USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 40 SER OG : rot -174:sc= 0.104 USER MOD Set 1.2: A 78 CYS SG : rot 180:sc= -4.47! USER MOD Set 2.1: A 31 CYS SG : rot -139:sc= 0.212 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -6.9! C(o=-9.2!,f=-13!) USER MOD Set 2.3: A 86 CYS SG : rot 80:sc= -2.74! USER MOD Set 2.4: A 89 CYS SG : rot 127:sc= 0.223 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -164:sc= -1.14! USER MOD Single : A 37 THR OG1 : rot 58:sc= -2.23! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.273 (180deg=-1.17) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.139 -1.778 -6.281 1.00 0.00 N ATOM 29 CA ALA A 18 4.335 -1.841 -7.103 1.00 0.00 C ATOM 30 C ALA A 18 5.133 -3.095 -6.740 1.00 0.00 C ATOM 31 O ALA A 18 5.495 -3.880 -7.615 1.00 0.00 O ATOM 32 CB ALA A 18 5.149 -0.559 -6.920 1.00 0.00 C ATOM 0 HA ALA A 18 4.072 -1.912 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.046 -0.607 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.548 0.300 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.434 -0.455 -5.873 1.00 0.00 H new ATOM 38 N VAL A 19 5.382 -3.245 -5.447 1.00 0.00 N ATOM 39 CA VAL A 19 6.131 -4.390 -4.957 1.00 0.00 C ATOM 40 C VAL A 19 5.455 -5.677 -5.434 1.00 0.00 C ATOM 41 O VAL A 19 6.085 -6.509 -6.085 1.00 0.00 O ATOM 42 CB VAL A 19 6.266 -4.315 -3.435 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.894 -4.201 -2.767 1.00 0.00 C ATOM 44 CG2 VAL A 19 7.042 -5.517 -2.893 1.00 0.00 C ATOM 0 H VAL A 19 5.078 -2.593 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 19 7.144 -4.385 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 19 6.831 -3.415 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.019 -4.149 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.392 -3.299 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.292 -5.073 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.123 -5.439 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.516 -6.436 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.040 -5.534 -3.332 1.00 0.00 H new ATOM 54 N TYR A 20 4.181 -5.801 -5.091 1.00 0.00 N ATOM 55 CA TYR A 20 3.412 -6.972 -5.476 1.00 0.00 C ATOM 56 C TYR A 20 3.579 -7.272 -6.967 1.00 0.00 C ATOM 57 O TYR A 20 3.617 -8.434 -7.370 1.00 0.00 O ATOM 58 CB TYR A 20 1.948 -6.627 -5.198 1.00 0.00 C ATOM 59 CG TYR A 20 1.435 -7.131 -3.848 1.00 0.00 C ATOM 60 CD1 TYR A 20 2.327 -7.419 -2.834 1.00 0.00 C ATOM 61 CD2 TYR A 20 0.081 -7.299 -3.643 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.844 -7.894 -1.564 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.402 -7.775 -2.373 1.00 0.00 C ATOM 64 CZ TYR A 20 0.503 -8.048 -1.396 1.00 0.00 C ATOM 65 OH TYR A 20 0.047 -8.497 -0.195 1.00 0.00 O ATOM 0 H TYR A 20 3.662 -5.109 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 20 3.747 -7.849 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.826 -5.545 -5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.329 -7.048 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.387 -7.288 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.617 -7.073 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.531 -8.123 -0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.459 -7.912 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.931 -8.558 -0.218 1.00 0.00 H new ATOM 75 N ILE A 21 3.673 -6.204 -7.745 1.00 0.00 N ATOM 76 CA ILE A 21 3.835 -6.338 -9.183 1.00 0.00 C ATOM 77 C ILE A 21 5.171 -7.023 -9.480 1.00 0.00 C ATOM 78 O ILE A 21 5.217 -8.011 -10.211 1.00 0.00 O ATOM 79 CB ILE A 21 3.674 -4.980 -9.869 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.280 -4.839 -10.485 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.781 -4.752 -10.900 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.049 -5.895 -11.567 1.00 0.00 C ATOM 0 H ILE A 21 3.640 -5.242 -7.407 1.00 0.00 H new ATOM 0 HA ILE A 21 3.052 -6.973 -9.597 1.00 0.00 H new ATOM 0 HB ILE A 21 3.773 -4.201 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.523 -4.939 -9.707 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.167 -3.843 -10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.643 -3.780 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.751 -4.780 -10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.738 -5.534 -11.658 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.051 -5.772 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.793 -5.777 -12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.138 -6.889 -11.130 1.00 0.00 H new ATOM 94 N ALA A 22 6.225 -6.470 -8.898 1.00 0.00 N ATOM 95 CA ALA A 22 7.558 -7.014 -9.092 1.00 0.00 C ATOM 96 C ALA A 22 7.553 -8.502 -8.735 1.00 0.00 C ATOM 97 O ALA A 22 7.964 -9.338 -9.539 1.00 0.00 O ATOM 98 CB ALA A 22 8.561 -6.218 -8.255 1.00 0.00 C ATOM 0 H ALA A 22 6.183 -5.651 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 22 7.861 -6.925 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.561 -6.626 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.547 -5.173 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.291 -6.287 -7.201 1.00 0.00 H new ATOM 104 N ILE A 23 7.083 -8.788 -7.530 1.00 0.00 N ATOM 105 CA ILE A 23 7.019 -10.160 -7.057 1.00 0.00 C ATOM 106 C ILE A 23 5.999 -10.936 -7.894 1.00 0.00 C ATOM 107 O ILE A 23 6.017 -12.166 -7.917 1.00 0.00 O ATOM 108 CB ILE A 23 6.736 -10.197 -5.554 1.00 0.00 C ATOM 109 CG1 ILE A 23 6.187 -11.561 -5.133 1.00 0.00 C ATOM 110 CG2 ILE A 23 5.808 -9.053 -5.143 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.660 -11.534 -5.044 1.00 0.00 C ATOM 0 H ILE A 23 6.743 -8.092 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 23 7.982 -10.653 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 23 7.678 -10.053 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.500 -12.320 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.606 -11.843 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.623 -9.102 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.276 -8.099 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.863 -9.141 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.296 -12.516 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.351 -10.791 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.243 -11.275 -6.017 1.00 0.00 H new ATOM 123 N GLU A 24 5.135 -10.185 -8.561 1.00 0.00 N ATOM 124 CA GLU A 24 4.110 -10.787 -9.396 1.00 0.00 C ATOM 125 C GLU A 24 4.545 -10.774 -10.863 1.00 0.00 C ATOM 126 O GLU A 24 3.818 -11.248 -11.734 1.00 0.00 O ATOM 127 CB GLU A 24 2.768 -10.074 -9.217 1.00 0.00 C ATOM 128 CG GLU A 24 2.127 -10.440 -7.876 1.00 0.00 C ATOM 129 CD GLU A 24 1.129 -9.368 -7.434 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.808 -9.275 -6.240 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.685 -8.613 -8.382 1.00 0.00 O ATOM 0 H GLU A 24 5.124 -9.165 -8.540 1.00 0.00 H new ATOM 0 HA GLU A 24 3.978 -11.823 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.915 -8.995 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.096 -10.346 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.620 -11.401 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.902 -10.555 -7.118 1.00 0.00 H new ATOM 139 N ALA A 25 5.731 -10.228 -11.090 1.00 0.00 N ATOM 140 CA ALA A 25 6.272 -10.148 -12.436 