USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 682 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 21 SER OG : rot -62:sc= 0.685 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.0623 (180deg=-0.522) USER MOD Single : A 11 THR OG1 : rot 63:sc= 1.18 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0831 K(o=-0.083,f=-1.8) USER MOD Single : A 33 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.16) USER MOD Single : A 40 TYR OH : rot 110:sc= -0.167 USER MOD Single : A 43 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.26) USER MOD Single : A 46 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -0.0488 (180deg=-0.642) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 106 ASN : amide:sc= -0.346! X(o=-0.35!,f=-0.77) USER MOD Single : A 109 SER OG : rot 91:sc= 1.18 USER MOD Single : A 113 LYS NZ :NH3+ -139:sc= -0.366 (180deg=-0.785) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 7.132 9.426 2.062 1.00 1.00 N ATOM 33 CA LEU A 3 6.195 8.732 2.988 1.00 1.00 C ATOM 34 C LEU A 3 6.152 7.194 2.697 1.00 1.00 C ATOM 35 O LEU A 3 6.404 6.807 1.557 1.00 1.00 O ATOM 36 CB LEU A 3 4.767 9.367 2.857 1.00 1.00 C ATOM 37 CG LEU A 3 4.617 10.658 3.731 1.00 1.00 C ATOM 38 CD1 LEU A 3 5.664 11.722 3.324 1.00 1.00 C ATOM 39 CD2 LEU A 3 3.189 11.235 3.561 1.00 1.00 C ATOM 0 HA LEU A 3 6.549 8.860 4.011 1.00 1.00 H new ATOM 0 HB2 LEU A 3 4.573 9.612 1.813 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.016 8.636 3.158 1.00 1.00 H new ATOM 0 HG LEU A 3 4.784 10.394 4.775 1.00 1.00 H new ATOM 0 HD11 LEU A 3 5.541 12.610 3.944 1.00 1.00 H new ATOM 0 HD12 LEU A 3 6.667 11.318 3.464 1.00 1.00 H new ATOM 0 HD13 LEU A 3 5.523 11.989 2.277 1.00 1.00 H new ATOM 0 HD21 LEU A 3 3.085 12.133 4.169 1.00 1.00 H new ATOM 0 HD22 LEU A 3 3.020 11.484 2.514 1.00 1.00 H new ATOM 0 HD23 LEU A 3 2.457 10.494 3.880 1.00 1.00 H new ATOM 51 N PRO A 4 5.841 6.366 3.659 1.00 1.00 N ATOM 52 CA PRO A 4 5.782 4.868 3.416 1.00 1.00 C ATOM 53 C PRO A 4 4.921 4.497 2.203 1.00 1.00 C ATOM 54 O PRO A 4 5.118 3.461 1.568 1.00 1.00 O ATOM 55 CB PRO A 4 5.153 4.297 4.724 1.00 1.00 C ATOM 56 CG PRO A 4 5.565 5.283 5.771 1.00 1.00 C ATOM 57 CD PRO A 4 5.493 6.665 5.084 1.00 1.00 C ATOM 0 HA PRO A 4 6.770 4.464 3.195 1.00 1.00 H new ATOM 0 HB2 PRO A 4 4.068 4.222 4.648 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.527 3.297 4.945 1.00 1.00 H new ATOM 0 HG2 PRO A 4 4.902 5.239 6.635 1.00 1.00 H new ATOM 0 HG3 PRO A 4 6.573 5.075 6.131 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.499 7.105 5.171 1.00 1.00 H new ATOM 0 HD3 PRO A 4 6.194 7.371 5.529 1.00 1.00 H new ATOM 65 N ILE A 5 3.941 5.347 1.913 1.00 1.00 N ATOM 66 CA ILE A 5 3.008 5.120 0.782 1.00 1.00 C ATOM 67 C ILE A 5 3.274 6.140 -0.339 1.00 1.00 C ATOM 68 O ILE A 5 3.408 7.339 -0.097 1.00 1.00 O ATOM 69 CB ILE A 5 1.538 5.239 1.285 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.293 4.184 2.421 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.540 4.981 0.109 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.049 4.431 3.125 1.00 1.00 C