USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HE2:sc= -1.73 K(o=-4.5,f=-6.9) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -2.75 K(o=-4.5,f=-6.5!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.133 K(o=1,f=-2.9) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0961 F(o=-0.85,f=-0.096) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -94:sc= 0.234 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 115:sc= 0.577 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 66:sc= 1.58 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.23) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0832 K(o=-0.083,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.0294 (180deg=-0.305) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.869 -4.666 -1.094 1.00 0.00 N ATOM 30 CA PHE A 3 3.589 -5.993 -0.557 1.00 0.00 C ATOM 31 C PHE A 3 4.776 -6.927 -0.769 1.00 0.00 C ATOM 32 O PHE A 3 5.555 -6.757 -1.707 1.00 0.00 O ATOM 33 CB PHE A 3 2.339 -6.580 -1.216 1.00 0.00 C ATOM 34 CG PHE A 3 1.840 -7.829 -0.548 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.340 -9.070 -0.907 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.870 -7.762 0.439 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.883 -10.222 -0.294 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.409 -8.910 1.056 1.00 0.00 C ATOM 39 CZ PHE A 3 0.915 -10.141 0.688 1.00 0.00 C ATOM 0 HA PHE A 3 3.414 -5.894 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.547 -5.831 -1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.558 -6.799 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.096 -9.139 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.469 -6.802 0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.282 -11.183 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.346 -8.844 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.554 -11.039 1.167 1.00 0.00 H new ATOM 49 N LYS A 4 4.908 -7.915 0.110 1.00 0.00 N ATOM 50 CA LYS A 4 5.999 -8.878 0.021 1.00 0.00 C ATOM 51 C LYS A 4 5.513 -10.284 0.358 1.00 0.00 C ATOM 52 O LYS A 4 4.736 -10.475 1.294 1.00 0.00 O ATOM 53 CB LYS A 4 7.137 -8.481 0.964 1.00 0.00 C ATOM 54 CG LYS A 4 8.198 -7.616 0.306 1.00 0.00 C ATOM 55 CD LYS A 4 9.134 -8.443 -0.559 1.00 0.00 C ATOM 56 CE LYS A 4 10.242 -9.078 0.268 1.00 0.00 C ATOM 57 NZ LYS A 4 11.282 -9.709 -0.590 1.00 0.00 N ATOM 0 H LYS A 4 4.272 -8.070 0.893 1.00 0.00 H new ATOM 0 HA LYS A 4 6.368 -8.876 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.721 -7.945 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.607 -9.384 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.718 -6.851 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.773 -7.097 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.567 -9.222 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.572 -7.810 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.704 -8.319 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.814 -9.829 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.019 -10.130 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.846 -10.450 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.708 -8.988 -1.206 1.00 0.00 H new ATOM 71 N PHE A 5 5.975 -11.266 -0.409 1.00 0.00 N ATOM 72 CA PHE A 5 5.587 -12.654 -0.191 1.00 0.00 C ATOM 73 C PHE A 5 5.805 -13.057 1.265 1.00 0.00 C ATOM 74 O PHE A 5 6.932 -13.062 1.758 1.00 0.00 O ATOM 75 CB PHE A 5 6.385 -13.580 -1.112 1.00 0.00 C ATOM 76 CG PHE A 5 6.400 -13.130 -2.545 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.266 -12.587 -3.127 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.549 -13.251 -3.311 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.277 -12.173 -4.446 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.566 -12.838 -4.629 1.00 0.00 C ATOM 81 CZ PHE A 5 6.429 -12.299 -5.198 1.00 0.00 C ATOM 0 H PHE A 5 6.619 -11.126 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 5 4.526 -12.749 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.411 -13.645 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.964 -14.584 -1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.363 -12.486 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.441 -13.673 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.386 -11.752 -4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.468 -12.937 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.440 -11.977 -6.229 1.00 0.00 H new ATOM 91 N GLY A 6 4.715 -13.395 1.948 1.00 0.00 N ATOM 92 CA GLY A 6 4.807 -13.794 3.341 1.00 0.00 C ATOM 93 C GLY A 6 5.680 -15.017 3.537 1.00 0.00 C ATOM 94 O GLY A 6 6.141 -15.622 2.569 1.00 0.00 O ATOM 0 H GLY A 6 3.771 -13.400 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.208 -12.967 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.807 -14.000 3.724 1.00 0.00 H new ATOM 98 N LYS A 7 5.909 -15.383 4.793 1.00 0.00 N ATOM 99 CA LYS A 7 6.733 -16.542 5.115 1.00 0.00 C ATOM 100 C LYS A 7 6.263 -17.774 4.348 1.00 0.00 C ATOM 101 O LYS A 7 7.071 -18.597 3.921 1.00 0.00 O ATOM 102 CB LYS A 7 6.695 -16.819 6.620 1.00 0.00 C ATOM 103 CG LYS A 7 5.289 -16.888 7.190 1.00 0.00 C ATOM 104 CD LYS A 7 4.964 -18.279 7.708 1.00 0.00 C ATOM 105 CE LYS A 7 3.609 -18.757 7.209 1.00 0.00 C ATOM 106 NZ LYS A 7 2.919 -19.614 8.213 1.00 0.00 N ATOM 0 H LYS A 7 5.535 -14.893 5.606 1.00 0.00 H new ATOM 0 HA LYS A 7 7.758 -16.321 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.206 -17.761 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.251 -16.038 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.188 -16.165 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.569 -16.608 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.738 -18.977 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.970 -18.273 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.983 -17.895 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.740 -19.316 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.999 -19.919 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.504 -20.449 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.771 -19.073 9.089 1.00 0.00 H new ATOM 120 N ASN A 8 4.950 -17.893 4.177 1.00 0.00 N ATOM 121 CA ASN A 8 4.372 -19.024 3.461 1.00 0.00 C ATOM 122 C ASN A 8 4.521 -18.847 1.953 1.00 0.00 C ATOM 123 O ASN A 8 4.909 -19.774 1.243 1.00 0.00 O ATOM 124 CB ASN A 8 2.894 -19.184 3.824 1.00 0.00 C ATOM 125 CG ASN A 8 2.495 -20.636 3.999 1.00 0.00 C ATOM 126 OD1 ASN A 8 3.255 -21.365 4.809 1.00 0.00 O flip ATOM 127 ND2 ASN A 8 1.516 -21.097 3.413 1.00 0.00 N flip ATOM 0 H ASN A 8 4.267 -17.220 4.525 1.00 0.00 H new ATOM 0 HA ASN A 8 4.911 -19.924 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.688 -18.640 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.280 -18.733 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.961 -20.500 2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.260 -22.076 3.540 1.00 0.00 H new ATOM 134 N SER A 9 4.209 -17.648 1.470 1.00 0.00 N ATOM 135 CA SER A 9 4.304 -17.349 0.046 1.00 0.00 C ATOM 136 C SER A 9 5.716 -17.608 -0.470 1.00 0.00 C ATOM 137 O SER A 9 5.910 -18.351 -1.431 1.00 0.00 O ATOM 138 CB SER A 9 3.912 -15.894 -0.218 1.00 0.00 C ATOM 139 OG SER A 9 2.586 -15.638 0.211 1.00 0.00 O ATOM 0 H SER A 9 3.888 -16.868 2.044 1.00 0.00 H new ATOM 0 HA SER A 9 3.615 -18.006 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.601 -15.228 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.002 -15.677 -1.282 1.00 0.00 H new ATOM 0 HG SER A 9 2.360 -14.701 0.033 1.00 0.00 H new ATOM 145 N GLU A 10 6.699 -16.989 0.177 1.00 0.00 N ATOM 146 CA GLU A 10 8.094 -17.152 -0.217 1.00 0.00 C ATOM 147 C GLU A 10 8.456 -18.629 -0.339 1.00 0.00 C ATOM 148 O GLU A 10 9.245 -19.018 -1.200 1.00 0.00 O ATOM 149 CB GLU A 10 9.016 -16.471 0.796 1.00 0.00 C ATOM 150 CG GLU A 10 8.971 -17.101 2.178 1.00 0.00 C ATOM 151 CD GLU A 10 9.946 -16.457 3.145 1.00 0.00 C ATOM 152 OE1 GLU A 10 9.979 -15.211 3.214 1.00 0.00 O ATOM 153 OE2 GLU A 10 10.678 -17.200 3.832 1.00 0.00 O ATOM 0 H GLU A 10 6.555 -16.371 0.975 1.00 0.00 H new ATOM 0 HA GLU A 10 8.227 -16.682 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.040 -16.505 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.741 -15.419 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.960 -17.019 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.195 -18.164 2.096 1.00 0.00 H new ATOM 160 N LYS A 11 7.873 -19.449 0.529 1.00 0.00 N ATOM 161 CA LYS A 11 8.131 -20.883 0.520 1.00 0.00 C ATOM 162 C LYS A 11 7.394 -21.562 -0.630 1.00 0.00 C ATOM 163 O LYS A 11 7.886 -22.531 -1.207 1.00 0.00 O ATOM 164 CB LYS A 11 7.706 -21.507 1.851 1.00 0.00 C ATOM 165 CG LYS A 11 7.862 -23.018 1.893 1.00 0.00 C ATOM 166 CD LYS A 11 6.549 -23.705 2.230 1.00 0.00 C ATOM 167 CE LYS A 11 5.725 -23.976 0.980 1.00 0.00 C ATOM 168 NZ LYS A 11 4.346 -24.429 1.313 1.00 0.00 N ATOM 0 H LYS A 11 7.218 -19.144 1.249 1.00 0.00 H new ATOM 0 HA LYS A 11 9.202 -21.033 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.297 -21.067 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.664 -21.252 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.223 -23.374 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.615 -23.287 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.750 -24.644 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.976 -23.081 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.674 -23.071 0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.221 -24.735 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.703 -24.188 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.344 -25.459 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.026 -23.957 2.183 1.00 0.00 H new ATOM 182 N GLN A 12 6.214 -21.046 -0.957 1.00 0.00 N ATOM 183 CA GLN A 12 5.410 -21.603 -2.039 1.00 0.00 C ATOM 184 C GLN A 12 6.142 -21.493 -3.372 1.00 0.00 C ATOM 185 O GLN A 12 6.244 -22.468 -4.119 1.00 0.00 O ATOM 186 CB GLN A 12 4.062 -20.885 -2.123 1.00 0.00 C ATOM 187 CG GLN A 12 3.133 -21.199 -0.962 1.00 0.00 C ATOM 188 CD GLN A 12 2.411 -22.521 -1.133 1.00 0.00 C ATOM 189 OE1 GLN A 12 3.014 -23.589 -1.020 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.113 -22.457 -1.406 1.00 0.00 N ATOM 0 H GLN A 12 5.793 -20.243 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 12 5.239 -22.658 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.234 -19.809 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.570 -21.161 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.709 -21.221 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.399 -20.399 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.654 -21.550 -1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.575 -23.315 -1.531 1.00 0.00 H new ATOM 199 N LEU A 13 6.650 -20.301 -3.666 1.00 0.00 N ATOM 200 CA LEU A 13 7.373 -20.063 -4.911 1.00 0.00 C ATOM 201 C LEU A 13 8.768 -20.676 -4.856 1.00 0.00 C ATOM 202 O LEU A 13 9.333 -21.051 -5.883 1.00 0.00 O ATOM 203 CB LEU A 13 7.473 -18.562 -5.187 1.00 0.00 C ATOM 204 CG LEU A 13 6.151 -17.836 -5.438 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.256 -18.658 -6.353 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.446 -17.542 -4.122 1.00 0.00 C ATOM 0 H LEU A 13 6.575 -19.484 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 13 6.819 -20.538 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.969 -18.089 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.116 -18.415 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 13 6.367 -16.888 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.320 -18.126 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.759 -18.817 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.047 -19.622 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.507 -17.025 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.242 -18.478 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.083 -16.912 -3.501 1.00 0.00 H new ATOM 218 N ALA A 14 9.317 -20.777 -3.650 1.00 0.00 N ATOM 219 CA ALA A 14 10.645 -21.349 -3.460 1.00 0.00 C ATOM 220 C ALA A 14 10.612 -22.868 -3.589 1.00 0.00 C ATOM 221 O ALA A 14 11.655 -23.519 -3.660 1.00 0.00 O ATOM 222 CB ALA A 14 11.205 -20.944 -2.105 1.00 0.00 C ATOM 0 H ALA A 14 8.863 -20.470 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 14 11.297 -20.959 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.197 -21.378 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.274 -19.858 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.546 -21.306 -1.316 1.00 0.00 H new ATOM 228 N THR A 15 9.407 -23.429 -3.618 1.00 0.00 N ATOM 229 CA THR A 15 9.238 -24.872 -3.736 1.00 0.00 C ATOM 230 C THR A 15 8.851 -25.265 -5.157 1.00 0.00 C ATOM 231 O THR A 15 8.708 -26.448 -5.467 1.00 0.00 O ATOM 232 CB THR A 15 8.166 -25.393 -2.761 1.00 0.00 C ATOM 233 OG1 THR A 15 7.068 -24.475 -2.703 1.00 0.00 O ATOM 234 CG2 THR A 15 8.748 -25.585 -1.369 1.00 0.00 C ATOM 0 H THR A 15 8.533 -22.905 -3.561 1.00 0.00 H new ATOM 0 HA THR A 15 10.197 -25.325 -3.485 1.00 0.00 H new ATOM 0 HB THR A 15 7.813 -26.358 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.196 -23.860 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.972 -25.954 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.564 -26.307 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.126 -24.632 -0.998 1.00 0.00 H new ATOM 242 N VAL A 16 8.683 -24.267 -6.018 1.00 0.00 N ATOM 243 CA VAL A 16 8.314 -24.509 -7.408 1.00 0.00 C ATOM 244 C VAL A 16 9.410 -25.273 -8.142 1.00 0.00 C ATOM 245 O VAL A 16 10.597 -25.094 -7.868 1.00 0.00 O ATOM 246 CB VAL A 16 8.035 -23.190 -8.153 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.338 -22.534 -8.583 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.132 -23.437 -9.352 1.00 0.00 C ATOM 0 H VAL A 16 8.797 -23.282 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 16 7.404 -25.109 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 16 7.521 -22.510 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.121 -21.604 -9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.946 -22.321 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.882 -23.206 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.945 -22.495 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.617 -24.134 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.186 -23.860 -9.014 1.00 0.00 H new ATOM 258 N LYS A 17 9.005 -26.125 -9.077 1.00 0.00 N ATOM 259 CA LYS A 17 9.952 -26.917 -9.854 1.00 0.00 C ATOM 260 C LYS A 17 10.677 -26.048 -10.877 1.00 0.00 C ATOM 261 O LYS A 17 11.900 -25.904 -10.850 1.00 0.00 O ATOM 262 CB LYS A 17 9.228 -28.063 -10.564 1.00 0.00 C ATOM 263 CG LYS A 17 9.675 -29.441 -10.107 1.00 0.00 C ATOM 264 CD LYS A 17 9.018 -29.833 -8.794 1.00 0.00 C ATOM 265 CE LYS A 17 9.869 -29.423 -7.601 1.00 0.00 C ATOM 266 NZ LYS A 17 9.850 -30.453 -6.527 1.00 0.00 N ATOM 0 H LYS A 17 8.026 -26.285 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 17 10.690 -27.332 -9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.156 -27.964 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.392 -27.975 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.428 -30.177 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.759 -29.453 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.037 -29.363 -8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.857 -30.911 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.896 -29.257 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.504 -28.476 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.441 -30.137 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.874 -30.593 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.222 -31.350 -6.900 1.00 0.00 H new ATOM 280 N PRO A 18 9.908 -25.452 -11.800 1.00 0.00 N ATOM 281 CA PRO A 18 10.456 -24.586 -12.848 1.00 0.00 C ATOM 282 C PRO A 18 10.980 -23.266 -12.293 1.00 0.00 C ATOM 283 O PRO A 18 11.186 -23.128 -11.087 1.00 0.00 O ATOM 284 CB PRO A 18 9.257 -24.340 -13.768 1.00 0.00 C ATOM 285 CG PRO A 18 8.065 -24.523 -12.894 1.00 0.00 C ATOM 286 CD PRO A 18 8.444 -25.579 -11.893 1.00 0.00 C ATOM 0 HA PRO A 18 11.309 -25.043 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.285 -23.337 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.248 -25.041 -14.602 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.799 -23.591 -12.396 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.197 -24.831 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.964 -25.410 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.147 -26.573 -12.226 1.00 0.00 H new ATOM 294 N GLU A 19 11.195 -22.299 -13.180 1.00 0.00 N ATOM 295 CA GLU A 19 11.696 -20.991 -12.776 1.00 0.00 C ATOM 296 C GLU A 19 10.628 -19.917 -12.964 1.00 0.00 C ATOM 297 O GLU A 19 10.936 -18.729 -13.061 1.00 0.00 O ATOM 298 CB GLU A 19 12.946 -20.628 -13.582 1.00 0.00 C ATOM 299 CG GLU A 19 12.814 -20.910 -15.069 1.00 0.00 C ATOM 300 CD GLU A 19 13.291 -22.300 -15.444 1.00 0.00 C ATOM 301 OE1 GLU A 19 14.403 -22.680 -15.022 1.00 0.00 O ATOM 302 OE2 GLU A 19 12.551 -23.007 -16.160 1.00 0.00 O ATOM 0 H GLU A 19 11.030 -22.397 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 19 11.955 -21.041 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.165 -19.570 -13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.796 -21.186 -13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.771 -20.795 -15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.387 -20.170 -15.628 1.00 0.00 H new ATOM 309 N LEU A 20 9.371 -20.345 -13.014 1.00 0.00 N ATOM 310 CA LEU A 20 8.256 -19.421 -13.190 1.00 0.00 C ATOM 311 C LEU A 20 8.233 -18.376 -12.080 1.00 0.00 C ATOM 312 O LEU A 20 7.855 -17.227 -12.304 1.00 0.00 O ATOM 313 CB LEU A 20 6.932 -20.188 -13.212 1.00 0.00 C ATOM 314 CG LEU A 20 6.398 -20.643 -11.853 1.00 0.00 C ATOM 315 CD1 LEU A 20 5.595 -19.531 -11.196 1.00 0.00 C ATOM 316 CD2 LEU A 20 5.549 -21.896 -12.006 1.00 0.00 C ATOM 0 H LEU A 20 9.099 -21.325 -12.935 1.00 0.00 H new ATOM 0 HA LEU A 20 8.388 -18.908 -14.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.178 -19.558 -13.684 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.055 -21.067 -13.845 1.00 0.00 H new ATOM 0 HG LEU A 20 7.247 -20.879 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.223 -19.873 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.232 -18.659 -11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.753 -19.264 -11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.178 -22.205 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.706 -21.686 -12.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.154 -22.695 -12.434 1.00 0.00 H new ATOM 328 N GLN A 21 8.643 -18.783 -10.883 1.00 0.00 N ATOM 329 CA GLN A 21 8.671 -17.881 -9.738 1.00 0.00 C ATOM 330 C GLN A 21 9.517 -16.648 -10.037 1.00 0.00 C ATOM 331 O GLN A 21 9.267 -15.566 -9.506 1.00 0.00 O ATOM 332 CB GLN A 21 9.219 -18.603 -8.506 1.00 0.00 C ATOM 333 CG GLN A 21 10.612 -19.178 -8.707 1.00 0.00 C ATOM 334 CD GLN A 21 11.239 -19.653 -7.411 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.714 -20.785 -7.317 1.00 0.00 O ATOM 336 NE2 GLN A 21 11.245 -18.788 -6.404 1.00 0.00 N ATOM 0 H GLN A 21 8.960 -19.731 -10.681 1.00 0.00 H new ATOM 0 HA GLN A 21 7.649 -17.558 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.240 -17.908 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.538 -19.410 -8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.559 -20.011 -9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.252 -18.421 -9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.840 -17.860 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.655 -19.051 -5.508 1.00 0.00 H new ATOM 345 N LYS A 22 10.520 -16.818 -10.892 1.00 0.00 N ATOM 346 CA LYS A 22 11.404 -15.719 -11.263 1.00 0.00 C ATOM 347 C LYS A 22 10.602 -14.517 -11.750 1.00 0.00 C ATOM 348 O LYS A 22 10.748 -13.410 -11.230 1.00 0.00 O ATOM 349 CB LYS A 22 12.380 -16.169 -12.353 1.00 0.00 C ATOM 350 CG LYS A 22 13.403 -17.184 -11.873 1.00 0.00 C ATOM 351 CD LYS A 22 14.531 -17.357 -12.876 1.00 0.00 C ATOM 352 CE LYS A 22 15.628 -16.324 -12.664 1.00 0.00 C ATOM 353 NZ LYS A 22 16.932 -16.778 -13.221 1.00 0.00 N ATOM 0 H LYS A 22 10.741 -17.707 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 22 11.967 -15.424 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.815 -16.599 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.903 -15.296 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.813 -16.864 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.914 -18.144 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.950 -18.359 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.136 -17.268 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.339 -15.385 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.738 -16.125 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.653 -16.047 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.221 -17.661 -12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.834 -16.944 -14.243 1.00 0.00 H new ATOM 367 N VAL A 23 9.754 -14.741 -12.748 1.00 0.00 N ATOM 368 CA VAL A 23 8.927 -13.676 -13.302 1.00 0.00 C ATOM 369 C VAL A 23 8.053 -13.042 -12.226 1.00 0.00 C ATOM 370 O VAL A 23 7.911 -11.821 -12.167 1.00 0.00 O ATOM 371 CB VAL A 23 8.025 -14.198 -14.437 1.00 0.00 C ATOM 372 CG1 VAL A 23 6.834 -13.274 -14.641 1.00 0.00 C ATOM 373 CG2 VAL A 23 8.822 -14.346 -15.724 1.00 0.00 C ATOM 0 H VAL A 23 9.622 -15.651 -13.190 1.00 0.00 H new ATOM 0 HA VAL A 23 9.607 -12.925 -13.704 1.00 0.00 H new ATOM 0 HB VAL A 23 7.647 -15.181 -14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.209 -13.659 -15.446 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.251 -13.223 -13.721 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.188 -12.276 -14.902 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.170 -14.716 -16.515 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.230 -13.377 -16.