1.00 0.00 C ATOM 141 C ALA A 25 6.653 -11.551 -12.913 1.00 0.00 C ATOM 142 O ALA A 25 7.054 -11.733 -14.061 1.00 0.00 O ATOM 143 CB ALA A 25 7.460 -9.184 -12.452 1.00 0.00 C ATOM 0 H ALA A 25 6.332 -9.837 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 25 5.525 -9.757 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.866 -9.124 -13.462 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.130 -8.195 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.231 -9.546 -11.772 1.00 0.00 H new ATOM 149 N GLY A 26 6.513 -12.507 -12.006 1.00 0.00 N ATOM 150 CA GLY A 26 6.838 -13.888 -12.319 1.00 0.00 C ATOM 151 C GLY A 26 7.714 -14.507 -11.228 1.00 0.00 C ATOM 152 O GLY A 26 8.091 -15.674 -11.317 1.00 0.00 O ATOM 0 H GLY A 26 6.179 -12.352 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.920 -14.466 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.356 -13.935 -13.277 1.00 0.00 H new ATOM 156 N THR A 27 8.014 -13.696 -10.224 1.00 0.00 N ATOM 157 CA THR A 27 8.839 -14.149 -9.117 1.00 0.00 C ATOM 158 C THR A 27 8.221 -15.386 -8.463 1.00 0.00 C ATOM 159 O THR A 27 8.921 -16.356 -8.176 1.00 0.00 O ATOM 160 CB THR A 27 9.019 -12.976 -8.151 1.00 0.00 C ATOM 161 OG1 THR A 27 10.306 -12.456 -8.473 1.00 0.00 O ATOM 162 CG2 THR A 27 9.154 -13.431 -6.697 1.00 0.00 C ATOM 0 H THR A 27 7.700 -12.728 -10.154 1.00 0.00 H new ATOM 0 HA THR A 27 9.826 -14.460 -9.460 1.00 0.00 H new ATOM 0 HB THR A 27 8.171 -12.297 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.614 -11.873 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.279 -12.560 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.257 -13.975 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.022 -14.083 -6.599 1.00 0.00 H new ATOM 170 N LEU A 28 6.916 -15.312 -8.245 1.00 0.00 N ATOM 171 CA LEU A 28 6.196 -16.413 -7.630 1.00 0.00 C ATOM 172 C LEU A 28 4.846 -16.588 -8.328 1.00 0.00 C ATOM 173 O LEU A 28 4.480 -15.788 -9.188 1.00 0.00 O ATOM 174 CB LEU A 28 6.084 -16.203 -6.119 1.00 0.00 C ATOM 175 CG LEU A 28 5.550 -14.842 -5.668 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.024 -14.862 -5.557 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.214 -14.396 -4.364 1.00 0.00 C ATOM 0 H LEU A 28 6.339 -14.506 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 28 6.745 -17.346 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.435 -16.979 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.070 -16.348 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 28 5.808 -14.105 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.670 -13.883 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.592 -15.103 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.722 -15.615 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.816 -13.426 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.009 -15.128 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.291 -14.316 -4.513 1.00 0.00 H new ATOM 189 N ALA A 29 4.141 -17.637 -7.931 1.00 0.00 N ATOM 190 CA ALA A 29 2.839 -17.926 -8.507 1.00 0.00 C ATOM 191 C ALA A 29 1.886 -18.383 -7.401 1.00 0.00 C ATOM 192 O ALA A 29 2.322 -18.716 -6.300 1.00 0.00 O ATOM 193 CB ALA A 29 2.992 -18.972 -9.614 1.00 0.00 C ATOM 0 H ALA A 29 4.447 -18.298 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 29 2.412 -17.031 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.015 -19.189 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.655 -18.587 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.415 -19.885 -9.196 1.00 0.00 H new ATOM 199 N GLU A 30 0.603 -18.384 -7.732 1.00 0.00 N ATOM 200 CA GLU A 30 -0.415 -18.794 -6.780 1.00 0.00 C ATOM 201 C GLU A 30 -1.713 -19.145 -7.510 1.00 0.00 C ATOM 202 O GLU A 30 -2.037 -18.543 -8.532 1.00 0.00 O ATOM 203 CB GLU A 30 -0.653 -17.708 -5.729 1.00 0.00 C ATOM 204 CG GLU A 30 -1.043 -16.384 -6.388 1.00 0.00 C ATOM 205 CD GLU A 30 0.192 -15.522 -6.661 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.326 -15.990 -6.483 1.00 0.00 O ATOM 207 OE2 GLU A 30 -0.059 -14.326 -7.073 1.00 0.00 O ATOM 0 H GLU A 30 0.245 -18.107 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.061 -19.684 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.441 -18.024 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.249 -17.570 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.568 -16.580 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.734 -15.842 -5.742 1.00 0.00 H new ATOM 215 N CYS A 31 -2.421 -20.118 -6.956 1.00 0.00 N ATOM 216 CA CYS A 31 -3.677 -20.557 -7.541 1.00 0.00 C ATOM 217 C CYS A 31 -4.637 -19.366 -7.565 1.00 0.00 C ATOM 218 O CYS A 31 -4.958 -18.801 -6.521 1.00 0.00 O ATOM 219 CB CYS A 31 -4.267 -21.750 -6.787 1.00 0.00 C ATOM 220 SG CYS A 31 -3.969 -23.293 -7.725 1.00 0.00 S ATOM 0 H CYS A 31 -2.149 -20.615 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.504 -20.905 -8.559 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.817 -21.824 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.337 -21.605 -6.640 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.033 -24.039 -7.683 1.00 0.00 H new ATOM 225 N GLU A 32 -5.069 -19.019 -8.769 1.00 0.00 N ATOM 226 CA GLU A 32 -5.986 -17.905 -8.943 1.00 0.00 C ATOM 227 C GLU A 32 -7.391 -18.298 -8.481 1.00 0.00 C ATOM 228 O GLU A 32 -8.313 -17.484 -8.527 1.00 0.00 O ATOM 229 CB GLU A 32 -6.000 -17.429 -10.397 1.00 0.00 C ATOM 230 CG GLU A 32 -6.620 -18.485 -11.314 1.00 0.00 C ATOM 231 CD GLU A 32 -5.551 -19.436 -11.856 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.776 -20.654 -11.912 1.00 0.00 O ATOM 233 OE2 GLU A 32 -4.454 -18.869 -12.228 1.00 0.00 O ATOM 0 H GLU A 32 -4.801 -19.490 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.641 -17.075 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.564 -16.499 -10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.982 -17.212 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.372 -19.052 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.132 -17.997 -12.143 1.00 0.00 H new ATOM 241 N VAL A 33 -7.510 -19.544 -8.047 1.00 0.00 N ATOM 242 CA VAL A 33 -8.787 -20.054 -7.578 1.00 0.00 C ATOM 243 C VAL A 33 -8.751 -20.181 -6.053 1.00 0.00 C ATOM 244 O VAL A 33 -9.787 -20.103 -5.395 1.00 0.00 O ATOM 245 CB VAL A 33 -9.114 -21.373 -8.280 1.00 0.00 C ATOM 246 CG1 VAL A 33 -10.410 -21.258 -9.086 1.00 0.00 C ATOM 247 CG2 VAL A 33 -7.954 -21.823 -9.170 1.00 0.00 C ATOM 0 H VAL A 33 -6.743 -20.215 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.590 -19.361 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.262 -22.133 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.620 -22.209 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.233 -21.004 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.302 -20.478 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.213 -22.763 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.760 -21.063 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.061 -21.964 -8.561 1.00 0.00 H new ATOM 257 N HIS A 34 -7.547 -20.377 -5.536 1.00 0.00 N ATOM 258 CA HIS A 34 -7.362 -20.516 -4.102 1.00 0.00 C ATOM 259 C HIS A 34 -6.858 -19.195 -3.519 1.00 0.00 C ATOM 260 O HIS A 34 -5.653 -18.946 -3.484 1.00 0.00 O ATOM 261 CB HIS A 34 -6.438 -21.694 -3.785 1.00 0.00 C ATOM 262 CG HIS A 34 -6.746 -22.945 -4.573 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.729 -24.209 -4.011 1.00 0.00 N ATOM 264 CD2 HIS A 34 -7.080 -23.112 -5.885 1.00 0.00 C ATOM 265 CE1 HIS A 34 -7.038 -25.090 -4.951 1.00 0.00 C ATOM 266 NE2 HIS A 34 -7.255 -24.408 -6.112 1.00 0.00 N ATOM 0 H HIS A 34 -6.690 -20.443 -6.085 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.318 -20.741 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.408 -21.398 -3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.507 -21.921 -2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.184 -22.323 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.106 -26.160 -4.821 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.510 -24.825 -7.007 1.00 0.00 H new ATOM 274 N GLU A 35 -7.805 -18.381 -3.074 1.00 0.00 N ATOM 275 CA GLU A 35 -7.472 -17.091 -2.494 1.00 0.00 C ATOM 276 C GLU A 35 -6.766 -17.280 -1.150 1.00 0.00 C ATOM 277 O GLU A 35 -7.329 -17.862 -0.225 1.00 0.00 O ATOM 278 CB GLU A 35 -8.721 -16.221 -2.340 1.00 0.00 C ATOM 279 CG GLU A 35 -9.006 -15.438 -3.623 1.00 0.00 C ATOM 280 CD GLU A 35 -9.963 -14.275 -3.354 1.00 0.00 C ATOM 281 OE1 GLU A 35 -9.858 -13.614 -2.311 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.840 -14.067 -4.277 1.00 0.00 O ATOM 0 H GLU A 35 -8.803 -18.590 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.791 -16.575 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.578 -16.849 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.586 -15.528 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.072 -15.057 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.437 -16.103 -4.371 1.00 0.00 H new ATOM 290 N GLY A 36 -5.542 -16.777 -1.085 1.00 0.00 N ATOM 291 CA GLY A 36 -4.752 -16.883 0.130 1.00 0.00 C ATOM 292 C GLY A 36 -3.600 -17.873 -0.049 1.00 0.00 C ATOM 293 O GLY A 36 -2.538 -17.711 0.550 1.00 0.00 O ATOM 0 H GLY A 36 -5.078 -16.295 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.356 -15.903 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.388 -17.205 0.954 1.00 0.00 H new ATOM 297 N THR A 37 -3.849 -18.877 -0.877 1.00 0.00 N ATOM 298 CA THR A 37 -2.845 -19.894 -1.143 1.00 0.00 C ATOM 299 C THR A 37 -1.882 -19.421 -2.233 1.00 0.00 C ATOM 300 O THR A 37 -2.311 -18.951 -3.285 1.00 0.00 O ATOM 301 CB THR A 37 -3.571 -21.194 -1.496 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.892 -20.775 -1.828 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.762 -22.106 -0.283 1.00 0.00 C ATOM 0 H THR A 37 -4.731 -19.008 -1.372 1.00 0.00 H new ATOM 0 HA THR A 37 -2.226 -20.078 -0.265 1.00 0.00 H new ATOM 0 HB THR A 37 -3.010 -21.726 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.855 -20.124 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.282 -23.014 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.789 -22.368 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.352 -21.587 0.473 1.00 0.00 H new ATOM 311 N TYR A 38 -0.596 -19.560 -1.943 1.00 0.00 N ATOM 312 CA TYR A 38 0.432 -19.152 -2.885 1.00 0.00 C ATOM 313 C TYR A 38 1.609 -20.129 -2.869 1.00 0.00 C ATOM 314 O TYR A 38 1.616 -21.086 -2.095 1.00 0.00 O ATOM 315 CB TYR A 38 0.917 -17.780 -2.413 1.00 0.00 C ATOM 316 CG TYR A 38 -0.029 -16.631 -2.766 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.221 -16.485 -2.087 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.310 -15.740 -3.764 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.111 -15.403 -2.419 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.580 -14.657 -4.096 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.747 -14.542 -3.407 1.00 0.00 C ATOM 322 OH TYR A 38 -2.588 -13.521 -3.721 1.00 0.00 O ATOM 0 H TYR A 38 -0.243 -19.950 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 38 0.035 -19.128 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.053 -17.806 -1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.894 -17.581 -2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.487 -17.182 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.243 -15.855 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.047 -15.278 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.326 -13.952 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.198 -12.986 -4.444 1.00 0.00 H new ATOM 332 N PHE A 39 2.576 -19.855 -3.732 1.00 0.00 N ATOM 333 CA PHE A 39 3.756 -20.698 -3.827 1.00 0.00 C ATOM 334 C PHE A 39 4.846 -20.024 -4.663 1.00 0.00 C ATOM 335 O PHE A 39 4.680 -19.831 -5.867 1.00 0.00 O ATOM 336 CB PHE A 39 3.326 -21.993 -4.519 1.00 0.00 C ATOM 337 CG PHE A 39 3.059 -21.838 -6.018 1.00 0.00 C ATOM 338 CD1 PHE A 39 1.816 -21.501 -6.456 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.064 -22.038 -6.912 1.00 0.00 C ATOM 340 CE1 PHE A 39 1.568 -21.358 -7.846 1.00 0.00 C ATOM 341 CE2 PHE A 39 3.816 -21.894 -8.303 1.00 0.00 C ATOM 342 CZ PHE A 39 2.573 -21.557 -8.741 1.00 0.00 C ATOM 0 H PHE A 39 2.567 -19.061 -4.372 1.00 0.00 H new ATOM 0 HA PHE A 39 4.162 -20.884 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.102 -22.745 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.424 -22.369 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.018 -21.342 -5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.051 -22.306 -6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.581 -21.091 -8.193 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.614 -22.052 -9.013 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.384 -21.447 -9.799 1.00 0.00 H new ATOM 352 N SER A 40 5.937 -19.685 -3.992 1.00 0.00 N ATOM 353 CA SER A 40 7.054 -19.037 -4.658 1.00 0.00 C ATOM 354 C SER A 40 8.065 -20.086 -5.126 1.00 0.00 C ATOM 355 O SER A 40 8.234 -21.120 -4.482 1.00 0.00 O ATOM 356 CB SER A 40 7.731 -18.021 -3.736 1.00 0.00 C ATOM 357 OG SER A 40 7.863 -18.514 -2.405 1.00 0.00 O ATOM 0 H SER A 40 6.071 -19.847 -2.994 1.00 0.00 H new ATOM 0 HA SER A 40 6.670 -18.500 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.716 -17.773 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.151 -17.098 -3.725 1.00 0.00 H new ATOM 0 HG SER A 40 8.218 -17.806 -1.828 1.00 0.00 H new ATOM 363 N ASP A 41 8.710 -19.783 -6.243 1.00 0.00 N ATOM 364 CA ASP A 41 9.700 -20.687 -6.804 1.00 0.00 C ATOM 365 C ASP A 41 10.580 -21.234 -5.678 1.00 0.00 C ATOM 366 O ASP A 41 11.537 -20.583 -5.262 1.00 0.00 O ATOM 367 CB ASP A 41 10.604 -19.962 -7.802 1.00 0.00 C ATOM 368 CG ASP A 41 10.910 -20.741 -9.082 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.620 -21.757 -9.058 1.00 0.00 O ATOM 370 OD2 ASP A 41 10.377 -20.259 -10.154 1.00 0.00 O ATOM 0 H ASP A 41 8.566 -18.924 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 41 9.172 -21.492 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.135 -19.016 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.545 -19.721 -7.308 1.00 0.00 H new ATOM 376 N SER A 42 10.225 -22.425 -5.219 1.00 0.00 N ATOM 377 CA SER A 42 10.972 -23.067 -4.150 1.00 0.00 C ATOM 378 C SER A 42 12.333 -23.534 -4.669 1.00 0.00 C ATOM 379 O SER A 42 12.432 -24.054 -5.780 1.00 0.00 O ATOM 380 CB SER A 42 10.192 -24.247 -3.567 1.00 0.00 C ATOM 381 OG SER A 42 10.306 -25.415 -4.376 1.00 0.00 O ATOM 0 H SER A 42 9.431 -22.962 -5.567 1.00 0.00 H new ATOM 0 HA SER A 42 11.126 -22.338 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.559 -24.464 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.141 -23.974 -3.470 1.00 0.00 H new ATOM 0 HG SER A 42 9.796 -26.146 -3.969 1.00 0.00 H new ATOM 387 N GLY A 43 13.347 -23.333 -3.842 1.00 0.00 N ATOM 388 CA GLY A 43 14.698 -23.727 -4.204 1.00 0.00 C ATOM 389 C GLY A 43 15.576 -22.501 -4.462 1.00 0.00 C ATOM 390 O GLY A 43 16.793 -22.556 -4.288 1.00 0.00 O ATOM 0 H GLY A 43 13.261 -22.902 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.132 -24.328 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.671 -24.354 -5.095 1.00 0.00 H new ATOM 394 N ASP A 44 14.925 -21.423 -4.875 1.00 0.00 N ATOM 395 CA ASP A 44 15.632 -20.186 -5.160 1.00 0.00 C ATOM 396 C ASP A 44 14.754 -18.999 -4.758 1.00 0.00 C ATOM 397 O ASP A 44 14.064 -18.420 -5.596 1.00 0.00 O ATOM 398 CB ASP A 44 15.943 -20.060 -6.653 1.00 0.00 C ATOM 399 CG ASP A 44 16.839 -21.162 -7.221 1.00 0.00 C ATOM 400 OD1 ASP A 44 16.352 -22.202 -7.690 1.00 0.00 O ATOM 401 OD2 ASP A 44 18.104 -20.917 -7.170 1.00 0.00 O ATOM 0 H ASP A 44 13.916 -21.381 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 44 16.565 -20.193 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.003 -20.055 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.421 -19.097 -6.829 1.00 0.00 H new ATOM 407 N ILE A 45 14.809 -18.670 -3.476 1.00 0.00 N ATOM 408 CA ILE A 45 14.028 -17.563 -2.953 1.00 0.00 C ATOM 409 C ILE A 45 14.631 -16.244 -3.441 1.00 0.00 C ATOM 410 O ILE A 45 13.924 -15.245 -3.572 1.00 0.00 O ATOM 411 CB ILE A 45 13.914 -17.659 -1.430 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.743 -18.558 -1.024 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.815 -16.270 -0.798 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.450 -17.750 -0.897 1.00 0.00 C ATOM 0 H ILE A 45 15.383 -19.151 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 45 13.006 -17.607 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 45 14.824 -18.122 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.612 -19.347 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.966 -19.046 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.735 -16.368 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.706 -15.693 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.933 -15.757 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.634 -18.412 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.577 -16.978 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.217 -17.284 -1.854 1.00 0.00 H new ATOM 426 N SER A 46 15.930 -16.283 -3.697 1.00 0.00 N ATOM 427 CA SER A 46 16.636 -15.103 -4.168 1.00 0.00 C ATOM 428 C SER A 46 16.148 -14.726 -5.569 1.00 0.00 C ATOM 429 O SER A 46 16.230 -13.565 -5.967 1.00 0.00 O ATOM 430 CB SER A 46 18.148 -15.333 -4.177 1.00 0.00 C ATOM 431 OG SER A 46 18.662 -15.556 -2.866 1.00 0.00 O ATOM 0 H SER A 46 16.513 -17.113 -3.587 1.00 0.00 H new ATOM 0 HA SER A 46 16.425 -14.282 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.381 -16.191 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.644 -14.468 -4.619 1.00 0.00 H new ATOM 0 HG SER A 46 19.630 -15.700 -2.914 1.00 0.00 H new ATOM 437 N GLU A 47 15.652 -15.729 -6.278 1.00 0.00 N ATOM 438 CA GLU A 47 15.151 -15.518 -7.625 1.00 0.00 C ATOM 439 C GLU A 47 14.031 -14.475 -7.618 1.00 0.00 C ATOM 440 O GLU A 47 13.815 -13.784 -8.612 1.00 0.00 O ATOM 441 CB GLU A 47 14.673 -16.832 -8.245 1.00 0.00 C ATOM 442 CG GLU A 47 13.149 -16.951 -8.171 1.00 0.00 C ATOM 443 CD GLU A 47 12.668 -18.252 -8.816 1.00 0.00 C ATOM 444 OE1 GLU A 47 11.648 -18.255 -9.521 1.00 0.00 O ATOM 445 OE2 GLU A 47 13.396 -19.287 -8.563 1.00 0.00 O ATOM 0 H GLU A 47 15.586 -16.691 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 47 15.968 -15.141 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.995 -16.886 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.133 -17.672 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.828 -16.917 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.690 -16.100 -8.674 1.00 0.00 H new ATOM 453 N ALA A 48 13.348 -14.396 -6.485 1.00 0.00 N ATOM 454 CA ALA A 48 12.256 -13.449 -6.335 1.00 0.00 C ATOM 455 C ALA A 48 12.791 -12.027 -6.514 1.00 0.00 C ATOM 456 O ALA A 48 12.196 -11.221 -7.228 1.00 0.00 O ATOM 457 CB ALA A 48 11.586 -13.653 -4.975 1.00 0.00 C ATOM 0 H ALA A 48 13.530 -14.972 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 48 11.497 -13.614 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.767 -12.943 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.197 -14.669 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.316 -13.493 -4.182 1.00 0.00 H new ATOM 463 N GLU A 49 13.908 -11.762 -5.853 1.00 0.00 N ATOM 464 CA GLU A 49 14.529 -10.451 -5.930 1.00 0.00 C ATOM 465 C GLU A 49 15.085 -10.208 -7.335 1.00 0.00 C ATOM 466 O GLU A 49 14.905 -9.131 -7.900 1.00 0.00 O ATOM 467 CB GLU A 49 15.626 -10.301 -4.874 1.00 0.00 C ATOM 468 CG GLU A 49 15.100 -10.660 -3.482 1.00 0.00 C ATOM 469 CD GLU A 49 16.201 -10.526 -2.428 1.00 0.00 C ATOM 470 OE1 GLU A 49 16.475 -11.485 -1.692 1.00 0.00 O ATOM 471 OE2 GLU A 49 16.781 -9.374 -2.390 1.00 0.00 O ATOM 0 H GLU A 49 14.399 -12.433 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 49 13.768 -9.698 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.469 -10.945 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.997 -9.276 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.265 -10.008 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.718 -11.681 -3.486 1.00 0.00 H new ATOM 479 N GLU A 50 15.748 -11.229 -7.858 1.00 0.00 N ATOM 480 CA GLU A 50 16.331 -11.140 -9.186 1.00 0.00 C ATOM 481 C GLU A 50 15.262 -10.754 -10.211 1.00 0.00 C ATOM 482 O GLU A 50 15.385 -9.735 -10.888 1.00 0.00 O ATOM 483 CB GLU A 50 17.013 -12.453 -9.574 1.00 0.00 C ATOM 484 CG GLU A 50 17.855 -12.281 -10.840 1.00 0.00 C ATOM 485 CD GLU A 50 18.992 -11.283 -10.611 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.221 -10.855 -9.470 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.651 -10.954 -11.670 1.00 0.00 O ATOM 0 H GLU A 50 15.894 -12.122 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 50 17.094 -10.361 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.647 -12.793 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.260 -13.224 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.267 -13.244 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.222 -11.936 -11.658 1.00 0.00 H new ATOM 495 N LEU A 51 14.237 -11.589 -10.291 1.00 0.00 N ATOM 496 CA LEU A 51 13.147 -11.348 -11.222 1.00 0.00 C ATOM 497 C LEU A 51 12.497 -10.001 -10.901 1.00 0.00 C ATOM 498 O LEU A 51 12.059 -9.289 -11.804 1.00 0.00 O ATOM 499 CB LEU A 51 12.165 -12.522 -11.212 1.00 0.00 C ATOM 500 CG LEU A 51 12.760 -13.897 -11.520 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.908 -15.012 -10.911 1.00 0.00 C ATOM 502 CD2 LEU A 51 12.959 -14.084 -13.025 1.00 0.00 C ATOM 0 H LEU A 51 14.138 -12.433 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 51 13.524 -11.286 -12.243 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.691 -12.565 -10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.378 -12.318 -11.938 1.00 0.00 H new ATOM 0 HG LEU A 51 13.745 -13.955 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.353 -15.979 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.862 -14.886 -9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.900 -14.967 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.383 -15.070 -13.216 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.998 -13.998 -13.533 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.638 -13.318 -13.400 1.00 0.00 H new ATOM 514 N ALA A 52 12.456 -9.691 -9.614 1.00 0.00 N ATOM 515 CA ALA A 52 11.867 -8.441 -9.163 1.00 0.00 C ATOM 516 C ALA A 52 12.654 -7.270 -9.754 1.00 0.00 C ATOM 517 O ALA A 52 12.067 -6.294 -10.219 1.00 0.00 O ATOM 518 CB ALA A 52 11.839 -8.412 -7.634 1.00 0.00 C ATOM 0 H ALA A 52 12.821 -10.284 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 52 10.837 -8.355 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.397 -7.475 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.244 -9.247 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.856 -8.493 -7.250 1.00 0.00 H new ATOM 524 N ARG A 53 13.972 -7.404 -9.715 1.00 0.00 N ATOM 525 CA ARG A 53 14.846 -6.369 -10.241 1.00 0.00 C ATOM 526 C ARG A 53 14.744 -6.313 -11.767 1.00 0.00 C ATOM 527 O ARG A 53 14.958 -5.262 -12.369 1.00 0.00 O ATOM 528 CB ARG A 53 16.301 -6.622 -9.842 1.00 0.00 C ATOM 529 CG ARG A 53 17.152 -5.367 -10.048 1.00 0.00 C ATOM 530 CD ARG A 53 17.805 -5.368 -11.432 1.00 0.00 C ATOM 531 NE ARG A 53 19.113 -4.679 -11.374 1.00 0.00 N ATOM 532 CZ ARG A 53 19.259 -3.348 -11.305 1.00 0.00 C ATOM 533 NH1 ARG A 53 18.178 -2.556 -11.285 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.485 -2.810 -11.257 1.00 0.00 N ATOM 0 H ARG A 53 14.456 -8.214 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 53 14.526 -5.417 -9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.347 -6.930 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.707 -7.442 -10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.530 -4.479 -9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.922 -5.315 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.939 -6.392 -11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.154 -4.870 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 53 19.956 -5.252 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.245 -2.966 -11.322 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.289 -1.543 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.308 -3.413 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.596 -1.797 -11.205 1.00 0.00 H new ATOM 548 N GLU A 54 14.418 -7.458 -12.349 1.00 0.00 N ATOM 549 CA GLU A 54 14.286 -7.553 -13.792 1.00 0.00 C ATOM 550 C GLU A 54 13.075 -6.749 -14.269 1.00 0.00 C ATOM 551 O GLU A 54 13.198 -5.894 -15.145 1.00 0.00 O ATOM 552 CB GLU A 54 14.186 -9.013 -14.239 1.00 0.00 C ATOM 553 CG GLU A 54 15.555 -9.695 -14.198 1.00 0.00 C ATOM 554 CD GLU A 54 15.575 -10.937 -15.090 1.00 0.00 C ATOM 555 OE1 GLU A 54 16.176 -10.912 -16.175 1.00 0.00 O ATOM 556 OE2 GLU A 54 14.939 -11.956 -14.621 1.00 0.00 O ATOM 0 H GLU A 54 14.241 -8.328 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 54 15.181 -7.129 -14.247 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.490 -9.548 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.782 -9.060 -15.250 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.324 -8.995 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.795 -9.975 -13.172 1.00 0.00 H new ATOM 564 N LYS A 55 11.932 -7.051 -13.670 1.00 0.00 N ATOM 565 CA LYS A 55 10.699 -6.367 -14.022 1.00 0.00 C ATOM 566 C LYS A 55 10.753 -4.929 -13.502 1.00 0.00 C ATOM 567 O LYS A 55 10.274 -4.008 -14.162 1.00 0.00 O ATOM 568 CB LYS A 55 9.487 -7.157 -13.524 1.00 0.00 C ATOM 569 CG LYS A 55 8.190 -6.385 -13.772 1.00 0.00 C ATOM 570 CD LYS A 55 7.762 -6.488 -15.237 1.00 0.00 C ATOM 571 CE LYS A 55 6.282 -6.139 -15.402 1.00 0.00 C ATOM 572 NZ LYS A 55 5.889 -6.207 -16.828 1.00 0.00 N ATOM 0 H LYS A 55 11.834 -7.760 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 55 10.590 -6.311 -15.105 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.443 -8.121 -14.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.595 -7.362 -12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.401 -6.777 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.329 -5.338 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.368 -5.816 -15.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.944 -7.499 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.672 -6.828 -14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.093 -5.138 -15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.881 -5.967 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.458 -5.532 -17.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.051 -7.169 -17.187 1.00 0.00 H new ATOM 586 N PHE A 56 11.339 -4.781 -12.323 1.00 0.00 N ATOM 587 CA PHE A 56 11.461 -3.471 -11.707 1.00 0.00 C ATOM 588 C PHE A 56 12.305 -2.534 -12.573 1.00 0.00 C ATOM 589 O PHE A 56 11.884 -1.420 -12.881 1.00 0.00 O ATOM 590 CB PHE A 56 12.162 -3.673 -10.362 1.00 0.00 C ATOM 591 CG PHE A 56 12.503 -2.370 -9.636 1.00 0.00 C ATOM 592 CD1 PHE A 56 13.457 -1.541 -10.139 1.00 0.00 C ATOM 593 CD2 PHE A 56 11.852 -2.040 -8.489 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.774 -0.332 -9.466 1.00 0.00 C ATOM 595 CE2 PHE A 56 12.168 -0.830 -7.815 1.00 0.00 C ATOM 596 CZ PHE A 56 13.123 -0.002 -8.318 1.00 0.00 C ATOM 0 H PHE A 56 11.735 -5.547 -11.778 1.00 0.00 H new ATOM 0 HA PHE A 56 10.475 -3.022 -11.589 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.524 -4.279 -9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 56 13.080 -4.238 -10.524 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.973 -1.803 -11.051 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.094 -2.698 -8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.532 0.326 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.651 -0.568 -6.904 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.364 0.918 -7.806 1.00 0.00 H new ATOM 606 N GLU A 57 13.481 -3.021 -12.941 1.00 0.00 N ATOM 607 CA GLU A 57 14.388 -2.241 -13.766 1.00 0.00 C ATOM 608 C GLU A 57 13.780 -2.008 -15.151 1.00 0.00 C ATOM 609 O GLU A 57 13.887 -0.915 -15.704 1.00 0.00 O ATOM 610 CB GLU A 57 15.754 -2.922 -13.875 1.00 0.00 C ATOM 611 CG GLU A 57 15.765 -3.950 -15.008 1.00 0.00 C ATOM 612 CD GLU A 57 17.140 -4.609 -15.137 1.00 0.00 C ATOM 613 OE1 GLU A 57 17.229 -5.794 -15.492 1.00 0.00 O ATOM 614 OE2 GLU A 57 18.139 -3.844 -14.854 1.00 0.00 O ATOM 0 H GLU A 57 13.827 -3.945 -12.683 1.00 0.00 H new ATOM 0 HA GLU A 57 14.538 -1.272 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.525 -2.172 -14.052 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.996 -3.412 -12.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.009 -4.712 -14.820 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.501 -3.464 -15.947 1.00 0.00 H new ATOM 622 N LYS A 58 13.154 -3.054 -15.670 1.00 0.00 N ATOM 623 CA LYS A 58 12.529 -2.977 -16.979 1.00 0.00 C ATOM 624 C LYS A 58 11.146 -2.336 -16.843 1.00 0.00 C ATOM 625 O LYS A 58 10.407 -2.231 -17.820 1.00 0.00 O ATOM 626 CB LYS A 58 12.504 -4.356 -17.643 1.00 0.00 C ATOM 627 CG LYS A 58 13.919 -4.924 -17.780 1.00 0.00 C ATOM 628 CD LYS A 58 13.900 -6.274 -18.498 1.00 0.00 C ATOM 629 CE LYS A 58 13.734 -7.423 -17.501 1.00 0.00 C ATOM 630 NZ LYS A 58 12.300 -7.669 -17.228 1.00 0.00 N ATOM 0 H LYS A 58 13.066 -3.959 -15.208 1.00 0.00 H new ATOM 0 HA LYS A 58 13.113 -2.339 -17.