ATOM 0 H ILE A 5 3.761 6.203 2.437 1.00 1.00 H new ATOM 0 HA ILE A 5 3.167 4.119 0.382 1.00 1.00 H new ATOM 0 HB ILE A 5 1.374 6.245 1.672 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.306 3.180 1.998 1.00 1.00 H new ATOM 0 HG13 ILE A 5 2.103 4.233 3.148 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.483 5.067 0.475 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.707 5.716 -0.678 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.699 3.979 -0.290 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.192 3.685 3.907 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.049 5.427 3.568 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -0.859 4.356 2.400 1.00 1.00 H new ATOM 84 N THR A 6 3.319 5.640 -1.570 1.00 1.00 N ATOM 85 CA THR A 6 3.551 6.497 -2.756 1.00 1.00 C ATOM 86 C THR A 6 2.728 5.992 -3.948 1.00 1.00 C ATOM 87 O THR A 6 2.651 4.789 -4.199 1.00 1.00 O ATOM 88 CB THR A 6 5.056 6.500 -3.126 1.00 1.00 C ATOM 89 OG1 THR A 6 5.451 5.194 -3.530 1.00 1.00 O ATOM 90 CG2 THR A 6 5.913 6.935 -1.915 1.00 1.00 C ATOM 0 H THR A 6 3.200 4.650 -1.785 1.00 1.00 H new ATOM 0 HA THR A 6 3.239 7.513 -2.515 1.00 1.00 H new ATOM 0 HB THR A 6 5.210 7.206 -3.942 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.402 5.198 -3.765 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.967 6.931 -2.195 1.00 1.00 H new ATOM 0 HG22 THR A 6 5.623 7.940 -1.606 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.754 6.242 -1.089 1.00 1.00 H new ATOM 98 N LEU A 7 2.129 6.924 -4.680 1.00 1.00 N ATOM 99 CA LEU A 7 1.297 6.585 -5.864 1.00 1.00 C ATOM 100 C LEU A 7 1.632 7.513 -7.035 1.00 1.00 C ATOM 101 O LEU A 7 2.141 8.619 -6.849 1.00 1.00 O ATOM 102 CB LEU A 7 -0.225 6.701 -5.507 1.00 1.00 C ATOM 103 CG LEU A 7 -0.531 8.012 -4.663 1.00 1.00 C ATOM 104 CD1 LEU A 7 -1.900 8.622 -5.064 1.00 1.00 C ATOM 105 CD2 LEU A 7 -0.553 7.682 -3.145 1.00 1.00 C ATOM 0 H LEU A 7 2.194 7.924 -4.488 1.00 1.00 H new ATOM 0 HA LEU A 7 1.514 5.558 -6.158 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.814 6.712 -6.424 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.534 5.823 -4.940 1.00 1.00 H new ATOM 0 HG LEU A 7 0.258 8.734 -4.873 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.086 9.518 -4.472 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -1.886 8.882 -6.122 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.691 7.895 -4.880 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.764 8.589 -2.578 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.327 6.941 -2.945 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.416 7.284 -2.845 1.00 1.00 H new ATOM 117 N SER A 8 1.333 7.050 -8.244 1.00 1.00 N ATOM 118 CA SER A 8 1.585 7.819 -9.471 1.00 1.00 C ATOM 119 C SER A 8 0.421 8.790 -9.722 1.00 1.00 C ATOM 120 O SER A 8 -0.699 8.369 -10.011 1.00 1.00 O ATOM 121 CB SER A 8 1.731 6.845 -10.657 1.00 1.00 C ATOM 122 OG SER A 8 2.824 5.967 -10.403 1.00 1.00 O ATOM 0 H SER A 8 0.911 6.136 -8.408 1.00 1.00 H new ATOM 0 HA SER A 8 2.504 8.395 -9.363 1.00 1.00 H new ATOM 0 HB2 SER A 8 0.812 6.274 -10.791 