69 -2.529 -13.135 -6.971 1.00 0.00 C ATOM 1076 O SER A 69 -3.323 -12.564 -7.719 1.00 0.00 O ATOM 1077 CB SER A 69 -2.213 -15.454 -7.855 1.00 0.00 C ATOM 1078 OG SER A 69 -1.979 -16.800 -7.479 1.00 0.00 O ATOM 0 H SER A 69 -4.755 -14.388 -6.816 1.00 0.00 H new ATOM 0 HA SER A 69 -2.053 -14.857 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.967 -15.419 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.301 -15.025 -8.269 1.00 0.00 H new ATOM 0 HG SER A 69 -2.831 -17.284 -7.447 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.506 -12.514 -6.393 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.253 -11.094 -6.607 1.00 0.00 C ATOM 1086 C PHE A 70 0.244 -10.801 -6.592 1.00 0.00 C ATOM 1087 O PHE A 70 0.997 -11.396 -5.821 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.959 -10.261 -5.535 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.249 -10.261 -4.212 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.427 -11.303 -3.316 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.404 -9.220 -3.864 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.775 -11.307 -2.097 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.251 -9.219 -2.646 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.064 -10.263 -1.762 1.00 0.00 C ATOM 0 H PHE A 70 -0.839 -12.972 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.649 -10.823 -7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.053 -9.234 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.970 -10.644 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.083 -12.122 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.255 -8.400 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.922 -12.125 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.908 -8.402 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.573 -10.263 -0.810 1.00 0.00 H new ATOM 1104 N ASP A 71 0.669 -9.879 -7.449 1.00 0.00 N ATOM 1105 CA ASP A 71 2.075 -9.504 -7.535 1.00 0.00 C ATOM 1106 C ASP A 71 2.309 -8.125 -6.926 1.00 0.00 C ATOM 1107 O ASP A 71 1.559 -7.184 -7.188 1.00 0.00 O ATOM 1108 CB ASP A 71 2.541 -9.518 -8.992 1.00 0.00 C ATOM 1109 CG ASP A 71 2.971 -10.897 -9.450 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.383 -11.890 -8.973 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.896 -10.985 -10.285 1.00 0.00 O ATOM 0 H ASP A 71 0.059 -9.377 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 71 2.655 -10.234 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.734 -9.161 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.373 -8.823 -9.111 1.00 0.00 H new ATOM 1116 N LEU A 72 3.353 -8.013 -6.112 1.00 0.00 N ATOM 1117 CA LEU A 72 3.685 -6.749 -5.464 1.00 0.00 C ATOM 1118 C LEU A 72 4.934 -6.132 -6.083 1.00 0.00 C ATOM 1119 O LEU A 72 6.053 -6.571 -5.817 1.00 0.00 O ATOM 1120 CB LEU A 72 3.898 -6.963 -3.964 1.00 0.00 C ATOM 1121 CG LEU A 72 3.955 -5.698 -3.107 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.600 -5.007 -3.085 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.409 -6.031 -1.694 1.00 0.00 C ATOM 0 H LEU A 72 3.984 -8.782 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 72 2.851 -6.063 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.093 -7.595 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.828 -7.515 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 72 4.681 -5.015 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.660 -4.109 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.315 -4.733 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.854 -5.683 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.444 -5.119 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.708 -6.733 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.401 -6.481 -1.727 1.00 0.00 H new ATOM 1135 N ILE A 73 4.735 -5.110 -6.909 1.00 0.00 N ATOM 1136 CA ILE A 73 5.846 -4.430 -7.564 1.00 0.00 C ATOM 1137 C ILE A 73 6.443 -3.356 -6.660 1.00 0.00 C ATOM 1138 O ILE A 73 5.785 -2.368 -6.335 1.00 0.00 O ATOM 1139 CB ILE A 73 5.407 -3.783 -8.890 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.951 -4.856 -9.881 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.542 -2.959 -9.479 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.918 -4.366 -10.870 1.00 0.00 C ATOM 0 H ILE A 73 3.815 -4.735 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 73 6.601 -5.188 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 73 4.566 -3.118 -8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.818 -5.226 -10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.540 -5.700 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.216 -2.508 -10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.824 -2.174 -8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.401 -3.604 -9.666 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.642 -5.180 -11.541 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.034 -4.023 -10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.332 -3.542 -11.451 1.00 0.00 H new ATOM 1154 N SER A 74 7.694 -3.556 -6.260 1.00 0.00 N ATOM 1155 CA SER A 74 8.380 -2.606 -5.392 1.00 0.00 C ATOM 1156 C SER A 74 9.273 -1.674 -6.205 1.00 0.00 C ATOM 1157 O SER A 74 9.706 -2.014 -7.306 1.00 0.00 O ATOM 1158 CB SER A 74 9.216 -3.348 -4.347 1.00 0.00 C ATOM 1159 OG SER A 74 9.401 -2.558 -3.186 1.00 0.00 O ATOM 