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.638 -15.051 -15.567 1.00 0.00 H new ATOM 383 N ALA A 24 7.470 -13.880 -11.375 1.00 0.00 N ATOM 384 CA ALA A 24 6.613 -13.401 -10.298 1.00 0.00 C ATOM 385 C ALA A 24 7.383 -12.493 -9.345 1.00 0.00 C ATOM 386 O ALA A 24 6.950 -11.379 -9.048 1.00 0.00 O ATOM 387 CB ALA A 24 6.012 -14.576 -9.540 1.00 0.00 C ATOM 0 H ALA A 24 7.576 -14.894 -11.411 1.00 0.00 H new ATOM 0 HA ALA A 24 5.806 -12.817 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.374 -14.204 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.419 -15.184 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.812 -15.182 -9.115 1.00 0.00 H new ATOM 393 N ARG A 25 8.526 -12.975 -8.869 1.00 0.00 N ATOM 394 CA ARG A 25 9.355 -12.207 -7.948 1.00 0.00 C ATOM 395 C ARG A 25 9.718 -10.851 -8.547 1.00 0.00 C ATOM 396 O ARG A 25 9.466 -9.808 -7.944 1.00 0.00 O ATOM 397 CB ARG A 25 10.628 -12.983 -7.606 1.00 0.00 C ATOM 398 CG ARG A 25 10.365 -14.304 -6.901 1.00 0.00 C ATOM 399 CD ARG A 25 11.562 -15.236 -7.000 1.00 0.00 C ATOM 400 NE ARG A 25 12.816 -14.552 -6.692 1.00 0.00 N ATOM 401 CZ ARG A 25 13.186 -14.213 -5.462 1.00 0.00 C ATOM 402 NH1 ARG A 25 12.403 -14.495 -4.430 1.00 0.00 N ATOM 403 NH2 ARG A 25 14.341 -13.593 -5.263 1.00 0.00 N ATOM 0 H ARG A 25 8.899 -13.894 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 25 8.783 -12.041 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.184 -13.175 -8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.262 -12.363 -6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.133 -14.118 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.491 -14.785 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.428 -16.073 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.614 -15.653 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 25 13.442 -14.322 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.515 -14.973 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.689 -14.234 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.946 -13.376 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.624 -13.333 -4.318 1.00 0.00 H new ATOM 417 N ARG A 26 10.313 -10.875 -9.735 1.00 0.00 N ATOM 418 CA ARG A 26 10.713 -9.648 -10.414 1.00 0.00 C ATOM 419 C ARG A 26 9.503 -8.759 -10.689 1.00 0.00 C ATOM 420 O ARG A 26 9.544 -7.551 -10.462 1.00 0.00 O ATOM 421 CB ARG A 26 11.427 -9.976 -11.727 1.00 0.00 C ATOM 422 CG ARG A 26 12.455 -8.934 -12.137 1.00 0.00 C ATOM 423 CD ARG A 26 13.100 -9.283 -13.469 1.00 0.00 C ATOM 424 NE ARG A 26 13.713 -8.118 -14.102 1.00 0.00 N ATOM 425 CZ ARG A 26 14.881 -7.608 -13.729 1.00 0.00 C ATOM 426 NH1 ARG A 26 15.560 -8.158 -12.732 1.00 0.00 N ATOM 427 NH2 ARG A 26 15.373 -6.547 -14.354 1.00 0.00 N ATOM 0 H ARG A 26 10.529 -11.730 -10.247 1.00 0.00 H new ATOM 0 HA ARG A 26 11.398 -9.108 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.921 -10.943 -11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.685 -10.074 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.976 -7.957 -12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.224 -8.857 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.857 -10.052 -13.315 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.348 -9.705 -14.136 1.00 0.00 H new ATOM 0 HE ARG A 26 13.216 -7.672 -14.873 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.186 -8.975 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.457 -7.764 -12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.854 -6.122 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.270 -6.156 -14.066 1.00 0.00 H new ATOM 441 N ALA A 27 8.428 -9.368 -11.178 1.00 0.00 N ATOM 442 CA ALA A 27 7.206 -8.633 -11.482 1.00 0.00 C ATOM 443 C ALA A 27 6.747 -7.812 -10.282 1.00 0.00 C ATOM 444 O ALA A 27 6.250 -6.695 -10.435 1.00 0.00 O ATOM 445 CB ALA A 27 6.109 -9.591 -11.920 1.00 0.00 C ATOM 0 H ALA A 27 8.378 -10.368 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 27 7.419 -7.945 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.203 -9.028 -12.144 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.431 -10.130 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.906 -10.302 -11.119 1.00 0.00 H new ATOM 451 N LEU A 28 6.914 -8.371 -9.089 1.00 0.00 N ATOM 452 CA LEU A 28 6.515 -7.691 -7.862 1.00 0.00 C ATOM 453 C LEU A 28 7.063 -6.267 -7.826 1.00 0.00 C ATOM 454 O LEU A 28 6.368 -5.336 -7.422 1.00 0.00 O ATOM 455 CB LEU A 28 7.007 -8.469 -6.641 1.00 0.00 C ATOM 456 CG LEU A 28 6.597 -7.910 -5.278 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.195 -7.325 -5.341 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.678 -8.992 -4.211 1.00 0.00 C ATOM 0 H LEU A 28 7.323 -9.294 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 28 5.426 -7.643 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.641 -9.493 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.095 -8.516 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 28 7.290 -7.112 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.920 -6.932 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.169 -6.520 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.489 -8.103 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.383 -8.576 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.009 -9.812 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.700 -9.364 -4.147 1.00 0.00 H new ATOM 470 N GLU A 29 8.311 -6.108 -8.254 1.00 0.00 N ATOM 471 CA GLU A 29 8.950 -4.797 -8.272 1.00 0.00 C ATOM 472 C GLU A 29 8.747 -4.111 -9.619 1.00 0.00 C ATOM 473 O GLU A 29 8.406 -2.929 -9.681 1.00 0.00 O ATOM 474 CB GLU A 29 10.446 -4.931 -7.976 1.00 0.00 C ATOM 475 CG GLU A 29 10.760 -5.910 -6.857 1.00 0.00 C ATOM 476 CD GLU A 29 11.788 -5.371 -5.882 1.00 0.00 C ATOM 477 OE1 GLU A 29 11.438 -4.471 -5.089 1.00 0.00 O ATOM 478 OE2 GLU A 29 12.941 -5.849 -5.910 1.00 0.00 O ATOM 0 H GLU A 29 8.899 -6.869 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 29 8.487 -4.184 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.960 -5.251 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.845 -3.951 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.843 -6.146 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.126 -6.842 -7.287 1.00 0.00 H new ATOM 485 N LEU A 30 8.958 -4.860 -10.696 1.00 0.00 N ATOM 486 CA LEU A 30 8.798 -4.325 -12.043 1.00 0.00 C ATOM 487 C LEU A 30 7.452 -3.624 -12.195 1.00 0.00 C ATOM 488 O LEU A 30 7.391 -2.436 -12.513 1.00 0.00 O ATOM 489 CB LEU A 30 8.922 -5.446 -13.077 1.00 0.00 C ATOM 490 CG LEU A 30 10.284 -6.136 -13.158 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.203 -7.375 -14.037 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.339 -5.174 -13.685 1.00 0.00 C ATOM 0 H LEU A 30 9.240 -5.840 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 30 9.588 -3.594 -12.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.167 -6.201 -12.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.686 -5.035 -14.059 1.00 0.00 H new ATOM 0 HG LEU A 30 10.573 -6.446 -12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.181 -7.853 -14.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.478 -8.072 -13.617 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.891 -7.089 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.302 -5.682 -13.736 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.056 -4.833 -14.681 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.416 -4.317 -13.016 1.00 0.00 H new ATOM 504 N SER A 31 6.374 -4.367 -11.964 1.00 0.00 N ATOM 505 CA SER A 31 5.028 -3.818 -12.076 1.00 0.00 C ATOM 506 C SER A 31 4.878 -2.569 -11.214 1.00 0.00 C ATOM 507 O SER A 31 5.579 -2.382 -10.219 1.00 0.00 O ATOM 508 CB SER A 31 3.991 -4.865 -11.664 1.00 0.00 C ATOM 509 OG SER A 31 3.697 -4.773 -10.280 1.00 0.00 O ATOM 0 H SER A 31 6.407 -5.351 -11.698 1.00 0.00 H new ATOM 0 HA SER A 31 4.860 -3.542 -13.117 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.078 -4.725 -12.243 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.365 -5.863 -11.894 1.00 0.00 H new ATOM 0 HG SER A 31 2.764 -4.497 -10.161 1.00 0.00 H new ATOM 515 N PRO A 32 3.941 -1.692 -11.603 1.00 0.00 N ATOM 516 CA PRO A 32 3.675 -0.444 -10.880 1.00 0.00 C ATOM 517 C PRO A 32 3.022 -0.689 -9.524 1.00 0.00 C ATOM 518 O PRO A 32 3.318 0.002 -8.548 1.00 0.00 O ATOM 519 CB PRO A 32 2.715 0.306 -11.808 1.00 0.00 C ATOM 520 CG PRO A 32 2.046 -0.761 -12.603 1.00 0.00 C ATOM 521 CD PRO A 32 3.068 -1.850 -12.779 1.00 0.00 C ATOM 0 HA PRO A 32 4.592 0.103 -10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.991 0.890 -11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.251 1.003 -12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.162 -1.135 -12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.714 -0.378 -13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.604 -2.836 -12.805 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.623 -1.734 -13.710 1.00 0.00 H new ATOM 529 N TYR A 33 2.134 -1.675 -9.469 1.00 0.00 N ATOM 530 CA TYR A 33 1.438 -2.009 -8.232 1.00 0.00 C ATOM 531 C TYR A 33 1.814 -3.409 -7.756 1.00 0.00 C ATOM 532 O TYR A 33 1.698 -4.382 -8.502 1.00 0.00 O ATOM 533 CB TYR A 33 -0.076 -1.915 -8.432 1.00 0.00 C ATOM 534 CG TYR A 33 -0.489 -0.868 -9.441 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.254 0.481 -9.208 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.114 -1.228 -10.629 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.631 1.441 -10.128 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.493 -0.276 -11.555 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.250 1.058 -11.299 1.00 0.00 C ATOM 540 OH TYR A 33 -1.626 2.011 -12.218 1.00 0.00 O ATOM 0 H TYR A 33 1.879 -2.257 -10.267 1.00 0.00 H new ATOM 0 HA TYR A 33 1.742 -1.292 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.453 -2.886 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.547 -1.691 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.232 0.785 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.307 -2.271 -10.832 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.442 2.486 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.977 -0.574 -12.474 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.048 1.575 -12.988 1.00 0.00 H new ATOM 550 N ASP A 34 2.263 -3.502 -6.509 1.00 0.00 N ATOM 551 CA ASP A 34 2.654 -4.783 -5.932 1.00 0.00 C ATOM 552 C ASP A 34 1.538 -5.811 -6.083 1.00 0.00 C ATOM 553 O ASP A 34 0.430 -5.482 -6.506 1.00 0.00 O ATOM 554 CB ASP A 34 3.011 -4.612 -4.454 1.00 0.00 C ATOM 555 CG ASP A 34 2.090 -3.639 -3.745 1.00 0.00 C ATOM 556 OD1 ASP A 34 2.178 -2.425 -4.027 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.280 -4.091 -2.909 1.00 0.00 O ATOM 0 H ASP A 34 2.365 -2.706 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 34 3.530 -5.144 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.963 -5.581 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.040 -4.261 -4.370 1.00 0.00 H new ATOM 562 N PHE A 35 1.838 -7.058 -5.735 1.00 0.00 N ATOM 563 CA PHE A 35 0.860 -8.136 -5.834 1.00 0.00 C ATOM 564 C PHE A 35 1.066 -9.161 -4.723 1.00 0.00 C ATOM 565 O PHE A 35 2.197 -9.450 -4.331 1.00 0.00 O ATOM 566 CB PHE A 35 0.960 -8.820 -7.199 1.00 0.00 C ATOM 567 CG PHE A 35 2.089 -9.806 -7.294 1.00 0.00 C ATOM 568 CD1 PHE A 35 1.898 -11.133 -6.942 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.340 -9.407 -7.735 1.00 0.00 C ATOM 570 CE1 PHE A 35 2.935 -12.043 -7.029 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.380 -10.313 -7.824 1.00 0.00 C ATOM 572 CZ PHE A 35 4.178 -11.632 -7.469 1.00 0.00 C ATOM 0 H PHE A 35 2.750 -7.347 -5.382 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.134 -7.702 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.021 -9.333 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.087 -8.059 -7.969 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.928 -11.460 -6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.505 -8.376 -8.012 