1.00 1.00 H new ATOM 0 HB3 SER A 8 1.899 7.399 -11.581 1.00 1.00 H new ATOM 0 HG SER A 8 2.923 5.343 -11.152 1.00 1.00 H new ATOM 128 N LYS A 9 0.704 10.085 -9.624 1.00 1.00 N ATOM 129 CA LYS A 9 -0.312 11.139 -9.818 1.00 1.00 C ATOM 130 C LYS A 9 0.313 12.384 -10.473 1.00 1.00 C ATOM 131 O LYS A 9 0.164 13.502 -9.981 1.00 1.00 O ATOM 132 CB LYS A 9 -0.966 11.476 -8.450 1.00 1.00 C ATOM 133 CG LYS A 9 0.118 11.815 -7.397 1.00 1.00 C ATOM 134 CD LYS A 9 -0.541 12.228 -6.060 1.00 1.00 C ATOM 135 CE LYS A 9 0.546 12.539 -5.010 1.00 1.00 C ATOM 136 NZ LYS A 9 1.420 13.636 -5.513 1.00 1.00 N ATOM 0 H LYS A 9 1.635 10.442 -9.410 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.088 10.779 -10.494 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.647 12.320 -8.564 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -1.562 10.630 -8.107 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.764 10.951 -7.240 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.750 12.624 -7.764 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -1.173 13.103 -6.212 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -1.187 11.427 -5.701 1.00 1.00 H new ATOM 0 HE2 LYS A 9 0.084 12.831 -4.067 1.00 1.00 H new ATOM 0 HE3 LYS A 9 1.141 11.647 -4.811 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 1.919 14.076 -4.714 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 2.114 13.247 -6.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 0.838 14.351 -5.994 1.00 1.00 H new ATOM 150 N GLU A 10 1.003 12.169 -11.589 1.00 1.00 N ATOM 151 CA GLU A 10 1.662 13.279 -12.307 1.00 1.00 C ATOM 152 C GLU A 10 0.633 14.355 -12.696 1.00 1.00 C ATOM 153 O GLU A 10 0.873 15.555 -12.555 1.00 1.00 O ATOM 154 CB GLU A 10 2.377 12.714 -13.564 1.00 1.00 C ATOM 155 CG GLU A 10 3.255 13.788 -14.269 1.00 1.00 C ATOM 156 CD GLU A 10 4.421 14.233 -13.378 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.848 13.442 -12.549 1.00 1.00 O ATOM 158 OE2 GLU A 10 4.875 15.352 -13.546 1.00 1.00 O ATOM 0 H GLU A 10 1.125 11.252 -12.019 1.00 1.00 H new ATOM 0 HA GLU A 10 2.400 13.748 -11.657 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.001 11.868 -13.276 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.633 12.337 -14.265 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.643 13.385 -15.204 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.641 14.651 -14.524 1.00 1.00 H new ATOM 165 N THR A 11 -0.516 13.899 -13.183 1.00 1.00 N ATOM 166 CA THR A 11 -1.619 14.801 -13.603 1.00 1.00 C ATOM 167 C THR A 11 -2.922 14.440 -12.846 1.00 1.00 C ATOM 168 O THR A 11 -3.744 13.708 -13.398 1.00 1.00 O ATOM 169 CB THR A 11 -1.837 14.640 -15.122 1.00 1.00 C ATOM 170 OG1 THR A 11 -2.232 13.303 -15.390 1.00 1.00 O ATOM 171 CG2 THR A 11 -0.536 14.945 -15.887 1.00 1.00 C ATOM 0 H THR A 11 -0.723 12.907 -13.303 1.00 1.00 H new ATOM 0 HA THR A 11 -1.357 15.833 -13.370 1.00 1.00 H new ATOM 0 HB THR A 11 -2.609 15.337 -15.448 1.00 1.00 H new ATOM 0 HG1 THR A 11 -3.089 13.121 -14.950 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.707 14.827 -16.957 