0 H SER A 74 8.254 -4.367 -6.523 1.00 0.00 H new ATOM 0 HA SER A 74 7.625 -2.006 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.723 -4.283 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.186 -3.609 -4.771 1.00 0.00 H new ATOM 0 HG SER A 74 8.528 -2.315 -2.813 1.00 0.00 H new ATOM 1165 N HIS A 75 9.544 -0.494 -5.655 1.00 0.00 N ATOM 1166 CA HIS A 75 10.385 0.488 -6.328 1.00 0.00 C ATOM 1167 C HIS A 75 11.552 -0.191 -7.038 1.00 0.00 C ATOM 1168 O HIS A 75 12.510 -0.626 -6.401 1.00 0.00 O ATOM 1169 CB HIS A 75 10.912 1.514 -5.323 1.00 0.00 C ATOM 1170 CG HIS A 75 11.392 0.905 -4.042 1.00 0.00 C ATOM 1171 ND1 HIS A 75 10.651 0.917 -2.879 1.00 0.00 N ATOM 1172 CD2 HIS A 75 12.545 0.261 -3.745 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.328 0.310 -1.921 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.481 -0.099 -2.421 1.00 0.00 N ATOM 0 H HIS A 75 9.193 -0.196 -4.745 1.00 0.00 H new ATOM 0 HA HIS A 75 9.777 1.000 -7.074 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.730 2.071 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.122 2.232 -5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.363 0.066 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.996 0.172 -0.903 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.206 -0.600 -1.907 1.00 0.00 H new ATOM 1183 N ASN A 76 11.463 -0.279 -8.361 1.00 0.00 N ATOM 1184 CA ASN A 76 12.511 -0.906 -9.158 1.00 0.00 C ATOM 1185 C ASN A 76 12.699 -2.366 -8.756 1.00 0.00 C ATOM 1186 O ASN A 76 13.826 -2.834 -8.588 1.00 0.00 O ATOM 1187 CB ASN A 76 13.829 -0.147 -8.994 1.00 0.00 C ATOM 1188 CG ASN A 76 13.658 1.351 -9.163 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.457 2.077 -8.189 1.00 0.00 O ATOM 1190 ND2 ASN A 76 13.737 1.819 -10.403 1.00 0.00 N ATOM 0 H ASN A 76 10.676 0.076 -8.904 1.00 0.00 H new ATOM 0 HA ASN A 76 12.207 -0.871 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.244 -0.354 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.549 -0.513 -9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.630 2.818 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.905 1.180 -11.180 1.00 0.00 H new ATOM 1197 N ARG A 77 11.589 -3.080 -8.603 1.00 0.00 N ATOM 1198 CA ARG A 77 11.631 -4.486 -8.220 1.00 0.00 C ATOM 1199 C ARG A 77 10.239 -5.108 -8.281 1.00 0.00 C ATOM 1200 O ARG A 77 9.230 -4.404 -8.243 1.00 0.00 O ATOM 1201 CB ARG A 77 12.207 -4.636 -6.811 1.00 0.00 C ATOM 1202 CG ARG A 77 12.777 -6.016 -6.529 1.00 0.00 C ATOM 1203 CD ARG A 77 13.623 -6.023 -5.265 1.00 0.00 C ATOM 1204 NE ARG A 77 14.992 -5.582 -5.521 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.009 -5.831 -4.703 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.812 -6.514 -3.584 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.226 -5.397 -5.005 1.00 0.00 N ATOM 0 H ARG A 77 10.649 -2.708 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 77 12.275 -5.010 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.991 -3.892 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.425 -4.420 -6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.962 -6.733 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.383 -6.340 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.166 -5.373 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.639 -7.029 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 77 15.177 -5.054 -6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.878 -6.850 -3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.595 -6.704 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.381 -4.872 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.006 -5.588 -4.377 1.00 0.00 H new ATOM 1221 N THR A 78 10.193 -6.434 -8.376 1.00 0.00 N ATOM 1222 CA THR A 78 8.926 -7.151 -8.445 1.00 0.00 C ATOM 1223 C THR A 78 8.898 -8.312 -7.457 1.00 0.00 C ATOM 1224 O THR A 78 9.836 -9.106 -7.391 1.00 0.00 O ATOM 1225 CB THR A 78 8.662 -7.692 -9.863 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.200 -6.792 -10.838 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.171 -7.876 -10.103 1.00 0.00 C ATOM 0 H THR A 78 11.019 -7.032 -8.407 1.00 0.00 H new ATOM 0 HA THR A 78 8.144 -6.437 -8.186 1.00 0.00 H new ATOM 0 HB THR A 78 9.151 -8.662 -9.955 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.030 -7.144 -11.737 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.009 -8.259 -11.111 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.770 -8.584 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.664 -6.917 -9.993 1.00 0.00 H new ATOM 1235 N TYR A 79 7.816 -8.404 -6.691 1.00 0.00 N ATOM 1236 CA TYR A 79 7.666 -9.468 -5.705 1.00 0.00 C ATOM 1237 C TYR A 79 6.472 -10.356 -6.039 1.00 0.00 C ATOM 1238 O TYR A 79 5.527 -9.924 -6.700 1.00 0.00 O ATOM 1239 CB TYR A 79 7.500 -8.875 -4.305 1.00 0.00 C ATOM 1240 CG TYR A 79 8.756 -8.225 -3.770 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.421 -7.248 -4.499 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.278 -8.590 -2.535 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.570 -6.652 -4.014 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.424 -7.998 -2.041 1.00 0.00 C ATOM 1245 CZ TYR A 79 11.067 -7.030 -2.784 1.00 0.00 C ATOM 1246 OH TYR A 79 12.210 -6.440 -2.297 1.00 0.00 O ATOM 0 H TYR A 79 7.030 -7.755 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 