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.773 -13.075 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.350 -9.989 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.990 -12.341 -7.535 1.00 0.00 H new ATOM 582 N THR A 36 -0.035 -9.707 -4.217 1.00 0.00 N ATOM 583 CA THR A 36 0.023 -10.698 -3.150 1.00 0.00 C ATOM 584 C THR A 36 -0.116 -12.111 -3.704 1.00 0.00 C ATOM 585 O THR A 36 -0.949 -12.368 -4.573 1.00 0.00 O ATOM 586 CB THR A 36 -1.080 -10.459 -2.102 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.986 -11.438 -1.061 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.459 -10.523 -2.742 1.00 0.00 C ATOM 0 H THR A 36 -0.979 -9.479 -4.530 1.00 0.00 H new ATOM 0 HA THR A 36 0.997 -10.592 -2.673 1.00 0.00 H new ATOM 0 HB THR A 36 -0.939 -9.464 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.151 -11.309 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.221 -10.351 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.538 -9.758 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.607 -11.506 -3.189 1.00 0.00 H new ATOM 596 N ILE A 37 0.705 -13.024 -3.196 1.00 0.00 N ATOM 597 CA ILE A 37 0.672 -14.412 -3.640 1.00 0.00 C ATOM 598 C ILE A 37 -0.370 -15.212 -2.866 1.00 0.00 C ATOM 599 O ILE A 37 -0.515 -15.054 -1.653 1.00 0.00 O ATOM 600 CB ILE A 37 2.047 -15.088 -3.477 1.00 0.00 C ATOM 601 CG1 ILE A 37 2.954 -14.740 -4.659 1.00 0.00 C ATOM 602 CG2 ILE A 37 1.884 -16.595 -3.353 1.00 0.00 C ATOM 603 CD1 ILE A 37 2.604 -15.484 -5.928 1.00 0.00 C ATOM 0 H ILE A 37 1.401 -12.828 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 37 0.405 -14.399 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 37 2.513 -14.716 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.896 -13.668 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.987 -14.961 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.864 -17.059 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.270 -16.824 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.401 -16.984 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.288 -15.188 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.690 -16.557 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.582 -15.244 -6.220 1.00 0.00 H new ATOM 615 N VAL A 38 -1.094 -16.072 -3.574 1.00 0.00 N ATOM 616 CA VAL A 38 -2.121 -16.900 -2.954 1.00 0.00 C ATOM 617 C VAL A 38 -1.643 -18.338 -2.788 1.00 0.00 C ATOM 618 O VAL A 38 -1.825 -18.944 -1.732 1.00 0.00 O ATOM 619 CB VAL A 38 -3.421 -16.895 -3.781 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.541 -17.586 -3.019 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.813 -15.472 -4.149 1.00 0.00 C ATOM 0 H VAL A 38 -0.988 -16.214 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.322 -16.472 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.247 -17.449 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.451 -17.573 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.258 -18.618 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.718 -17.063 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.733 -15.488 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.970 -14.891 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.017 -15.016 -4.738 1.00 0.00 H new ATOM 631 N GLN A 39 -1.030 -18.877 -3.836 1.00 0.00 N ATOM 632 CA GLN A 39 -0.525 -20.244 -3.806 1.00 0.00 C ATOM 633 C GLN A 39 0.619 -20.424 -4.799 1.00 0.00 C ATOM 634 O GLN A 39 0.763 -19.649 -5.743 1.00 0.00 O ATOM 635 CB GLN A 39 -1.649 -21.233 -4.120 1.00 0.00 C ATOM 636 CG GLN A 39 -2.470 -21.627 -2.903 1.00 0.00 C ATOM 637 CD GLN A 39 -3.318 -22.860 -3.146 1.00 0.00 C ATOM 638 OE1 GLN A 39 -3.554 -23.249 -4.290 1.00 0.00 O ATOM 639 NE2 GLN A 39 -3.782 -23.481 -2.068 1.00 0.00 N ATOM 0 H GLN A 39 -0.871 -18.388 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.146 -20.442 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.310 -20.794 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.218 -22.131 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.801 -21.811 -2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.116 -20.796 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.561 -23.123 -1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.359 -24.316 -2.169 1.00 0.00 H new ATOM 648 N GLY A 40 1.432 -21.453 -4.577 1.00 0.00 N ATOM 649 CA GLY A 40 2.553 -21.716 -5.461 1.00 0.00 C ATOM 650 C GLY A 40 2.784 -23.198 -5.679 1.00 0.00 C ATOM 651 O GLY A 40 2.731 -23.680 -6.811 1.00 0.00 O ATOM 0 H GLY A 40 1.334 -22.108 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.375 -21.234 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.455 -21.269 -5.042 1.00 0.00 H new ATOM 655 N ILE A 41 3.042 -23.921 -4.595 1.00 0.00 N ATOM 656 CA ILE A 41 3.282 -25.357 -4.675 1.00 0.00 C ATOM 657 C ILE A 41 2.493 -26.106 -3.606 1.00 0.00 C ATOM 658 O ILE A 41 2.364 -25.640 -2.474 1.00 0.00 O ATOM 659 CB ILE A 41 4.778 -25.687 -4.518 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.379 -26.087 -5.867 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.971 -26.797 -3.495 1.00 0.00 C ATOM 662 CD1 ILE A 41 4.792 -27.360 -6.435 1.00 0.00 C ATOM 0 H ILE A 41 3.090 -23.537 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 41 2.949 -25.679 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 41 5.296 -24.797 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.225 -25.276 -6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.456 -26.212 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.033 -27.019 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.575 -26.477 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.443 -27.692 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.264 -27.583 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.969 -28.183 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.719 -27.233 -6.581 1.00 0.00 H new ATOM 674 N ARG A 42 1.968 -27.271 -3.974 1.00 0.00 N ATOM 675 CA ARG A 42 1.192 -28.086 -3.047 1.00 0.00 C ATOM 676 C ARG A 42 2.081 -29.112 -2.351 1.00 0.00 C ATOM 677 O ARG A 42 2.601 -30.031 -2.985 1.00 0.00 O ATOM 678 CB ARG A 42 0.057 -28.796 -3.787 1.00 0.00 C ATOM 679 CG ARG A 42 -1.118 -27.888 -4.114 1.00 0.00 C ATOM 680 CD ARG A 42 -2.359 -28.278 -3.328 1.00 0.00 C ATOM 681 NE ARG A 42 -3.582 -28.078 -4.101 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.787 -27.960 -3.553 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.929 -28.021 -2.236 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.852 -27.779 -4.323 1.00 0.00 N ATOM 0 H ARG A 42 2.066 -27.671 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 42 0.766 -27.427 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.447 -29.219 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.296 -29.629 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.854 -26.855 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.332 -27.938 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.285 -29.324 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.408 -27.688 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.507 -28.026 -5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.112 -28.159 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.855 -27.930 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.746 -27.730 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.777 -27.689 -3.902 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.956 -26.915 -10.013 1.00 0.00 N ATOM 1036 CA HIS A 66 -0.202 -26.565 -8.815 1.00 0.00 C ATOM 1037 C HIS A 66 0.583 -27.767 -8.297 1.00 0.00 C ATOM 1038 O HIS A 66 1.678 -27.617 -7.754 1.00 0.00 O ATOM 1039 CB HIS A 66 -1.144 -26.050 -7.726 1.00 0.00 C ATOM 1040 CG HIS A 66 -1.230 -24.556 -7.668 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.237 -23.764 -7.132 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -2.200 -23.708 -8.084 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.592 -22.495 -7.219 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.780 -22.434 -7.794 1.00 0.00 N ATOM 0 HA HIS A 66 0.504 -25.777 -9.077 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.141 -26.457 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.808 -26.424 -6.759 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.636 -24.105 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.131 -23.983 -8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.010 -21.651 -6.878 1.00 0.00 H new ATOM 1052 N ILE A 67 0.016 -28.956 -8.469 1.00 0.00 N ATOM 1053 CA ILE A 67 0.664 -30.182 -8.019 1.00 0.00 C ATOM 1054 C ILE A 67 2.004 -30.384 -8.717 1.00 0.00 C ATOM 1055 O ILE A 67 2.979 -30.817 -8.101 1.00 0.00 O ATOM 1056 CB ILE A 67 -0.225 -31.414 -8.273 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.682 -31.099 -7.927 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.273 -32.603 -7.464 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.845 -30.352 -6.623 1.00 0.00 C ATOM 0 H ILE A 67 -0.890 -29.097 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 67 0.828 -30.077 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.170 -31.671 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.118 -30.508 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.244 -32.031 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.366 -33.466 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.297 -32.838 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.245 -32.358 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.903 -30.163 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.439 -30.950 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.311 -29.403 -6.678 1.00 0.00 H new ATOM 1071 N THR A 68 2.048 -30.065 -10.007 1.00 0.00 N ATOM 1072 CA THR A 68 3.269 -30.210 -10.790 1.00 0.00 C ATOM 1073 C THR A 68 4.162 -28.984 -10.647 1.00 0.00 C ATOM 1074 O THR A 68 5.247 -28.923 -11.224 1.00 0.00 O ATOM 1075 CB THR A 68 2.957 -30.434 -12.281 1.00 0.00 C ATOM 1076 OG1 THR A 68 2.491 -29.215 -12.872 1.00 0.00 O ATOM 1077 CG2 THR A 68 1.908 -31.522 -12.458 1.00 0.00 C ATOM 0 H THR A 68 1.251 -29.704 -10.532 1.00 0.00 H new ATOM 0 HA THR A 68 3.792 -31.084 -10.401 1.00 0.00 H new ATOM 0 HB THR A 68 3.874 -30.752 -12.777 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.296 -29.365 -13.821 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.704 -31.662 -13.520 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.277 -32.456 -12.033 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.990 -31.229 -11.948 1.00 0.00 H new ATOM 1085 N GLY A 69 3.699 -28.006 -9.874 1.00 0.00 N ATOM 1086 CA GLY A 69 4.469 -26.793 -9.669 1.00 0.00 C ATOM 1087 C GLY A 69 4.735 -26.050 -10.964 1.00 0.00 C ATOM 1088 O GLY A 69 5.701 -25.294 -11.066 1.00 0.00 O ATOM 0 H GLY A 69 2.804 -28.032 -9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.934 -26.138 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.418 -27.044 -9.196 1.00 0.00 H new ATOM 1092 N ASP A 70 3.877 -26.266 -11.955 1.00 0.00 N ATOM 1093 CA ASP A 70 4.025 -25.612 -13.250 1.00 0.00 C ATOM 1094 C ASP A 70 3.126 -24.382 -13.342 1.00 0.00 C ATOM 1095 O ASP A 70 2.787 -23.931 -14.435 1.00 0.00 O ATOM 1096 CB ASP A 70 3.693 -26.588 -14.379 1.00 0.00 C ATOM 1097 CG ASP A 70 4.546 -26.360 -15.611 1.00 0.00 C ATOM 1098 OD1 ASP A 70 5.788 -26.412 -15.491 1.00 0.00 O ATOM 1099 OD2 ASP A 70 3.972 -26.130 -16.696 1.00 0.00 O ATOM 0 H ASP A 70 3.072 -26.889 -11.886 1.00 0.00 H new ATOM 0 HA ASP A 70 5.062 -25.291 -13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.836 -27.609 -14.026 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.641 -26.487 -14.645 1.00 0.00 H new ATOM 1104 N ALA A 71 2.745 -23.846 -12.188 1.00 0.00 N ATOM 1105 CA ALA A 71 1.887 -22.669 -12.139 1.00 0.00 C ATOM 1106 C ALA A 71 1.790 -22.119 -10.720 1.00 0.00 C ATOM 1107 O ALA A 71 2.100 -22.815 -9.752 1.00 0.00 O ATOM 1108 CB ALA A 71 0.502 -23.003 -12.673 1.00 0.00 C ATOM 0 H ALA A 71 3.017 -24.208 -11.274 1.00 0.00 H new ATOM 0 HA ALA A 71 2.332 -21.899 -12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.128 -22.115 -12.630 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.582 -23.342 -13.