1.00 1.00 H new ATOM 0 HG22 THR A 11 -0.224 15.969 -15.680 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.245 14.256 -15.566 1.00 1.00 H new ATOM 179 N PRO A 12 -3.126 14.935 -11.655 1.00 1.00 N ATOM 180 CA PRO A 12 -4.385 14.618 -10.875 1.00 1.00 C ATOM 181 C PRO A 12 -5.668 14.799 -11.715 1.00 1.00 C ATOM 182 O PRO A 12 -5.925 15.888 -12.230 1.00 1.00 O ATOM 183 CB PRO A 12 -4.324 15.622 -9.688 1.00 1.00 C ATOM 184 CG PRO A 12 -2.850 15.794 -9.451 1.00 1.00 C ATOM 185 CD PRO A 12 -2.235 15.841 -10.869 1.00 1.00 C ATOM 0 HA PRO A 12 -4.427 13.576 -10.558 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -4.804 16.568 -9.937 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.830 15.231 -8.805 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.641 16.709 -8.897 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -2.442 14.968 -8.868 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -2.231 16.853 -11.273 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -1.202 15.493 -10.872 1.00 1.00 H new ATOM 193 N PHE A 13 -6.454 13.735 -11.840 1.00 1.00 N ATOM 194 CA PHE A 13 -7.702 13.789 -12.617 1.00 1.00 C ATOM 195 C PHE A 13 -8.558 12.540 -12.356 1.00 1.00 C ATOM 196 O PHE A 13 -8.104 11.415 -12.568 1.00 1.00 O ATOM 197 CB PHE A 13 -7.373 13.878 -14.127 1.00 1.00 C ATOM 198 CG PHE A 13 -8.667 14.110 -14.928 1.00 1.00 C ATOM 199 CD1 PHE A 13 -9.193 15.409 -15.034 1.00 1.00 C ATOM 200 CD2 PHE A 13 -9.343 13.039 -15.544 1.00 1.00 C ATOM 201 CE1 PHE A 13 -10.376 15.637 -15.746 1.00 1.00 C ATOM 202 CE2 PHE A 13 -10.528 13.271 -16.256 1.00 1.00 C ATOM 203 CZ PHE A 13 -11.042 14.570 -16.358 1.00 1.00 C ATOM 0 H PHE A 13 -6.257 12.827 -11.419 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.263 14.671 -12.308 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.671 14.692 -14.309 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.889 12.959 -14.458 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.681 16.236 -14.563 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.948 12.037 -15.468 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.775 16.638 -15.823 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -11.045 12.448 -16.726 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.953 14.748 -16.910 1.00 1.00 H new ATOM 213 N GLU A 14 -9.790 12.750 -11.906 1.00 1.00 N ATOM 214 CA GLU A 14 -10.709 11.638 -11.635 1.00 1.00 C ATOM 215 C GLU A 14 -10.886 10.761 -12.892 1.00 1.00 C ATOM 216 O GLU A 14 -10.888 11.271 -14.012 1.00 1.00 O ATOM 217 CB GLU A 14 -12.074 12.211 -11.162 1.00 1.00 C ATOM 218 CG GLU A 14 -12.748 13.105 -12.260 1.00 1.00 C ATOM 219 CD GLU A 14 -13.439 12.259 -13.340 1.00 1.00 C ATOM 220 OE1 GLU A 14 -14.296 11.468 -12.982 1.00 1.00 O ATOM 221 OE2 GLU A 14 -13.100 12.416 -14.503 1.00 1.00 O ATOM 0 H GLU A 14 -10.179 13.674 -11.720 1.00 1.00 H new ATOM 0 HA GLU A 14 -10.294 11.007 -10.849 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -12.742 11.389 -10.903 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -11.926 12.799 -10.256 