79 8.568 -10.080 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.699 -8.136 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.189 -9.664 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.034 -6.949 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.779 -9.350 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.076 -5.895 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.815 -8.292 -1.078 1.00 0.00 H new ATOM 0 HH TYR A 79 12.425 -6.818 -1.419 1.00 0.00 H new ATOM 1256 N HIS A 80 6.521 -11.601 -5.576 1.00 0.00 N ATOM 1257 CA HIS A 80 5.442 -12.552 -5.823 1.00 0.00 C ATOM 1258 C HIS A 80 4.801 -12.999 -4.513 1.00 0.00 C ATOM 1259 O HIS A 80 5.493 -13.390 -3.573 1.00 0.00 O ATOM 1260 CB HIS A 80 5.970 -13.767 -6.586 1.00 0.00 C ATOM 1261 CG HIS A 80 6.744 -13.410 -7.818 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.180 -12.775 -8.904 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.047 -13.603 -8.132 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.102 -12.593 -9.833 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.244 -13.086 -9.389 1.00 0.00 N ATOM 0 H HIS A 80 7.296 -11.975 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 80 4.683 -12.054 -6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.607 -14.353 -5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.130 -14.403 -6.866 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.203 -12.490 -8.979 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.793 -14.076 -7.510 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.948 -12.121 -10.792 1.00 0.00 H new ATOM 1274 N PHE A 81 3.475 -12.936 -4.457 1.00 0.00 N ATOM 1275 CA PHE A 81 2.740 -13.333 -3.262 1.00 0.00 C ATOM 1276 C PHE A 81 1.516 -14.168 -3.627 1.00 0.00 C ATOM 1277 O PHE A 81 1.003 -14.079 -4.742 1.00 0.00 O ATOM 1278 CB PHE A 81 2.310 -12.097 -2.468 1.00 0.00 C ATOM 1279 CG PHE A 81 3.458 -11.354 -1.847 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.918 -11.694 -0.585 1.00 0.00 C ATOM 1281 CD2 PHE A 81 4.077 -10.317 -2.525 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.974 -11.012 -0.011 1.00 0.00 C ATOM 1283 CE2 PHE A 81 5.134 -9.631 -1.956 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.583 -9.980 -0.698 1.00 0.00 C ATOM 0 H PHE A 81 2.887 -12.614 -5.226 1.00 0.00 H new ATOM 0 HA PHE A 81 3.401 -13.941 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.766 -11.422 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.618 -12.402 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.446 -12.501 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.730 -10.041 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.323 -11.286 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.608 -8.824 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.409 -9.447 -0.252 1.00 0.00 H new ATOM 1294 N GLN A 82 1.055 -14.978 -2.680 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.107 -15.829 -2.902 1.00 0.00 C ATOM 1296 C GLN A 82 -0.935 -15.964 -1.628 1.00 0.00 C ATOM 1297 O GLN A 82 -0.413 -15.840 -0.521 1.00 0.00 O ATOM 1298 CB GLN A 82 0.332 -17.212 -3.388 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.821 -18.094 -3.837 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.362 -19.460 -4.308 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.708 -20.482 -3.715 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.422 -19.485 -5.379 1.00 0.00 N ATOM 0 H GLN A 82 1.469 -15.063 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.726 -15.362 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.030 -17.092 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.872 -17.715 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.523 -18.215 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.360 -17.598 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.684 -18.613 -5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.762 -20.376 -5.741 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.229 -16.219 -1.794 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.129 -16.372 -0.657 1.00 0.00 C ATOM 1313 C ALA A 83 -3.554 -17.826 -0.486 1.00 0.00 C ATOM 1314 O ALA A 83 -3.705 -18.557 -1.465 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.349 -15.479 -0.826 1.00 0.00 C ATOM 0 H ALA A 83 -2.677 -16.324 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.593 -16.069 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.012 -15.603 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.032 -14.438 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.878 -15.755 -1.738 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.746 -18.239 0.763 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.153 -19.608 1.060 1.00 0.00 C ATOM 1323 C GLU A 84 -5.517 -19.915 0.448 1.00 0.00 C ATOM 1324 O GLU A 84 -5.653 -20.829 -0.365 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.198 -19.832 2.573 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.859 -19.627 3.259 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.647 -18.194 3.708 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -3.276 -17.787 4.708 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.854 -17.479 3.061 1.00 0.00 O ATOM 0 H GLU A 84 -3.627 -17.646 1.584 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.418 -20.283 