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.058 -23.792 -12.066 1.00 0.00 H new ATOM 1114 N ILE A 72 1.359 -20.868 -10.603 1.00 0.00 N ATOM 1115 CA ILE A 72 1.221 -20.226 -9.302 1.00 0.00 C ATOM 1116 C ILE A 72 0.043 -19.258 -9.288 1.00 0.00 C ATOM 1117 O ILE A 72 -0.377 -18.760 -10.333 1.00 0.00 O ATOM 1118 CB ILE A 72 2.502 -19.463 -8.912 1.00 0.00 C ATOM 1119 CG1 ILE A 72 2.790 -18.355 -9.926 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.680 -20.421 -8.816 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.088 -17.052 -9.614 1.00 0.00 C ATOM 0 H ILE A 72 1.099 -20.279 -11.394 1.00 0.00 H new ATOM 0 HA ILE A 72 1.045 -21.020 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 72 2.351 -19.004 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.865 -18.179 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.487 -18.693 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.577 -19.868 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.473 -21.178 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.835 -20.905 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.338 -16.313 -10.375 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.010 -17.213 -9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.409 -16.691 -8.637 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.485 -18.994 -8.098 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.613 -18.082 -7.947 1.00 0.00 C ATOM 1135 C ASP A 73 -1.167 -16.763 -7.324 1.00 0.00 C ATOM 1136 O ASP A 73 -0.362 -16.745 -6.393 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.703 -18.724 -7.087 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.998 -17.937 -7.112 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -3.972 -16.741 -6.756 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -5.039 -18.518 -7.486 1.00 0.00 O ATOM 0 H ASP A 73 -0.150 -19.399 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.017 -17.876 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.890 -19.738 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.350 -18.805 -6.059 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.694 -15.660 -7.846 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.349 -14.336 -7.342 1.00 0.00 C ATOM 1147 C PHE A 74 -2.480 -13.345 -7.598 1.00 0.00 C ATOM 1148 O PHE A 74 -3.350 -13.582 -8.435 1.00 0.00 O ATOM 1149 CB PHE A 74 -0.060 -13.838 -8.000 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.298 -12.966 -9.199 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.475 -11.599 -9.054 1.00 0.00 C ATOM 1152 CD2 PHE A 74 -0.343 -13.512 -10.471 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.695 -10.795 -10.156 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.561 -12.712 -11.578 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.737 -11.352 -11.420 1.00 0.00 C ATOM 0 H PHE A 74 -2.361 -15.657 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.194 -14.412 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.522 -13.281 -7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.541 -14.697 -8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.441 -11.157 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.206 -14.575 -10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.834 -9.731 -10.030 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.593 -13.151 -12.564 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.907 -10.725 -12.282 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.461 -12.233 -6.870 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.483 -11.205 -7.019 1.00 0.00 C ATOM 1167 C ALA A 75 -2.859 -9.814 -7.066 1.00 0.00 C ATOM 1168 O ALA A 75 -1.913 -9.506 -6.341 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.491 -11.295 -5.883 1.00 0.00 C ATOM 0 H ALA A 75 -1.749 -12.021 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.000 -11.375 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.249 -10.521 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.968 -12.275 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.980 -11.153 -4.931 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.400 -8.952 -7.940 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.912 -7.579 -8.103 1.00 0.00 C ATOM 1177 C PRO A 76 -3.228 -6.704 -6.895 1.00 0.00 C ATOM 1178 O PRO A 76 -4.393 -6.475 -6.569 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.666 -7.078 -9.337 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.907 -7.901 -9.383 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.530 -9.250 -8.836 1.00 0.00 C ATOM 0 HA PRO A 76 -1.827 -7.542 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.898 -6.016 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.073 -7.206 -10.242 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.699 -7.446 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.282 -7.984 -10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.358 -9.711 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.242 -9.939 -9.630 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.184 -6.217 -6.233 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.351 -5.369 -5.059 1.00 0.00 C ATOM 1191 C TYR A 77 -2.368 -3.895 -5.450 1.00 0.00 C ATOM 1192 O TYR A 77 -1.602 -3.461 -6.311 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.228 -5.628 -4.053 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.724 -5.943 -2.660 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.301 -7.174 -2.369 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.617 -5.011 -1.635 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.757 -7.466 -1.098 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.068 -5.295 -0.361 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.638 -6.524 -0.097 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.090 -6.810 1.171 1.00 0.00 O ATOM 0 H TYR A 77 -1.213 -6.395 -6.490 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.307 -5.615 -4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.617 -6.458 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.581 -4.752 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.394 -7.914 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.173 -4.048 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.204 -8.427 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.975 -4.560 0.424 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.930 -6.041 1.757 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.246 -3.130 -4.811 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.363 -1.704 -5.090 1.00 0.00 C ATOM 1212 C ILE A 78 -3.890 -0.948 -3.876 1.00 0.00 C ATOM 1213 O ILE A 78 -4.867 -1.359 -3.252 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.292 -1.439 -6.289 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.584 -1.792 -7.599 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.742 0.014 -6.300 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -3.860 -3.202 -8.074 1.00 0.00 C ATOM 0 H ILE A 78 -3.887 -3.474 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.362 -1.347 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.174 -2.072 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.896 -1.089 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.509 -1.665 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.398 0.185 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.280 0.235 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.870 0.664 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.326 -3.383 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.523 -3.913 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.930 -3.328 -8.238 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.238 0.163 -3.547 1.00 0.00 N ATOM 1230 CA ASN A 79 -3.642 0.978 -2.408 1.00 0.00 C ATOM 1231 C ASN A 79 -3.589 0.171 -1.115 1.00 0.00 C ATOM 1232 O ASN A 79 -4.389 0.384 -0.205 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.054 1.528 -2.623 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.370 2.686 -1.697 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -6.179 2.558 -0.778 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -4.732 3.826 -1.936 1.00 0.00 N ATOM 0 H ASN A 79 -2.427 0.519 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.944 1.811 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.160 1.854 -3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.780 0.731 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.905 4.640 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.069 3.887 -2.709 1.00 0.00 H new ATOM 1243 N GLY A 80 -2.640 -0.758 -1.042 1.00 0.00 N ATOM 1244 CA GLY A 80 -2.500 -1.584 0.144 1.00 0.00 C ATOM 1245 C GLY A 80 -3.635 -2.578 0.295 1.00 0.00 C ATOM 1246 O GLY A 80 -3.853 -3.122 1.378 1.00 0.00 O ATOM 0 H GLY A 80 -1.966 -0.953 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.553 -2.122 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.461 -0.945 1.026 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.360 -2.815 -0.792 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.479 -3.750 -0.777 1.00 0.00 C ATOM 1252 C LYS A 81 -5.622 -4.450 -2.124 1.00 0.00 C ATOM 1253 O LYS A 81 -5.297 -3.881 -3.167 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.777 -3.018 -0.430 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.179 -1.972 -1.455 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.688 -1.815 -1.530 1.00 0.00 C ATOM 1257 CE LYS A 81 -9.304 -2.807 -2.505 1.00 0.00 C ATOM 1258 NZ LYS A 81 -10.644 -2.360 -2.977 1.00 0.00 N ATOM 0 H LYS A 81 -4.193 -2.372 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.279 -4.504 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.581 -3.748 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.664 -2.538 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.725 -1.015 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.793 -2.254 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.120 -1.961 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.934 -0.799 -1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.641 -2.935 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.394 -3.781 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.031 -3.062 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.284 -2.263 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.554 -1.443 -3.459 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.111 -5.685 -2.096 