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -13.479 13.765 -11.793 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -11.994 13.741 -12.724 1.00 1.00 H new ATOM 228 N GLY A 15 -11.041 9.456 -12.691 1.00 1.00 N ATOM 229 CA GLY A 15 -11.213 8.505 -13.813 1.00 1.00 C ATOM 230 C GLY A 15 -9.860 8.021 -14.347 1.00 1.00 C ATOM 231 O GLY A 15 -9.765 6.917 -14.883 1.00 1.00 O ATOM 0 H GLY A 15 -11.053 9.022 -11.768 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.802 7.650 -13.481 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.773 8.985 -14.616 1.00 1.00 H new ATOM 235 N GLU A 16 -8.825 8.838 -14.183 1.00 1.00 N ATOM 236 CA GLU A 16 -7.477 8.470 -14.661 1.00 1.00 C ATOM 237 C GLU A 16 -6.921 7.331 -13.807 1.00 1.00 C ATOM 238 O GLU A 16 -7.098 7.311 -12.590 1.00 1.00 O ATOM 239 CB GLU A 16 -6.533 9.706 -14.604 1.00 1.00 C ATOM 240 CG GLU A 16 -5.169 9.424 -15.304 1.00 1.00 C ATOM 241 CD GLU A 16 -5.343 9.229 -16.817 1.00 1.00 C ATOM 242 OE1 GLU A 16 -6.300 9.759 -17.361 1.00 1.00 O ATOM 243 OE2 GLU A 16 -4.511 8.559 -17.407 1.00 1.00 O ATOM 0 H GLU A 16 -8.881 9.750 -13.730 1.00 1.00 H new ATOM 0 HA GLU A 16 -7.542 8.134 -15.696 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -7.018 10.557 -15.082 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.358 9.982 -13.564 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -4.486 10.253 -15.119 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -4.714 8.533 -14.871 1.00 1.00 H new ATOM 250 N GLU A 17 -6.243 6.388 -14.455 1.00 1.00 N ATOM 251 CA GLU A 17 -5.664 5.248 -13.747 1.00 1.00 C ATOM 252 C GLU A 17 -4.432 5.705 -12.960 1.00 1.00 C ATOM 253 O GLU A 17 -3.604 6.468 -13.459 1.00 1.00 O ATOM 254 CB GLU A 17 -5.297 4.132 -14.758 1.00 1.00 C ATOM 255 CG GLU A 17 -4.861 2.840 -14.023 1.00 1.00 C ATOM 256 CD GLU A 17 -4.509 1.728 -15.022 1.00 1.00 C ATOM 257 OE1 GLU A 17 -4.253 2.040 -16.176 1.00 1.00 O ATOM 258 OE2 GLU A 17 -4.481 0.580 -14.609 1.00 1.00 O ATOM 0 H GLU A 17 -6.081 6.389 -15.462 1.00 1.00 H new ATOM 0 HA GLU A 17 -6.392 4.844 -13.044 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -6.154 3.920 -15.398 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.492 4.475 -15.407 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.999 3.051 -13.390 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.663 2.503 -13.367 1.00 1.00 H new ATOM 265 N ILE A 18 -4.318 5.217 -11.729 1.00 1.00 N ATOM 266 CA ILE A 18 -3.181 5.560 -10.844 1.00 1.00 C ATOM 267 C ILE A 18 -2.603 4.294 -10.215 1.00 1.00 C ATOM 268 O ILE A 18 -3.320 3.332 -9.940 1.00 1.00 O ATOM 269 CB ILE A 18 -3.642 6.564 -9.738 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.836 5.978 -8.917 1.00 1.00 C ATOM 271 CG2 ILE A 18 -4.065 7.901 -10.400 1.00 1.00 C ATOM 272 CD1 ILE A 18 -5.153 6.879 -7.705 1.00 1.00 C ATOM 0 H ILE A 18 -4.995 4.580 -11.309 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.402 6.037 -11.439 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.810 6.738 -9.055 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.716 5.893 -9.554 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.591 