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.890 -5.037 -17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.041 -4.282 -18.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.544 -4.223 -18.333 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.366 -5.039 -16.792 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.084 -6.294 -19.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.826 -6.405 -19.058 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.195 -8.327 -17.899 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.251 -7.184 -16.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.173 -8.644 -16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.966 -7.004 -16.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.752 -7.533 -18.101 1.00 0.00 H new ATOM 754 N VAL A 67 15.615 0.565 -5.542 1.00 0.00 N ATOM 755 CA VAL A 67 15.659 -0.758 -6.140 1.00 0.00 C ATOM 756 C VAL A 67 15.924 -1.798 -5.050 1.00 0.00 C ATOM 757 O VAL A 67 15.182 -2.770 -4.920 1.00 0.00 O ATOM 758 CB VAL A 67 16.698 -0.790 -7.263 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.099 -0.493 -6.722 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.668 -2.131 -8.000 1.00 0.00 C ATOM 0 HA VAL A 67 14.700 -1.003 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 67 16.442 -0.009 -7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.819 -0.522 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 67 18.110 0.496 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.367 -1.241 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.416 -2.127 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.887 -2.936 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.680 -2.286 -8.434 1.00 0.00 H new ATOM 770 N GLU A 68 16.985 -1.558 -4.293 1.00 0.00 N ATOM 771 CA GLU A 68 17.357 -2.461 -3.218 1.00 0.00 C ATOM 772 C GLU A 68 16.209 -2.595 -2.215 1.00 0.00 C ATOM 773 O GLU A 68 16.014 -3.658 -1.628 1.00 0.00 O ATOM 774 CB GLU A 68 18.638 -1.991 -2.525 1.00 0.00 C ATOM 775 CG GLU A 68 19.211 -3.090 -1.628 1.00 0.00 C ATOM 776 CD GLU A 68 20.501 -2.626 -0.949 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.211 -3.442 -0.343 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.757 -1.367 -1.067 1.00 0.00 O ATOM 0 H GLU A 68 17.599 -0.751 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 68 17.555 -3.443 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.377 -1.706 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.428 -1.103 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.477 -3.367 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.409 -3.983 -2.222 1.00 0.00 H new ATOM 786 N GLU A 69 15.479 -1.501 -2.051 1.00 0.00 N ATOM 787 CA GLU A 69 14.355 -1.483 -1.130 1.00 0.00 C ATOM 788 C GLU A 69 13.197 -2.313 -1.689 1.00 0.00 C ATOM 789 O GLU A 69 12.516 -3.015 -0.943 1.00 0.00 O ATOM 790 CB GLU A 69 13.911 -0.049 -0.836 1.00 0.00 C ATOM 791 CG GLU A 69 12.812 -0.024 0.229 1.00 0.00 C ATOM 792 CD GLU A 69 13.286 -0.689 1.523 1.00 0.00 C ATOM 793 OE1 GLU A 69 12.614 -1.595 2.037 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.397 -0.233 1.994 1.00 0.00 O ATOM 0 H GLU A 69 15.644 -0.621 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 69 14.674 -1.930 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.765 0.538 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.547 0.418 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.520 1.007 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.927 -0.538 -0.145 1.00 0.00 H new ATOM 802 N LEU A 70 13.011 -2.204 -2.996 1.00 0.00 N ATOM 803 CA LEU A 70 11.947 -2.936 -3.663 1.00 0.00 C ATOM 804 C LEU A 70 12.251 -4.434 -3.607 1.00 0.00 C ATOM 805 O LEU A 70 11.424 -5.222 -3.150 1.00 0.00 O ATOM 806 CB LEU A 70 11.740 -2.403 -5.082 1.00 0.00 C ATOM 807 CG LEU A 70 10.346 -2.611 -5.680 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.208 -4.015 -6.273 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.257 -2.316 -4.647 1.00 0.00 C ATOM 0 H LEU A 70 13.578 -1.620 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 70 10.999 -2.784 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.959 -1.335 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.470 -2.878 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 70 10.215 -1.902 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.209 -4.137 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.950 -4.152 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.367 -4.757 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.277 -2.471 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.374 -2.984 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.343 -1.282 -4.313 1.00 0.00 H new ATOM 821 N VAL A 71 13.440 -4.782 -4.077 1.00 0.00 N ATOM 822 CA VAL A 71 13.863 -6.172 -4.086 1.00 0.00 C ATOM 823 C VAL A 71 13.727 -6.751 -2.676 1.00 0.00 C ATOM 824 O VAL A 71 13.259 -7.876 -2.506 1.00 0.00 O ATOM 825 CB VAL A 71 15.284 -6.283 -4.644 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.324 -5.892 -6.122 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.261 -5.437 -3.825 1.00 0.00 C ATOM 0 H VAL A 71 14.123 -4.126 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 71 13.223 -6.762 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 71 15.596 -7.325 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.345 -5.979 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.672 -6.555 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.983 -4.863 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.264 -5.533 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.953 -4.392 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.263 -5.782 -2.791 1.00 0.00 H new ATOM 837 N LYS A 72 14.145 -5.956 -1.702 1.00 0.00 N ATOM 838 CA LYS A 72 14.076 -6.376 -0.312 1.00 0.00 C ATOM 839 C LYS A 72 12.613 -6.596 0.077 1.00 0.00 C ATOM 840 O LYS A 72 12.297 -7.522 0.822 1.00 0.00 O ATOM 841 CB LYS A 72 14.808 -5.377 0.586 1.00 0.00 C ATOM 842 CG LYS A 72 14.643 -5.744 2.062 1.00 0.00 C ATOM 843 CD LYS A 72 15.060 -4.582 2.966 1.00 0.00 C ATOM 844 CE LYS A 72 14.294 -4.615 4.290 1.00 0.00 C ATOM 845 NZ LYS A 72 15.106 -4.018 5.374 1.00 0.00 N ATOM 0 H LYS A 72 14.533 -5.024 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 72 14.589 -7.328 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.867 -5.359 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.420 -4.373 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.605 -6.009 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.246 -6.623 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.131 -4.634 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.874 -3.636 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.356 -4.069 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.038 -5.644 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.571 -4.048 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.990 -4.555 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.328 -3.030 5.137 1.00 0.00 H new ATOM 859 N LYS A 73 11.758 -5.728 -0.444 1.00 0.00 N ATOM 860 CA LYS A 73 10.336 -5.816 -0.160 1.00 0.00 C ATOM 861 C LYS A 73 9.732 -6.976 -0.954 1.00 0.00 C ATOM 862 O LYS A 73 8.705 -7.530 -0.566 1.00 0.00 O ATOM 863 CB LYS A 73 9.653 -4.472 -0.421 1.00 0.00 C ATOM 864 CG LYS A 73 8.538 -4.216 0.595 1.00 0.00 C ATOM 865 CD LYS A 73 7.969 -2.804 0.442 1.00 0.00 C ATOM 866 CE LYS A 73 6.548 -2.722 1.002 1.00 0.00 C ATOM 867 NZ LYS A 73 6.576 -2.629 2.478 1.00 0.00 N ATOM 0 H LYS A 73 12.023 -4.960 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 73 10.172 -6.032 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.389 -3.670 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.240 -4.460 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.743 -4.949 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.925 -4.348 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.610 -2.092 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.966 -2.521 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.037 -1.853 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.980 -3.601 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.603 -2.574 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.045 -3.470 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.100 -1.777 2.762 1.00 0.00 H new ATOM 881 N VAL A 74 10.396 -7.309 -2.051 1.00 0.00 N ATOM 882 CA VAL A 74 9.938 -8.394 -2.903 1.00 0.00 C ATOM 883 C VAL A 74 10.100 -9.722 -2.162 1.00 0.00 C ATOM 884 O VAL A 74 9.131 -10.456 -1.976 1.00 0.00 O ATOM 885 CB VAL A 74 10.682 -8.360 -4.239 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.338 -9.584 -5.089 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.387 -7.064 -4.998 1.00 0.00 C ATOM 0 H VAL A 74 11.248 -6.847 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 74 8.879 -8.278 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 74 11.751 -8.389 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.880 -9.535 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.622 -10.490 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.266 -9.600 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.928 -7.065 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.317 -6.992 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.706 -6.211 -4.399 1.00 0.00 H new ATOM 897 N VAL A 75 11.333 -9.991 -1.757 1.00 0.00 N ATOM 898 CA VAL A 75 11.635 -11.218 -1.040 1.00 0.00 C ATOM 899 C VAL A 75 10.873 -11.229 0.287 1.00 0.00 C ATOM 900 O VAL A 75 10.388 -12.273 0.719 1.00 0.00 O ATOM 901 CB VAL A 75 13.148 -11.361 -0.862 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.748 -10.100 -0.237 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.487 -12.600 -0.031 1.00 0.00 C ATOM 0 H VAL A 75 12.135 -9.380 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 75 11.305 -12.086 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 75 13.591 -11.488 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.824 -10.228 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.552 -9.245 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.296 -9.928 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.568 -12.678 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.026 -12.515 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.109 -13.490 -0.534 1.00 0.00 H new ATOM 913 N ALA A 76 10.792 -10.055 0.896 1.00 0.00 N ATOM 914 CA ALA A 76 10.097 -9.916 2.164 1.00 0.00 C ATOM 915 C ALA A 76 8.677 -10.468 2.026 1.00 0.00 C ATOM 916 O ALA A 76 8.262 -11.325 2.805 1.00 0.00 O ATOM 917 CB ALA A 76 10.113 -8.449 2.598 1.00 0.00 C ATOM 0 H ALA A 76 11.196 -9.191 0.534 1.00 0.00 H new ATOM 0 HA ALA A 76 10.600 -10.491 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.591 -8.345 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.144 -8.114 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.615 -7.841 1.843 1.00 0.00 H new ATOM 923 N VAL A 77 7.971 -9.954 1.030 1.00 0.00 N ATOM 924 CA VAL A 77 6.606 -10.385 0.780 1.00 0.00 C ATOM 925 C VAL A 77 6.604 -11.869 0.407 1.00 0.00 C ATOM 926 O VAL A 77 5.733 -12.621 0.842 1.00 0.00 O ATOM 927 CB VAL A 77 5.966 -9.499 -0.291 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.964 -10.198 -1.652 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.549 -9.086 0.115 1.00 0.00 C ATOM 0 H VAL A 77 8.318 -9.243 0.386 1.00 0.00 H new ATOM 0 HA VAL A 77 6.000 -10.275 1.679 1.00 0.00 H new ATOM 0 HB VAL A 77 6.567 -8.594 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.504 -9.547 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.989 -10.419 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.398 -11.127 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.116 -8.457 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.934 -9.976 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.586 -8.530 1.052 1.00 0.00 H new ATOM 939 N CYS A 78 7.589 -12.246 -0.395 1.00 0.00 N ATOM 940 CA CYS A 78 7.712 -13.627 -0.830 1.00 0.00 C ATOM 941 C CYS A 78 7.675 -14.526 0.407 1.00 0.00 C ATOM 942 O CYS A 78 6.914 -15.491 0.454 1.00 0.00 O ATOM 943 CB CYS A 78 8.980 -13.848 -1.659 1.00 0.00 C ATOM 944 SG CYS A 78 8.817 -15.373 -2.656 1.00 0.00 S ATOM 0 H CYS A 78 8.309 -11.619 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 78 6.879 -13.880 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.151 -12.993 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.846 -13.924 -1.001 1.00 0.00 H new ATOM 0 HG CYS A 78 9.897 -15.551 -3.357 1.00 0.00 H new ATOM 950 N GLU A 79 8.507 -14.178 1.377 1.00 0.00 N ATOM 951 CA GLU A 79 8.579 -14.942 2.611 1.00 0.00 C ATOM 952 C GLU A 79 7.352 -14.662 3.481 1.00 0.00 C ATOM 953 O GLU A 79 6.927 -15.517 4.256 1.00 0.00 O ATOM 954 CB GLU A 79 9.871 -14.637 3.371 1.00 0.00 C ATOM 955 CG GLU A 79 9.898 -15.358 4.720 1.00 0.00 C ATOM 956 CD GLU A 79 11.064 -14.869 5.581 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.167 -15.430 5.507 1.00 0.00 O ATOM 958 OE2 GLU A 79 10.793 -13.866 6.346 1.00 0.00 O ATOM 0 H GLU A 79 9.137 -13.377 1.334 1.00 0.00 H new ATOM 0 HA GLU A 79 8.587 -16.002 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.729 -14.944 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.960 -13.562 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.958 -15.189 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.985 -16.433 4.560 1.00 0.00 H new ATOM 966 N GLU A 80 6.816 -13.460 3.324 1.00 0.00 N ATOM 967 CA GLU A 80 5.647 -13.056 4.085 1.00 0.00 C ATOM 968 C GLU A 80 4.423 -13.862 3.646 1.00 0.00 C ATOM 969 O GLU A 80 3.439 -13.954 4.379 1.00 0.00 O ATOM 970 CB GLU A 80 5.393 -11.554 3.945 1.00 0.00 C ATOM 971 CG GLU A 80 4.511 -11.038 5.084 1.00 0.00 C ATOM 972 CD GLU A 80 4.487 -9.508 5.110 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.404 -8.905 5.090 1.00 0.00 O ATOM 974 OE2 GLU A 80 5.647 -8.946 5.152 1.00 0.00 O ATOM 0 H GLU A 80 7.171 -12.753 2.680 1.00 0.00 H new ATOM 0 HA GLU A 80 5.835 -13.262 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.343 -11.019 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.913 -11.350 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.497 -11.419 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.883 -11.416 6.036 1.00 0.00 H new ATOM 982 N LEU A 81 4.523 -14.426 2.451 1.00 0.00 