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.300 -6.460 -3.316 1.00 0.00 C ATOM 1274 C ILE A 82 -7.217 -5.732 -4.293 1.00 0.00 C ATOM 1275 O ILE A 82 -8.215 -5.132 -3.894 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.889 -7.850 -3.015 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.128 -8.512 -1.864 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.846 -8.725 -4.259 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.939 -8.633 -0.593 1.00 0.00 C ATOM 0 H ILE A 82 -6.384 -6.171 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.315 -6.582 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.930 -7.730 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.806 -9.506 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.226 -7.936 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.266 -9.704 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.428 -8.257 -5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.813 -8.841 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.336 -9.111 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.239 -7.640 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.827 -9.235 -0.784 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.873 -5.791 -5.575 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.667 -5.140 -6.611 1.00 0.00 C ATOM 1293 C ASP A 83 -8.368 -6.173 -7.487 1.00 0.00 C ATOM 1294 O ASP A 83 -7.771 -6.726 -8.411 1.00 0.00 O ATOM 1295 CB ASP A 83 -6.780 -4.240 -7.473 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.584 -3.248 -8.290 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.688 -3.611 -8.746 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.109 -2.108 -8.473 1.00 0.00 O ATOM 0 H ASP A 83 -6.050 -6.283 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.426 -4.529 -6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.084 -3.699 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.182 -4.858 -8.143 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.637 -6.430 -7.189 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.419 -7.398 -7.950 1.00 0.00 C ATOM 1305 C TRP A 84 -11.500 -6.701 -8.769 1.00 0.00 C ATOM 1306 O TRP A 84 -12.079 -7.292 -9.679 1.00 0.00 O ATOM 1307 CB TRP A 84 -11.056 -8.422 -7.008 1.00 0.00 C ATOM 1308 CG TRP A 84 -10.097 -9.473 -6.538 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.787 -9.779 -5.243 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.321 -10.354 -7.357 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.865 -10.798 -5.209 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.564 -11.169 -6.493 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.194 -10.536 -8.737 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.694 -12.147 -6.965 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.330 -11.507 -9.204 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.589 -12.304 -8.321 1.00 0.00 C ATOM 0 H TRP A 84 -10.146 -5.982 -6.427 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.746 -7.914 -8.635 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.467 -7.902 -6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.891 -8.904 -7.517 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -10.205 -9.292 -4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.469 -11.211 -4.365 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.762 -9.928 -9.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.122 -12.761 -6.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.224 -11.655 -10.269 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.923 -13.056 -8.718 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.767 -5.441 -8.439 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.780 -4.664 -9.144 1.00 0.00 C ATOM 1329 C ASN A 85 -12.131 -3.655 -10.087 1.00 0.00 C ATOM 1330 O ASN A 85 -12.482 -3.577 -11.265 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.683 -3.938 -8.145 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.006 -4.790 -6.933 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -14.651 -5.833 -7.047 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -13.559 -4.348 -5.764 1.00 0.00 N ATOM 0 H ASN A 85 -11.296 -4.937 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.384 -5.352 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.196 -3.019 -7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.610 -3.649 -8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.746 -4.878 -4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.028 -3.478 -5.717 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.184 -2.887 -9.562 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.485 -1.884 -10.357 1.00 0.00 C ATOM 1343 C ASP A 86 -9.586 -2.544 -11.398 1.00 0.00 C ATOM 1344 O ASP A 86 -8.393 -2.742 -11.167 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.654 -0.973 -9.452 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.325 0.363 -9.201 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -10.817 0.971 -10.174 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -10.358 0.800 -8.031 1.00 0.00 O ATOM 0 H ASP A 86 -10.882 -2.939 -8.589 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.232 -1.284 -10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.480 -1.473 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.678 -0.806 -9.907 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.168 -2.885 -12.543 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.420 -3.525 -13.619 1.00 0.00 C ATOM 1355 C LEU A 87 -8.389 -2.568 -14.210 1.00 0.00 C ATOM 1356 O LEU A 87 -7.414 -2.995 -14.827 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.374 -4.004 -14.715 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.248 -2.929 -15.361 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -10.544 -2.318 -16.562 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.595 -3.509 -15.768 1.00 0.00 C ATOM 0 H LEU A 87 -11.155 -2.729 -12.750 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.894 -4.384 -13.202 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.785 -4.484 -15.497 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.026 -4.769 -14.293 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.421 -2.141 -14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.182 -1.555 -17.008 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.606 -1.865 -16.242 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.339 -3.095 -17.298 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.204 -2.729 -16.226 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.442 -4.317 -16.483 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.106 -3.897 -14.886 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.611 -1.272 -14.014 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.700 -0.255 -14.526 1.00 0.00 C ATOM 1374 C GLU A 88 -6.260 -0.566 -14.129 1.00 0.00 C ATOM 1375 O GLU A 88 -5.389 -0.721 -14.984 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.098 1.127 -14.005 1.00 0.00 C ATOM 1377 CG GLU A 88 -9.312 1.715 -14.705 1.00 0.00 C ATOM 1378 CD GLU A 88 -9.820 2.975 -14.032 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.344 4.073 -14.388 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -10.695 2.863 -13.148 1.00 0.00 O ATOM 0 H GLU A 88 -9.413 -0.902 -13.505 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.767 -0.258 -15.614 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.303 1.058 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.255 1.808 -14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.057 1.939 -15.741 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.109 0.972 -14.727 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.018 -0.653 -12.825 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.685 -0.946 -12.314 1.00 0.00 C ATOM 1389 C ALA A 89 -4.299 -2.396 -12.586 1.00 0.00 C ATOM 1390 O ALA A 89 -3.117 -2.741 -12.606 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.615 -0.650 -10.823 1.00 0.00 C ATOM 0 H ALA A 89 -6.728 -0.525 -12.104 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.974 -0.305 -12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.614 -0.873 -10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.839 0.403 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.342 -1.267 -10.295 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.302 -3.242 -12.794 1.00 0.00 N ATOM 1398 CA PHE A 90 -5.067 -4.655 -13.063 1.00 0.00 C ATOM 1399 C PHE A 90 -4.370 -4.845 -14.406 1.00 0.00 C ATOM 1400 O PHE A 90 -3.631 -5.810 -14.604 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.389 -5.426 -13.049 1.00 0.00 C ATOM 1402 CG PHE A 90 -6.239 -6.880 -13.391 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -5.154 -7.607 -12.926 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -7.183 -7.522 -14.176 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -5.013 -8.945 -13.240 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -7.048 -8.861 -14.494 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.962 -9.573 -14.024 1.00 0.00 C ATOM 0 H PHE A 90 -6.286 -2.973 -12.781 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.418 -5.045 -12.278 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.841 -5.338 -12.061 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.077 -4.964 -13.757 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.410 -7.122 -12.311 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.035 -6.970 -14.544 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.162 -9.500 -12.873 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.790 -9.349 -15.109 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.855 -10.619 -14.269 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.610 -3.918 -15.326 1.00 0.00 N ATOM 1418 CA TRP A 91 -4.006 -3.982 -16.652 1.00 0.00 C ATOM 1419 C TRP A 91 -2.505 -3.725 -16.580 1.00 0.00 C ATOM 1420 O TRP A 91 -1.749 -4.154 -17.451 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.665 -2.966 -17.586 1.00 0.00 C ATOM 1422 CG TRP A 91 -4.436 -3.258 -19.038 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -4.341 -4.489 -19.622 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -4.272 -2.300 -20.089 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -4.127 -4.354 -20.973 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -4.082 -3.021 -21.284 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -4.269 -0.903 -20.137 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -3.890 -2.390 -22.511 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -4.077 -0.279 -21.355 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -3.891 -1.022 -22.529 1.00 0.00 C ATOM 0 H TRP A 91 -5.219 -3.113 -15.178 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.166 -4.985 -17.047 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.737 -2.947 -17.391 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.282 -1.971 -17.358 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -4.422 -5.430 -19.099 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.019 -5.122 -21.636 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -4.414 -0.322 -19.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.745 -2.961 -23.