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.929 -19.152 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.547 -20.845 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.793 -20.288 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.058 -19.912 2.577 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.524 -19.145 0.846 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.878 -19.333 0.337 1.00 0.00 C ATOM 1338 C ASP A 85 -8.353 -18.094 -0.415 1.00 0.00 C ATOM 1339 O ASP A 85 -8.002 -16.969 -0.060 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.838 -19.648 1.485 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.763 -21.099 1.921 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -8.505 -21.965 1.059 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.963 -21.367 3.124 1.00 0.00 O ATOM 0 H ASP A 85 -6.428 -18.385 1.519 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.865 -20.174 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.608 -19.004 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.857 -19.417 1.176 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.153 -18.309 -1.455 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.674 -17.209 -2.257 1.00 0.00 C ATOM 1350 C GLU A 86 -10.233 -16.103 -1.366 1.00 0.00 C ATOM 1351 O GLU A 86 -10.161 -14.923 -1.707 1.00 0.00 O ATOM 1352 CB GLU A 86 -10.763 -17.713 -3.207 1.00 0.00 C ATOM 1353 CG GLU A 86 -10.221 -18.259 -4.518 1.00 0.00 C ATOM 1354 CD GLU A 86 -9.915 -19.742 -4.450 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -9.533 -20.220 -3.361 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -10.058 -20.425 -5.486 1.00 0.00 O ATOM 0 H GLU A 86 -9.454 -19.234 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.852 -16.799 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.337 -18.494 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.453 -16.897 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.947 -18.078 -5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.314 -17.717 -4.786 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.791 -16.496 -0.225 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.363 -15.538 0.713 1.00 0.00 C ATOM 1365 C GLN A 87 -10.296 -14.580 1.233 1.00 0.00 C ATOM 1366 O GLN A 87 -10.492 -13.365 1.246 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.021 -16.271 1.884 1.00 0.00 C ATOM 1368 CG GLN A 87 -11.085 -16.505 3.059 1.00 0.00 C ATOM 1369 CD GLN A 87 -11.795 -17.091 4.263 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -12.183 -16.369 5.182 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -11.970 -18.407 4.265 1.00 0.00 N ATOM 0 H GLN A 87 -10.859 -17.470 0.071 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.119 -14.957 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.881 -15.695 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.399 -17.232 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.284 -17.177 2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.619 -15.561 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.633 -18.968 3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.442 -18.858 5.049 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.167 -15.136 1.660 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.068 -14.330 2.180 1.00 0.00 C ATOM 1382 C ASP A 88 -7.526 -13.392 1.106 1.00 0.00 C ATOM 1383 O ASP A 88 -7.117 -12.269 1.398 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.948 -15.233 2.699 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.129 -14.571 3.789 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.729 -14.097 4.776 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.888 -14.526 3.656 1.00 0.00 O ATOM 0 H ASP A 88 -8.989 -16.140 1.656 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.450 -13.727 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.379 -16.157 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.293 -15.507 1.872 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.526 -13.861 -0.137 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.032 -13.066 -1.254 1.00 0.00 C ATOM 1394 C TYR A 89 -7.948 -11.877 -1.524 1.00 0.00 C ATOM 1395 O TYR A 89 -7.537 -10.722 -1.411 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.915 -13.930 -2.510 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.961 -13.138 -3.797 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.800 -12.622 -4.360 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.165 -12.903 -4.449 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.837 -11.897 -5.536 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.212 -12.180 -5.625 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.046 -11.679 -6.164 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.088 -10.957 -7.335 1.00 0.00 O ATOM 0 H TYR A 89 -7.863 -14.788 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.045 -12.687 -0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.980 -14.489 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.723 -14.661 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.852 -12.790 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.081 -13.293 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.925 -11.504 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.157 -12.008 -6.119 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.015 -10.896 -7.648 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.195 -12.169 -1.883 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.172 -11.125 -2.169 1.00 0.00 C ATOM 1415 C VAL A 90 -10.068 -9.984 -1.163 1.00 0.00 C ATOM 1416 O VAL A 90 -10.232 -8.817 -1.515 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.609 -11.681 -2.150 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.620 -10.553 -2.285 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.795 -12.711 -3.254 1.00 0.00 C ATOM 0 H VAL A 90 -9.552 -13.119 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.949 -10.748 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.777 -12.174 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.629 -10.965 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.500 -9.856 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.457 -10.029 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.815 -13.094 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.608 -12.245 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.095 -13.533 -3.106 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.792 -10.331 0.090 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.663 -9.335 1.147 1.00 0.00 C ATOM 1431 C ALA A 91 -8.346 -8.576 1.028 1.00 0.00 C ATOM 1432 O ALA A 91 -8.334 -7.367 0.797 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.771 -9.998 2.512 1.00 0.00 C ATOM 0 H ALA A 91 -9.654 -11.294 0.398 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.476 -8.618 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.673 -9.243 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.740 -10.489 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.978 -10.737 2.621 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.239 -9.293 1.187 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.916 -8.685 1.097 1.00 0.00 C ATOM 1441 C TRP A 92 -5.889 -7.595 0.032 1.00 0.00 C ATOM 1442 O TRP A 92 -5.613 -6.432 0.329 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.864 -9.750 0.782 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.280 -10.388 2.006 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.341 -11.708 2.351 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.547 -9.733 3.047 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.691 -11.913 3.544 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.194 -10.717 3.991 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.153 -8.411 3.273 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.468 -10.419 5.141 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.432 -8.117 4.415 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.095 -9.117 5.337 1.00 0.00 C ATOM 0 H TRP A 92 -7.231 -10.295 1.379 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.686 -8.230 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.314 -10.522 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.062 -9.297 0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.829 -12.478 1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.594 -12.810 4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.407 -7.633 2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.208 -11.188 5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.123 -7.099 4.600 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.530 -8.855 6.219 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.176 -7.977 -1.207 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.185 -7.030 -2.315 1.00 0.00 C ATOM 1465 C ILE A 93 -6.922 -5.749 -1.938 1.00 0.00 C ATOM 1466 O ILE A 93 -6.419 -4.646 -2.149 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.842 -7.637 -3.569 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.050 -8.856 -4.047 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.938 -6.595 -4.674 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.607 -8.547 -4.379 1.00 0.00 C ATOM 0 H ILE A 93 -6.405 -8.936 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.144 -6.795 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.851 -7.960 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.080 -9.624 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.536 -9.272 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.404 -7.039 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.540 -5.754 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.939 -6.244 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.107 -9.457 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.568 -7.801 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.105 -8.159 -3.493 1.00 0.00 H new ATOM 1482 N SER A 94 -8.117 -5.904 -1.377 1.00 0.00 N ATOM 1483 CA SER A 94 -8.925 -4.760 -0.971 1.00 0.00 C ATOM 1484 C SER A 94 -8.153 -3.863 -0.010 1.00 0.00 C ATOM 1485 O SER A 94 -8.172 -2.638 -0.134 1.00 0.00 O ATOM 1486 CB SER A 94 -10.223 -5.233 -0.314 1.00 0.00 C ATOM 1487 OG SER A 94 -11.224 -4.232 -0.383 1.00 0.00 O ATOM 0 H SER A 94 -8.547 -6.811 -1.193 1.00 0.00 H new ATOM 0 HA SER A 94 -9.167 -4.183 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.575 -6.139 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.034 -5.491 0.728 1.00 0.00 H new ATOM 0 HG SER A 94 -12.066 -4.587 -0.029 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.472 -4.482 0.950 