N ATOM 983 CA LEU A 81 3.437 -15.222 1.905 1.00 0.00 C ATOM 984 C LEU A 81 3.521 -16.644 2.463 1.00 0.00 C ATOM 985 O LEU A 81 2.549 -17.395 2.406 1.00 0.00 O ATOM 986 CB LEU A 81 3.443 -15.159 0.376 1.00 0.00 C ATOM 987 CG LEU A 81 3.123 -13.796 -0.240 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.449 -13.956 -1.605 1.00 0.00 C ATOM 989 CD2 LEU A 81 2.286 -12.944 0.716 1.00 0.00 C ATOM 0 H LEU A 81 5.340 -14.347 1.845 1.00 0.00 H new ATOM 0 HA LEU A 81 2.474 -14.815 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.425 -15.474 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.722 -15.884 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 81 4.062 -13.267 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.232 -12.972 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.115 -14.496 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.520 -14.514 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.073 -11.981 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.349 -13.457 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.839 -12.787 1.642 1.00 0.00 H new ATOM 1001 N GLY A 82 4.693 -16.970 2.988 1.00 0.00 N ATOM 1002 CA GLY A 82 4.917 -18.289 3.556 1.00 0.00 C ATOM 1003 C GLY A 82 4.119 -19.354 2.800 1.00 0.00 C ATOM 1004 O GLY A 82 3.409 -20.152 3.410 1.00 0.00 O ATOM 0 H GLY A 82 5.497 -16.344 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.979 -18.530 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.628 -18.290 4.607 1.00 0.00 H new ATOM 1008 N ALA A 83 4.263 -19.332 1.483 1.00 0.00 N ATOM 1009 CA ALA A 83 3.564 -20.285 0.638 1.00 0.00 C ATOM 1010 C ALA A 83 4.513 -20.783 -0.454 1.00 0.00 C ATOM 1011 O ALA A 83 5.160 -19.985 -1.130 1.00 0.00 O ATOM 1012 CB ALA A 83 2.305 -19.632 0.064 1.00 0.00 C ATOM 0 H ALA A 83 4.853 -18.669 0.981 1.00 0.00 H new ATOM 0 HA ALA A 83 3.245 -21.151 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.781 -20.347 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.651 -19.323 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.585 -18.760 -0.527 1.00 0.00 H new ATOM 1018 N GLU A 84 4.566 -22.100 -0.592 1.00 0.00 N ATOM 1019 CA GLU A 84 5.425 -22.714 -1.590 1.00 0.00 C ATOM 1020 C GLU A 84 4.669 -23.816 -2.335 1.00 0.00 C ATOM 1021 O GLU A 84 5.274 -24.774 -2.814 1.00 0.00 O ATOM 1022 CB GLU A 84 6.703 -23.260 -0.952 1.00 0.00 C ATOM 1023 CG GLU A 84 7.701 -22.135 -0.671 1.00 0.00 C ATOM 1024 CD GLU A 84 9.099 -22.695 -0.402 1.00 0.00 C ATOM 1025 OE1 GLU A 84 10.094 -21.966 -0.528 1.00 0.00 O ATOM 1026 OE2 GLU A 84 9.130 -23.936 -0.049 1.00 0.00 O ATOM 0 H GLU A 84 4.028 -22.759 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 84 5.716 -21.950 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.458 -23.774 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.158 -23.997 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.736 -21.454 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.367 -21.554 0.189 1.00 0.00 H new ATOM 1034 N GLU A 85 3.358 -23.643 -2.410 1.00 0.00 N ATOM 1035 CA GLU A 85 2.513 -24.612 -3.088 1.00 0.00 C ATOM 1036 C GLU A 85 1.055 -24.435 -2.661 1.00 0.00 C ATOM 1037 O GLU A 85 0.777 -23.865 -1.608 1.00 0.00 O ATOM 1038 CB GLU A 85 2.993 -26.040 -2.823 1.00 0.00 C ATOM 1039 CG GLU A 85 3.640 -26.642 -4.072 1.00 0.00 C ATOM 1040 CD GLU A 85 2.625 -26.765 -5.210 1.00 0.00 C ATOM 1041 OE1 GLU A 85 1.561 -27.375 -5.028 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.974 -26.198 -6.315 1.00 0.00 O ATOM 0 H GLU A 85 2.860 -22.847 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 85 2.581 -24.435 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.710 -26.040 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.151 -26.658 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.475 -26.018 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.049 -27.625 -3.837 1.00 0.00 H new ATOM 1050 N CYS A 86 0.161 -24.936 -3.501 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.263 -24.841 -3.224 1.00 0.00 C ATOM 1052 C CYS A 86 -1.695 -26.113 -2.492 1.00 0.00 C ATOM 1053 O CYS A 86 -2.267 -27.018 -3.097 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.074 -24.614 -4.501 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.859 -24.547 -4.104 1.00 0.00 S ATOM 0 H CYS A 86 0.395 -25.409 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.456 -23.975 -2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.764 -23.684 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.881 -25.417 -5.212 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.157 -23.369 -3.642 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.405 -26.141 -1.199 1.00 0.00 N ATOM 1061 CA PHE A 87 -1.757 -27.287 -0.378 1.00 0.00 C ATOM 1062 C PHE A 87 -3.139 -27.826 -0.753 1.00 0.00 C ATOM 1063 O PHE A 87 -3.307 -29.028 -0.957 1.00 0.00 O ATOM 1064 CB PHE A 87 -1.787 -26.805 1.074 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.036 -27.918 2.094 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -1.030 -28.769 2.430 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.263 -28.056 2.664 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -1.261 -29.802 3.377 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.493 -29.089 3.611 1.00 0.00 C ATOM 1070 CZ PHE A 87 -2.488 -29.940 3.947 1.00 0.00 C ATOM 0 H PHE A 87 -0.930 -25.388 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.032 -28.087 -0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.838 -26.320 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.565 -26.049 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.056 -28.659 1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.062 -27.380 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.462 -30.478 3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.467 -29.198 4.064 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.664 -30.726 4.667 1.00 0.00 H new ATOM 1080 N SER A 88 -4.094 -26.912 -0.832 1.00 0.00 N ATOM 1081 CA SER A 88 -5.457 -27.280 -1.178 1.00 0.00 C ATOM 1082 C SER A 88 -5.459 -28.152 -2.435 1.00 0.00 C ATOM 1083 O SER A 88 -6.193 -29.137 -2.510 1.00 0.00 O ATOM 1084 CB SER A 88 -6.326 -26.039 -1.391 1.00 0.00 C ATOM 1085 OG SER A 88 -7.221 -25.820 -0.304 1.00 0.00 O ATOM 0 H SER A 88 -3.951 -25.916 -0.662 1.00 0.00 H new ATOM 0 HA SER A 88 -5.880 -27.847 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.686 -25.165 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.896 -26.150 -2.313 1.00 0.00 H new ATOM 0 HG SER A 88 -7.756 -25.018 -0.478 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.631 -27.759 -3.391 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.529 -28.492 -4.641 1.00 0.00 C ATOM 1093 C CYS A 89 -4.064 -29.915 -4.326 1.00 0.00 C ATOM 1094 O CYS A 89 -4.422 -30.859 -5.030 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.596 -27.793 -5.633 1.00 0.00 C ATOM 1096 SG CYS A 89 -4.575 -26.993 -6.955 1.00 0.00 S ATOM 0 H CYS A 89 -4.024 -26.942 -3.325 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.505 -28.528 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.993 -27.048 -5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.906 -28.516 -6.067 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.240 -25.740 -7.045 1.00 0.00 H new