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.070 0.800 -21.403 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.746 -0.505 -23.466 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.079 -3.022 -15.535 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.668 -2.710 -15.348 1.00 0.00 C ATOM 1443 C ALA A 92 0.091 -3.909 -14.791 1.00 0.00 C ATOM 1444 O ALA A 92 1.162 -4.263 -15.283 1.00 0.00 O ATOM 1445 CB ALA A 92 -0.511 -1.509 -14.427 1.00 0.00 C ATOM 0 H ALA A 92 -2.692 -2.658 -14.805 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.243 -2.466 -16.322 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.548 -1.287 -14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.011 -0.646 -14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.957 -1.733 -13.458 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.471 -4.532 -13.759 1.00 0.00 N ATOM 1452 CA VAL A 93 0.152 -5.692 -13.135 1.00 0.00 C ATOM 1453 C VAL A 93 0.186 -6.879 -14.091 1.00 0.00 C ATOM 1454 O VAL A 93 1.236 -7.480 -14.317 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.589 -6.104 -11.849 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -0.169 -7.499 -11.414 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.335 -5.092 -10.741 1.00 0.00 C ATOM 0 H VAL A 93 -1.357 -4.252 -13.338 1.00 0.00 H new ATOM 0 HA VAL A 93 1.172 -5.404 -12.881 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.659 -6.121 -12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.703 -7.773 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.407 -8.213 -12.203 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.904 -7.513 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.866 -5.398 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.734 -5.041 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.691 -4.111 -11.056 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.972 -7.213 -14.651 1.00 0.00 N ATOM 1468 CA LYS A 94 -1.077 -8.328 -15.585 1.00 0.00 C ATOM 1469 C LYS A 94 -0.085 -8.171 -16.733 1.00 0.00 C ATOM 1470 O LYS A 94 0.438 -9.157 -17.254 1.00 0.00 O ATOM 1471 CB LYS A 94 -2.501 -8.424 -16.138 1.00 0.00 C ATOM 1472 CG LYS A 94 -2.674 -9.507 -17.189 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.655 -10.894 -16.568 1.00 0.00 C ATOM 1474 CE LYS A 94 -3.990 -11.235 -15.925 1.00 0.00 C ATOM 1475 NZ LYS A 94 -4.559 -12.500 -16.466 1.00 0.00 N ATOM 0 H LYS A 94 -1.851 -6.727 -14.474 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.840 -9.245 -15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.189 -8.615 -15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.780 -7.463 -16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.616 -9.356 -17.717 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.878 -9.428 -17.929 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.419 -11.633 -17.333 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.865 -10.948 -15.819 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.861 -11.327 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.693 -10.419 -16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.469 -12.698 -16.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.706 -12.404 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.900 -13.283 -16.283 1.00 0.00 H new ATOM 1489 N LYS A 95 0.172 -6.927 -17.122 1.00 0.00 N ATOM 1490 CA LYS A 95 1.104 -6.640 -18.206 1.00 0.00 C ATOM 1491 C LYS A 95 2.545 -6.859 -17.757 1.00 0.00 C ATOM 1492 O LYS A 95 3.424 -7.135 -18.573 1.00 0.00 O ATOM 1493 CB LYS A 95 0.924 -5.201 -18.694 1.00 0.00 C ATOM 1494 CG LYS A 95 1.634 -4.910 -20.005 1.00 0.00 C ATOM 1495 CD LYS A 95 1.235 -3.556 -20.566 1.00 0.00 C ATOM 1496 CE LYS A 95 1.442 -3.493 -22.072 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.248 -3.981 -22.817 1.00 0.00 N ATOM 0 H LYS A 95 -0.253 -6.100 -16.702 1.00 0.00 H new ATOM 0 HA LYS A 95 0.889 -7.325 -19.026 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.140 -4.997 -18.814 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.295 -4.518 -17.930 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.713 -4.937 -19.850 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.397 -5.689 -20.729 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.189 -3.359 -20.333 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.822 -2.774 -20.084 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.659 -2.466 -22.366 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.310 -4.093 -22.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.429 -3.922 -23.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.056 -4.969 -22.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.575 -3.393 -22.577 1.00 0.00 H new ATOM 1511 N ALA A 96 2.779 -6.737 -16.454 1.00 0.00 N ATOM 1512 CA ALA A 96 4.113 -6.925 -15.897 1.00 0.00 C ATOM 1513 C ALA A 96 4.516 -8.395 -15.922 1.00 0.00 C ATOM 1514 O ALA A 96 5.679 -8.727 -16.156 1.00 0.00 O ATOM 1515 CB ALA A 96 4.172 -6.384 -14.476 1.00 0.00 C ATOM 0 H ALA A 96 2.062 -6.509 -15.765 1.00 0.00 H new ATOM 0 HA ALA A 96 4.820 -6.371 -16.515 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.174 -6.531 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.935 -5.320 -14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.449 -6.913 -13.855 1.00 0.00 H new ATOM 1521 N PHE A 97 3.548 -9.273 -15.680 1.00 0.00 N ATOM 1522 CA PHE A 97 3.803 -10.709 -15.674 1.00 0.00 C ATOM 1523 C PHE A 97 4.175 -11.202 -17.070 1.00 0.00 C ATOM 1524 O PHE A 97 5.084 -12.016 -17.229 1.00 0.00 O ATOM 1525 CB PHE A 97 2.574 -11.465 -15.165 1.00 0.00 C ATOM 1526 CG PHE A 97 2.639 -11.798 -13.702 1.00 0.00 C ATOM 1527 CD1 PHE A 97 2.425 -10.820 -12.744 1.00 0.00 C ATOM 1528 CD2 PHE A 97 2.915 -13.091 -13.284 1.00 0.00 C ATOM 1529 CE1 PHE A 97 2.483 -11.124 -11.397 1.00 0.00 C ATOM 1530 CE2 PHE A 97 2.974 -13.400 -11.939 1.00 0.00 C ATOM 1531 CZ PHE A 97 2.759 -12.416 -10.994 1.00 0.00 C ATOM 0 H PHE A 97 2.580 -9.015 -15.486 1.00 0.00 H new ATOM 0 HA PHE A 97 4.642 -10.900 -15.005 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.684 -10.865 -15.354 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.463 -12.387 -15.735 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.210 -9.808 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.086 -13.865 -14.018 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.313 -10.353 -10.661 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.188 -14.411 -11.626 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.807 -12.656 -9.942 1.00 0.00 H new ATOM 1541 N GLU A 98 3.465 -10.702 -18.076 1.00 0.00 N ATOM 1542 CA GLU A 98 3.720 -11.092 -19.458 1.00 0.00 C ATOM 1543 C GLU A 98 4.978 -10.414 -19.991 1.00 0.00 C ATOM 1544 O GLU A 98 5.710 -10.988 -20.797 1.00 0.00 O ATOM 1545 CB GLU A 98 2.522 -10.736 -20.340 1.00 0.00 C ATOM 1546 CG GLU A 98 2.068 -9.292 -20.198 1.00 0.00 C ATOM 1547 CD GLU A 98 1.164 -8.850 -21.332 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -0.019 -9.248 -21.338 1.00 0.00 O ATOM 1549 OE2 GLU A 98 1.641 -8.106 -22.215 1.00 0.00 O ATOM 0 H GLU A 98 2.709 -10.027 -17.960 1.00 0.00 H new ATOM 0 HA GLU A 98 3.872 -12.171 -19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.780 -10.926 -21.382 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.690 -11.395 -20.092 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.542 -9.172 -19.251 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.942 -8.642 -20.161 1.00 0.00 H new ATOM 1556 N GLN A 99 5.221 -9.189 -19.536 1.00 0.00 N ATOM 1557 CA GLN A 99 6.390 -8.432 -19.969 1.00 0.00 C ATOM 1558 C GLN A 99 7.654 -8.946 -19.288 1.00 0.00 C ATOM 1559 O GLN A 99 8.738 -8.923 -19.871 1.00 0.00 O ATOM 1560 CB GLN A 99 6.202 -6.945 -19.666 1.00 0.00 C ATOM 1561 CG GLN A 99 5.271 -6.239 -20.638 1.00 0.00 C ATOM 1562 CD GLN A 99 5.877 -6.085 -22.019 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.059 -6.362 -22.226 1.00 0.00 O ATOM 1564 NE2 GLN A 99 5.069 -5.641 -22.975 1.00 0.00 N ATOM 0 H GLN A 99 4.625 -8.700 -18.868 1.00 0.00 H new ATOM 0 HA GLN A 99 6.499 -8.565 -21.045 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.809 -6.836 -18.655 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.174 -6.453 -19.685 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.339 -6.799 -20.715 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.019 -5.254 -20.244 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.096 -5.423 -22.760 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.421 -5.518 -23.924 1.00 0.00 H new ATOM 1573 N ALA A 100 7.508 -9.409 -18.051 1.00 0.00 N ATOM 1574 CA ALA A 100 8.637 -9.930 -17.291 1.00 0.00 C ATOM 1575 C ALA A 100 9.174 -11.213 -17.916 1.00 0.00 C ATOM 1576 O ALA A 100 10.384 -11.398 -18.037 1.00 0.00 O ATOM 1577 CB ALA A 100 8.233 -10.173 -15.845 1.00 0.00 C ATOM 0 H ALA A 100 6.618 -9.434 -17.554 1.00 0.00 H new ATOM 0 HA ALA A 100 9.433 -9.186 -17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.086 -10.562 -15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.905 -9.235 -15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.418 -10.896 -15.812 1.00 0.00 H new ATOM 1583 N GLY A 101 8.264 -12.099 -18.311 1.00 0.00 N ATOM 1584 CA GLY A 101 8.666 -13.355 -18.917 1.00 0.00 C ATOM 1585 C GLY A 101 9.373 -13.158 -20.243 1.00 0.00 C ATOM 1586 O GLY A 101 10.086 -14.045 -20.713 1.00 0.00 O ATOM 0 H GLY A 101 7.256 -11.969 -18.222 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.325 -13.890 -18.233 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.786 -13.981 -19.067 1.00 0.00 H new ATOM 1590 N LYS A 102 9.174 -11.994 -20.851 1.00 0.00 N ATOM 1591 CA LYS A 102 9.797 -11.682 -22.132 1.00 0.00 C ATOM 1592 C LYS A 102 11.291 -11.426 -21.962 1.00 0.00 C ATOM 1593 O LYS A 102 12.117 -12.076 -22.601 1.00 0.00 O ATOM 1594 CB LYS A 102 9.127 -10.460 -22.764 1.00 0.00 C ATOM 1595 CG LYS A 102 7.995 -10.809 -23.713 1.00 0.00 C ATOM 1596 CD LYS A 102 7.387 -9.565 -24.338 1.00 0.00 C ATOM 1597 CE LYS A 102 8.169 -9.118 -25.564 1.00 0.00 C ATOM 1598 NZ LYS A 102 8.012 -10.070 -26.699 1.00 0.00 N ATOM 0 H LYS A 102 8.585 -11.250 -20.477 1.00 0.00 H new ATOM 0 HA LYS A 102 9.666 -12.541 -22.790 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.741 -9.818 -21.972 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.878 -9.883 -23.304 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.367 -11.467 -24.498 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.224 -11.360 -23.174 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.353 -9.766 -24.618 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.368 -8.760 -23.604 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.830 -8.128 -25.870 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.225 -9.028 -25.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.241 -9.587 -27.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.655 -10.877 -26.