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.691 -3.741 1.933 1.00 0.00 C ATOM 1495 C VAL A 95 -5.454 -3.118 1.296 1.00 0.00 C ATOM 1496 O VAL A 95 -5.375 -1.900 1.128 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.253 -4.646 3.100 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.170 -3.848 4.392 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.208 -5.821 3.249 1.00 0.00 C ATOM 0 H VAL A 95 -7.446 -5.495 1.067 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.335 -2.950 2.318 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.261 -5.039 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.859 -4.504 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.444 -3.043 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.148 -3.424 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.884 -6.450 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.214 -5.450 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.212 -6.406 2.329 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.490 -3.960 0.942 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.255 -3.493 0.321 1.00 0.00 C ATOM 1511 C LEU A 96 -3.515 -2.275 -0.561 1.00 0.00 C ATOM 1512 O LEU A 96 -2.819 -1.264 -0.464 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.622 -4.611 -0.508 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.331 -5.916 0.236 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.272 -7.083 -0.737 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.031 -5.805 1.018 1.00 0.00 C ATOM 0 H LEU A 96 -4.539 -4.970 1.074 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.566 -3.204 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.283 -4.833 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.687 -4.240 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.142 -6.099 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.064 -8.003 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.228 -7.176 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.482 -6.908 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.840 -6.742 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.210 -5.598 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.110 -4.995 1.743 1.00 0.00 H new ATOM 1528 N THR A 97 -4.525 -2.379 -1.420 1.00 0.00 N ATOM 1529 CA THR A 97 -4.878 -1.287 -2.318 1.00 0.00 C ATOM 1530 C THR A 97 -5.526 -0.136 -1.556 1.00 0.00 C ATOM 1531 O THR A 97 -5.245 1.032 -1.822 1.00 0.00 O ATOM 1532 CB THR A 97 -5.839 -1.759 -3.425 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.348 -2.966 -4.018 1.00 0.00 O ATOM 1534 CG2 THR A 97 -5.998 -0.690 -4.496 1.00 0.00 C ATOM 0 H THR A 97 -5.112 -3.208 -1.512 1.00 0.00 H new ATOM 0 HA THR A 97 -3.951 -0.941 -2.775 1.00 0.00 H new ATOM 0 HB THR A 97 -6.813 -1.947 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.630 -3.734 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.681 -1.046 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.400 0.218 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.027 -0.475 -4.943 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.393 -0.474 -0.608 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.080 0.533 0.193 1.00 0.00 C ATOM 1544 C ASN A 98 -6.080 1.425 0.922 1.00 0.00 C ATOM 1545 O ASN A 98 -5.950 2.609 0.614 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.012 -0.139 1.204 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.356 -0.500 0.601 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.805 0.124 -0.361 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.005 -1.512 1.165 1.00 0.00 N ATOM 0 H ASN A 98 -6.637 -1.437 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.671 1.155 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.536 -1.041 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.165 0.528 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.914 -1.801 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.595 -2.001 1.961 1.00 0.00 H new ATOM 1556 N SER A 99 -5.374 0.846 1.888 1.00 0.00 N ATOM 1557 CA SER A 99 -4.387 1.589 2.663 1.00 0.00 C ATOM 1558 C SER A 99 -3.649 2.593 1.783 1.00 0.00 C ATOM 1559 O SER A 99 -3.336 3.703 2.214 1.00 0.00 O ATOM 1560 CB SER A 99 -3.387 0.628 3.310 1.00 0.00 C ATOM 1561 OG SER A 99 -2.891 1.153 4.529 1.00 0.00 O ATOM 0 H SER A 99 -5.467 -0.135 2.153 1.00 0.00 H new ATOM 0 HA SER A 99 -4.913 2.136 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.868 -0.333 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.559 0.445 2.625 1.00 0.00 H new ATOM 0 HG SER A 99 -2.383 0.460 5.001 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.373 2.195 0.546 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.673 3.058 -0.398 1.00 0.00 C ATOM 1569 C LYS A 100 -3.540 4.249 -0.792 1.00 0.00 C ATOM 1570 O LYS A 100 -3.118 5.400 -0.677 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.277 2.267 -1.647 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.508 3.087 -2.668 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.626 2.495 -4.062 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.905 3.349 -5.094 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.924 2.722 -6.444 1.00 0.00 N ATOM 0 H LYS A 100 -3.624 1.279 0.173 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.772 3.432 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.670 