4.972 -8.576 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.387 8.602 -9.630 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.219 8.322 -10.943 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.887 7.720 -11.092 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -5.987 6.456 -7.145 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.277 6.942 -7.059 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.419 7.877 -8.053 1.00 1.00 H new ATOM 284 N THR A 19 -1.295 4.314 -9.975 1.00 1.00 N ATOM 285 CA THR A 19 -0.596 3.171 -9.371 1.00 1.00 C ATOM 286 C THR A 19 -0.502 3.374 -7.860 1.00 1.00 C ATOM 287 O THR A 19 -0.265 4.486 -7.389 1.00 1.00 O ATOM 288 CB THR A 19 0.821 3.043 -9.998 1.00 1.00 C ATOM 289 OG1 THR A 19 0.686 2.987 -11.412 1.00 1.00 O ATOM 290 CG2 THR A 19 1.530 1.757 -9.519 1.00 1.00 C ATOM 0 H THR A 19 -0.692 5.108 -10.188 1.00 1.00 H new ATOM 0 HA THR A 19 -1.148 2.251 -9.565 1.00 1.00 H new ATOM 0 HB THR A 19 1.417 3.903 -9.692 1.00 1.00 H new ATOM 0 HG1 THR A 19 1.572 2.908 -11.822 1.00 1.00 H new ATOM 0 HG21 THR A 19 2.518 1.695 -9.974 1.00 1.00 H new ATOM 0 HG22 THR A 19 1.631 1.780 -8.434 1.00 1.00 H new ATOM 0 HG23 THR A 19 0.941 0.887 -9.810 1.00 1.00 H new ATOM 298 N VAL A 20 -0.666 2.289 -7.111 1.00 1.00 N ATOM 299 CA VAL A 20 -0.592 2.353 -5.624 1.00 1.00 C ATOM 300 C VAL A 20 0.502 1.406 -5.140 1.00 1.00 C ATOM 301 O VAL A 20 0.510 0.220 -5.467 1.00 1.00 O ATOM 302 CB VAL A 20 -1.965 1.965 -5.001 1.00 1.00 C ATOM 303 CG1 VAL A 20 -1.938 2.143 -3.456 1.00 1.00 C ATOM 304 CG2 VAL A 20 -3.068 2.874 -5.596 1.00 1.00 C ATOM 0 H VAL A 20 -0.849 1.358 -7.486 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.353 3.370 -5.312 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.170 0.919 -5.231 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.907 1.866 -3.041 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.165 1.504 -3.030 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.723 3.184 -3.213 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -4.032 2.607 -5.163 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -2.844 3.916 -5.367 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.106 2.740 -6.677 1.00 1.00 H new ATOM 314 N SER A 21 1.418 1.942 -4.339 1.00 1.00 N ATOM 315 CA SER A 21 2.544 1.154 -3.802 1.00 1.00 C ATOM 316 C SER A 21 2.755 1.486 -2.315 1.00 1.00 C ATOM 317 O SER A 21 2.865 2.648 -1.925 1.00 1.00 O ATOM 318 CB SER A 21 3.817 1.478 -4.637 1.00 1.00 C ATOM 319 OG SER A 21 4.524 2.567 -4.051 1.00 1.00 O ATOM 0 H SER A 21 1.411 2.918 -4.042 1.00 1.00 H new ATOM 0 HA SER A 21 2.330 0.088 -3.876 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.462 0.601 -4.686 1.00 1.00 H new ATOM 0 HB3 SER A 21 3.536 1.726 -5.661 1.00 1.00 H new ATOM 0 HG SER A 21 3.959 3.367 -4.061 1.00 1.00 H new ATOM 325 N ALA A 22 2.809 0.439 -1.497 1.00 1.00 N ATOM 326 CA ALA A 22 2.998 0.587 -0.031 1.00 1.00 C ATOM 327 C ALA A 22 4.328 -0.041 0.405 1.00 1.00 C ATOM 328 O ALA A 22 4.633 -1.177 0.042 1.00 1.00 O ATOM 329 CB ALA A 22 1.830 -0.112 0.690 1.00 1.00 C ATOM 0 H ALA A 22 2.726 -0.528 -1.811 1.00 1.00 H new ATOM 0 HA ALA A 22 3.018 1.646 0.227 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.955 -0.011 1.768 1.00 1.00 H new ATOM 0 HB2 ALA A 22 0.889 0.349 0.390 1.00 1.00 H new ATOM 0 HB3 ALA A 22 1.818 -1.169 0.423 1.00 1.00 H new ATOM 335 N ARG A 23 5.104 0.701 1.188 1.00 1.00 N ATOM 336 CA ARG A 23 6.408 0.208 1.674 1.00 1.00 C ATOM 337 C ARG A 23 6.214 -0.528 2.985 1.00 1.00 C ATOM 338 O ARG A 23 5.781 0.044 3.986 1.00 1.00 O ATOM 339 CB ARG A 23 7.390 1.383 1.872 1.00 1.00 C ATOM 340 CG ARG A 23 7.707 2.044 0.508 1.00 1.00 C ATOM 341 CD ARG A 23 8.669 3.227 0.699 1.00 1.00 C ATOM 342 NE ARG A 23 8.975 3.850 -0.595 1.00 1.00 N ATOM 343 CZ ARG A 23 9.768 4.927 -0.689 1.00 1.00 C ATOM 344 NH1 ARG A 23 10.290 5.454 0.384 1.00 1.00 N ATOM 345 NH2 ARG A 23 10.023 5.455 -1.856 1.00 1.00 N ATOM 0 H ARG A 23 4.864 1.641 1.503 1.00 1.00 H new ATOM 0 HA ARG A 23 6.827 -0.472 0.933 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.958 2.119 2.550 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.310 1.025 2.334 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.151 1.310 -0.165 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.785 2.388 0.040 1.00 1.00 H new ATOM 0 HD2 ARG A 23 8.223 3.963 1.368 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.589 2.883 1.171 1.00 1.00 H new ATOM 0 HE ARG A 23 8.574 3.453 -1.445 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.095 5.047 1.299 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.893 6.273 0.308 1.00 1.00 H new ATOM 0 HH21 ARG A 23 9.618 5.048 -2.699 1.00 1.00 H new ATOM 0 HH22 ARG A 23 10.627 6.274 -1.924 1.00 1.00 H new ATOM 359 N VAL A 24 6.552 -1.813 2.975 1.00 1.00 N ATOM 360 CA VAL A 24 6.417 -2.666 4.168 1.00 1.00 C ATOM 361 C VAL A 24 7.793 -2.905 4.792 1.00 1.00 C ATOM 362 O VAL A 24 8.756 -3.228 4.098 1.00 1.00 O ATOM 363 CB VAL A 24 5.758 -4.011 3.765 1.00 1.00 C ATOM 364 CG1 VAL A 24 5.499 -4.883 5.021 1.00 1.00 C ATOM 365 CG2 VAL A 24 4.417 -3.720 3.044 1.00 1.00 C ATOM 0 H VAL A 24 6.923 -2.295 2.156 1.00 1.00 H new ATOM 0 HA VAL A 24 5.786 -2.171 4.906 1.00 1.00 H new ATOM 0 HB VAL A 24 6.428 -4.554 3.098 1.00 1.00 H new ATOM 0 HG11 VAL A 24 5.036 -5.823 4.722 1.00 1.00 H new ATOM 0 HG12 VAL A 24 6.445 -5.087 5.523 1.00 1.00 H new ATOM 0 HG13 VAL A 24 4.834 -4.352 5.702 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.947 -4.660 2.757 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.755 -3.173 3.715 1.00 1.00 H new ATOM 0 HG23 VAL A 24 4.606 -3.122 2.153 1.00 1.00 H new ATOM 375 N THR A 25 7.873 -2.740 6.109 1.00 1.00 N ATOM 376 CA THR A 25 9.136 -2.930 6.847 1.00 1.00 C ATOM 377 C THR A 25 9.147 -4.307 7.531 1.00 1.00 C ATOM 378 O THR A 25 8.221 -4.660 8.262 1.00 1.00 O ATOM 379 CB THR A 25 9.287 -1.798 7.891 1.00 1.00 C ATOM 380 OG1 THR A 25 9.250 -0.547 7.214 1.00 1.00 O ATOM 381 CG2 THR A 25 10.629 -1.905 8.650 1.00 1.00 C ATOM 0 H THR A 25 7.082 -2.475 6.696 1.00 1.00 H new ATOM 0 HA THR A 25 9.977 -2.891 6.154 1.00 1.00 H new ATOM 0 