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.030 -10.411 -26.732 1.00 0.00 H new ATOM 1612 N GLU A 103 11.629 -10.475 -21.097 1.00 0.00 N ATOM 1613 CA GLU A 103 13.025 -10.135 -20.844 1.00 0.00 C ATOM 1614 C GLU A 103 13.713 -11.229 -20.033 1.00 0.00 C ATOM 1615 O GLU A 103 14.873 -11.562 -20.278 1.00 0.00 O ATOM 1616 CB GLU A 103 13.121 -8.799 -20.104 1.00 0.00 C ATOM 1617 CG GLU A 103 12.338 -8.767 -18.802 1.00 0.00 C ATOM 1618 CD GLU A 103 12.448 -7.433 -18.088 1.00 0.00 C ATOM 1619 OE1 GLU A 103 13.585 -7.013 -17.789 1.00 0.00 O ATOM 1620 OE2 GLU A 103 11.397 -6.811 -17.828 1.00 0.00 O ATOM 0 H GLU A 103 10.957 -9.927 -20.560 1.00 0.00 H new ATOM 0 HA GLU A 103 13.531 -10.047 -21.805 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.169 -8.584 -19.894 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.758 -8.005 -20.756 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.289 -8.979 -19.008 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.700 -9.558 -18.145 1.00 0.00 H new ATOM 1627 N LEU A 104 12.991 -11.783 -19.066 1.00 0.00 N ATOM 1628 CA LEU A 104 13.531 -12.839 -18.217 1.00 0.00 C ATOM 1629 C LEU A 104 13.634 -14.154 -18.983 1.00 0.00 C ATOM 1630 O LEU A 104 14.373 -15.057 -18.591 1.00 0.00 O ATOM 1631 CB LEU A 104 12.652 -13.026 -16.979 1.00 0.00 C ATOM 1632 CG LEU A 104 12.647 -11.868 -15.979 1.00 0.00 C ATOM 1633 CD1 LEU A 104 11.289 -11.751 -15.305 1.00 0.00 C ATOM 1634 CD2 LEU A 104 13.745 -12.055 -14.942 1.00 0.00 C ATOM 0 H LEU A 104 12.030 -11.519 -18.850 1.00 0.00 H new ATOM 0 HA LEU A 104 14.532 -12.542 -17.903 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.628 -13.200 -17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.977 -13.927 -16.459 1.00 0.00 H new ATOM 0 HG LEU A 104 12.841 -10.943 -16.522 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.304 -10.922 -14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.523 -11.570 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.065 -12.677 -14.775 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.727 -11.222 -14.239 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.582 -12.988 -14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.714 -12.088 -15.440 1.00 0.00 H new ATOM 1646 N GLY A 105 12.890 -14.254 -20.081 1.00 0.00 N ATOM 1647 CA GLY A 105 12.914 -15.461 -20.886 1.00 0.00 C ATOM 1648 C GLY A 105 12.077 -16.574 -20.288 1.00 0.00 C ATOM 1649 O GLY A 105 11.989 -17.665 -20.852 1.00 0.00 O ATOM 0 H GLY A 105 12.271 -13.521 -20.427 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.548 -15.233 -21.887 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.944 -15.802 -20.993 1.00 0.00 H new ATOM 1653 N ILE A 106 11.461 -16.299 -19.143 1.00 0.00 N ATOM 1654 CA ILE A 106 10.628 -17.287 -18.468 1.00 0.00 C ATOM 1655 C ILE A 106 9.213 -17.292 -19.036 1.00 0.00 C ATOM 1656 O ILE A 106 8.569 -16.248 -19.139 1.00 0.00 O ATOM 1657 CB ILE A 106 10.560 -17.024 -16.952 1.00 0.00 C ATOM 1658 CG1 ILE A 106 11.826 -17.539 -16.265 1.00 0.00 C ATOM 1659 CG2 ILE A 106 9.323 -17.680 -16.356 1.00 0.00 C ATOM 1660 CD1 ILE A 106 12.882 -16.474 -16.067 1.00 0.00 C ATOM 0 H ILE A 106 11.523 -15.401 -18.664 1.00 0.00 H new ATOM 0 HA ILE A 106 11.089 -18.260 -18.639 1.00 0.00 H new ATOM 0 HB ILE A 106 10.493 -15.949 -16.788 1.00 0.00 H new ATOM 0 HG12 ILE A 106 11.558 -17.959 -15.295 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.247 -18.351 -16.858 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.289 -17.485 -15.284 1.00 0.00 H new ATOM 0 HG22 ILE A 106 8.430 -17.270 -16.828 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.363 -18.756 -16.528 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.751 -16.910 -15.575 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.178 -16.071 -17.035 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.479 -15.672 -15.448 1.00 0.00 H new ATOM 1672 N LYS A 107 8.733 -18.476 -19.402 1.00 0.00 N ATOM 1673 CA LYS A 107 7.392 -18.620 -19.957 1.00 0.00 C ATOM 1674 C LYS A 107 6.342 -18.091 -18.986 1.00 0.00 C ATOM 1675 O LYS A 107 6.524 -18.144 -17.769 1.00 0.00 O ATOM 1676 CB LYS A 107 7.108 -20.088 -20.284 1.00 0.00 C ATOM 1677 CG LYS A 107 7.385 -20.454 -21.732 1.00 0.00 C ATOM 1678 CD LYS A 107 8.855 -20.769 -21.955 1.00 0.00 C ATOM 1679 CE LYS A 107 9.631 -19.535 -22.388 1.00 0.00 C ATOM 1680 NZ LYS A 107 9.765 -19.455 -23.869 1.00 0.00 N ATOM 0 H LYS A 107 9.253 -19.350 -19.324 1.00 0.00 H new ATOM 0 HA LYS A 107 7.340 -18.034 -20.874 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.715 -20.720 -19.636 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.065 -20.307 -20.056 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.780 -21.316 -22.013 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.086 -19.630 -22.380 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.286 -21.167 -21.036 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.951 -21.545 -22.714 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.127 -18.641 -22.020 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.622 -19.551 -21.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.300 -18.600 -24.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.269 -20.295 -24.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.820 -19.414 -24.301 1.00 0.00 H new ATOM 1694 N LEU A 108 5.241 -17.584 -19.531 1.00 0.00 N ATOM 1695 CA LEU A 108 4.160 -17.047 -18.712 1.00 0.00 C ATOM 1696 C LEU A 108 2.928 -16.754 -19.561 1.00 0.00 C ATOM 1697 O LEU A 108 3.002 -16.024 -20.550 1.00 0.00 O ATOM 1698 CB LEU A 108 4.617 -15.773 -18.000 1.00 0.00 C ATOM 1699 CG LEU A 108 3.892 -15.435 -16.696 1.00 0.00 C ATOM 1700 CD1 LEU A 108 2.389 -15.388 -16.919 1.00 0.00 C ATOM 1701 CD2 LEU A 108 4.241 -16.446 -15.614 1.00 0.00 C ATOM 0 H LEU A 108 5.074 -17.534 -20.536 1.00 0.00 H new ATOM 0 HA LEU A 108 3.895 -17.797 -17.967 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.682 -15.862 -17.787 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.498 -14.935 -18.686 1.00 0.00 H new ATOM 0 HG LEU A 108 4.221 -14.450 -16.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.889 -15.146 -15.981 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.155 -14.625 -17.662 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.043 -16.359 -17.274 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.716 -16.190 -14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.941 -17.443 -15.937 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.316 -16.431 -15.435 1.00 0.00 H new ATOM 2062 N HIS A 133 -4.300 -17.002 -11.949 1.00 0.00 N ATOM 2063 CA HIS A 133 -3.377 -18.125 -12.069 1.00 0.00 C ATOM 2064 C HIS A 133 -2.466 -17.953 -13.281 1.00 0.00 C ATOM 2065 O HIS A 133 -2.876 -17.408 -14.306 1.00 0.00 O ATOM 2066 CB HIS A 133 -4.151 -19.439 -12.181 1.00 0.00 C ATOM 2067 CG HIS A 133 -3.336 -20.646 -11.831 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -2.330 -20.627 -10.887 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -3.383 -21.914 -12.302 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.794 -21.830 -10.795 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -2.415 -22.630 -11.643 1.00 0.00 N ATOM 0 HA HIS A 133 -2.758 -18.152 -11.172 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -5.021 -19.396 -11.526 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -4.524 -19.546 -13.200 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -2.045 -19.811 -10.345 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -4.057 -22.292 -13.056 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.985 -22.112 -10.138 1.00 0.00 H new ATOM 2079 N VAL A 134 -1.228 -18.419 -13.156 1.00 0.00 N ATOM 2080 CA VAL A 134 -0.259 -18.317 -14.240 1.00 0.00 C ATOM 2081 C VAL A 134 0.597 -19.575 -14.333 1.00 0.00 C ATOM 2082 O VAL A 134 1.186 -20.011 -13.345 1.00 0.00 O ATOM 2083 CB VAL A 134 0.662 -17.095 -14.057 1.00 0.00 C ATOM 2084 CG1 VAL A 134 -0.152 -15.810 -14.048 1.00 0.00 C ATOM 2085 CG2 VAL A 134 1.476 -17.229 -12.779 1.00 0.00 C ATOM 0 H VAL A 134 -0.872 -18.871 -12.314 1.00 0.00 H new ATOM 0 HA VAL A 134 -0.828 -18.199 -15.162 1.00 0.00 H new ATOM 0 HB VAL A 134 1.353 -17.053 -14.899 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.515 -14.958 -13.918 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -0.687 -15.711 -14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.868 -15.839 -13.227 1.00 0.00 H new ATOM 0 HG21 VAL A 134 2.121 -16.358 -12.665 1.00 0.00 H new ATOM 0 HG22 VAL A 134 0.803 -17.296 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 134 2.088 -18.129 -12.830 1.00 0.00 H new ATOM 2095 N GLU A 135 0.662 -20.153 -15.529 1.00 0.00 N ATOM 2096 CA GLU A 135 1.446 -21.362 -15.750 1.00 0.00 C ATOM 2097 C GLU A 135 2.474 -21.149 -16.858 1.00 0.00 C ATOM 2098 O GLU A 135 2.469 -20.119 -17.535 1.00 0.00 O ATOM 2099 CB GLU A 135 0.529 -22.533 -16.109 1.00 0.00 C ATOM 2100 CG GLU A 135 -0.530 -22.183 -17.141 1.00 0.00 C ATOM 2101 CD GLU A 135 0.065 -21.839 -18.492 1.00 0.00 C ATOM 2102 OE1 GLU A 135 1.050 -22.495 -18.891 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.455 -20.914 -19.151 1.00 0.00 O ATOM 0 H GLU A 135 0.182 -19.804 -16.358 1.00 0.00 H new ATOM 0 HA GLU A 135 1.976 -21.594 -14.826 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.136 -23.356 -16.488 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.038 -22.890 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.215 -23.024 -17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.118 -21.339 -16.781 1.00 0.00 H new ATOM 2110 N LEU A 136 3.353 -22.128 -17.038 1.00 0.00 N ATOM 2111 CA LEU A 136 4.388 -22.048 -18.063 1.00 0.00 C ATOM 2112 C LEU A 136 3.904 -22.660 -19.374 1.00 0.00 C ATOM 2113 O LEU A 136 3.508 -23.825 -19.418 1.00 0.00 O ATOM 2114 CB LEU A 136 5.656 -22.762 -17.592 1.00 0.00 C ATOM 2115 CG LEU A 136 6.291 -22.225 -16.308 1.00 0.00 C ATOM 2116 CD1 LEU A 136 6.284 -20.705 -16.304 1.00 0.00 C ATOM 2117 CD2 LEU A 136 5.562 -22.767 -15.087 1.00 0.00 C ATOM 0 H LEU A 136 3.370 -22.987 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 136 4.613 -20.996 -18.235 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.422 -23.816 -17.444 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.397 -22.709 -18.390 1.00 0.00 H new ATOM 0 HG LEU A 136 7.327 -22.562 -16.268 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.740 -20.341 -15.383 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.850 -20.336 -17.159 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.257 -20.346 -16.367 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.027 -22.375 -14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.517 -22.459 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.620 -23.855 -15.082 1.00 0.00 H new ATOM 2129 N VAL A 137 3.940 -21.867 -20.440 1.00 0.00 N ATOM 2130 CA VAL A 137 3.508 -22.332 -21.753 1.00 0.00 C ATOM 2131 C VAL A 137 4.692 -22.471 -22.703 1.00 0.00 C ATOM 2132 O VAL A 137 4.485 -22.595 -23.909 1.00 0.00 O ATOM 2133 CB VAL A 137 2.474 -21.374 -22.375 1.00 0.00 C ATOM 2134 CG1 VAL A 137 1.162 -21.432 -21.608 1.00 0.00 C ATOM 2135 CG2 VAL A 137 3.018 -19.953 -22.409 1.00 0.00 C ATOM 0 H VAL A 137 4.264 -20.900 -20.420 1.00 0.00 H new ATOM 0 HA VAL A 137 3.046 -23.308 -21.607 1.00 0.00 H new ATOM 0 HB VAL A 137 2.282 -21.691 -23.400 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.444 -20.749 -22.062 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.767 -22.447 -21.640 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.333 -21.142 -20.571 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.275 -19.289 -22.851 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.240 -19.624 -21.394 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.929 -19.927 -23.006 1.00 0.00 H new