1.412 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.177 1.870 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.885 4.110 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.458 3.136 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.210 1.488 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.678 2.406 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.374 4.332 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.127 3.504 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.423 3.335 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.454 1.795 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.909 2.598 -6.755 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.753 3.966 -1.256 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.678 5.015 -1.665 1.00 0.00 C ATOM 1591 C GLU A 101 -6.026 5.923 -0.489 1.00 0.00 C ATOM 1592 O GLU A 101 -5.798 7.132 -0.537 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.954 4.403 -2.246 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.802 3.925 -3.680 1.00 0.00 C ATOM 1595 CD GLU A 101 -8.134 3.775 -4.389 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -8.894 2.849 -4.036 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -8.417 4.583 -5.298 1.00 0.00 O ATOM 0 H GLU A 101 -5.118 3.019 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.189 5.615 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.260 3.563 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.754 5.142 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.179 4.630 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.281 2.967 -3.687 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.580 5.331 0.564 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.961 6.087 1.752 1.00 0.00 C ATOM 1606 C GLU A 102 -5.804 6.956 2.238 1.00 0.00 C ATOM 1607 O GLU A 102 -6.007 7.927 2.965 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.404 5.138 2.867 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.682 4.380 2.549 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.773 5.280 2.000 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.834 5.453 0.765 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.565 5.810 2.806 1.00 0.00 O ATOM 0 H GLU A 102 -6.775 4.331 0.619 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.794 6.737 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.606 4.422 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.549 5.710 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.464 3.596 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.042 3.888 3.452 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.591 6.597 1.831 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.402 7.343 2.223 1.00 0.00 C ATOM 1621 C ALA A 103 -3.107 8.466 1.234 1.00 0.00 C ATOM 1622 O ALA A 103 -2.526 9.490 1.596 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.206 6.410 2.336 1.00 0.00 C ATOM 0 H ALA A 103 -4.406 5.794 1.230 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.591 7.793 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.325 6.981 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.410 5.646 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.025 5.933 1.373 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.510 8.267 -0.016 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.288 9.263 -1.059 1.00 0.00 C ATOM 1631 C LEU A 104 -4.401 10.305 -1.062 1.00 0.00 C ATOM 1632 O LEU A 104 -4.140 11.509 -1.059 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.204 8.586 -2.429 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.923 7.801 -2.712 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.088 6.938 -3.953 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.742 8.747 -2.872 1.00 0.00 C ATOM 0 H LEU A 104 -3.992 7.426 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.344 9.767 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.052 7.908 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.315 9.351 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.727 7.146 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.166 6.387 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.907 6.235 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.310 7.573 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.161 8.171 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.931 9.427 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.609 9.322 -1.955 1.00 0.00 H new ATOM 1648 N THR A 105 -5.645 9.835 -1.067 1.00 0.00 N ATOM 1649 CA THR A 105 -6.798 10.726 -1.069 1.00 0.00 C ATOM 1650 C THR A 105 -6.756 11.684 0.117 1.00 0.00 C ATOM 1651 O THR A 105 -7.205 12.826 0.020 1.00 0.00 O ATOM 1652 CB THR A 105 -8.119 9.935 -1.028 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.205 10.773 -1.440 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.387 9.401 0.371 1.00 0.00 C ATOM 0 H THR A 105 -5.879 8.842 -1.070 1.00 0.00 H new ATOM 0 HA THR A 105 -6.753 11.298 -1.996 1.00 0.00 H new ATOM 0 HB THR A 105 -8.032 9.091 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.041 10.262 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.325 8.846 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.573 8.740 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.455 10.233 1.071 1.00 0.00 H new