HB THR A 25 8.473 -1.884 8.611 1.00 1.00 H new ATOM 0 HG1 THR A 25 9.343 0.180 7.865 1.00 1.00 H new ATOM 0 HG21 THR A 25 10.702 -1.095 9.375 1.00 1.00 H new ATOM 0 HG22 THR A 25 10.678 -2.862 9.169 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.454 -1.834 7.942 1.00 1.00 H new ATOM 389 N ASN A 26 10.211 -5.067 7.290 1.00 1.00 N ATOM 390 CA ASN A 26 10.354 -6.413 7.883 1.00 1.00 C ATOM 391 C ASN A 26 11.047 -6.305 9.241 1.00 1.00 C ATOM 392 O ASN A 26 12.171 -5.817 9.348 1.00 1.00 O ATOM 393 CB ASN A 26 11.158 -7.326 6.933 1.00 1.00 C ATOM 394 CG ASN A 26 11.265 -8.756 7.484 1.00 1.00 C ATOM 395 OD1 ASN A 26 10.268 -9.478 7.537 1.00 1.00 O ATOM 396 ND2 ASN A 26 12.421 -9.209 7.890 1.00 1.00 N ATOM 0 H ASN A 26 10.988 -4.785 6.693 1.00 1.00 H new ATOM 0 HA ASN A 26 9.367 -6.852 8.027 1.00 1.00 H new ATOM 0 HB2 ASN A 26 10.679 -7.347 5.954 1.00 1.00 H new ATOM 0 HB3 ASN A 26 12.157 -6.914 6.790 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.498 -10.160 8.251 1.00 1.00 H new ATOM 0 HD22 ASN A 26 13.247 -8.612 7.846 1.00 1.00 H new ATOM 444 N ALA A 30 16.190 -12.181 11.342 1.00 1.00 N ATOM 445 CA ALA A 30 16.683 -13.089 10.290 1.00 1.00 C ATOM 446 C ALA A 30 15.971 -12.810 8.969 1.00 1.00 C ATOM 447 O ALA A 30 14.913 -12.180 8.933 1.00 1.00 O ATOM 448 CB ALA A 30 16.445 -14.549 10.721 1.00 1.00 C ATOM 0 HA ALA A 30 17.751 -12.922 10.147 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.809 -15.222 9.944 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.979 -14.746 11.651 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.378 -14.714 10.873 1.00 1.00 H new ATOM 454 N GLU A 31 16.561 -13.297 7.883 1.00 1.00 N ATOM 455 CA GLU A 31 15.982 -13.096 6.545 1.00 1.00 C ATOM 456 C GLU A 31 14.574 -13.713 6.485 1.00 1.00 C ATOM 457 O GLU A 31 14.407 -14.919 6.666 1.00 1.00 O ATOM 458 CB GLU A 31 16.886 -13.736 5.458 1.00 1.00 C ATOM 459 CG GLU A 31 18.269 -13.030 5.395 1.00 1.00 C ATOM 460 CD GLU A 31 19.091 -13.313 6.656 1.00 1.00 C ATOM 461 OE1 GLU A 31 19.032 -14.432 7.137 1.00 1.00 O ATOM 462 OE2 GLU A 31 19.758 -12.404 7.124 1.00 1.00 O ATOM 0 H GLU A 31 17.431 -13.829 7.894 1.00 1.00 H new ATOM 0 HA GLU A 31 15.914 -12.025 6.354 1.00 1.00 H new ATOM 0 HB2 GLU A 31 17.024 -14.796 5.673 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.395 -13.669 4.487 1.00 1.00 H new ATOM 0 HG2 GLU A 31 18.816 -13.372 4.516 1.00 1.00 H new ATOM 0 HG3 GLU A 31 18.127 -11.955 5.283 1.00 1.00 H new ATOM 469 N ALA A 32 13.575 -12.875 6.229 1.00 1.00 N ATOM 470 CA ALA A 32 12.170 -13.312 6.145 1.00 1.00 C ATOM 471 C ALA A 32 11.785 -13.560 4.691 1.00 1.00 C ATOM 472 O ALA A 32 12.364 -12.978 3.774 1.00 1.00 O ATOM 473 CB ALA A 32 11.252 -12.224 6.740 1.00 1.00 C ATOM 0 H ALA A 32 13.707 -11.876 6.073 1.00 1.00 H new ATOM 0 HA ALA A 32 12.053 -14.237 6.709 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.214 -12.550 6.677 1.00 1.00 H new ATOM 0 HB2 ALA A 32 11.517 -12.056 7.784 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.376 -11.297 6.180 1.00 1.00 H new ATOM 479 N HIS A 33 10.790 -14.419 4.490 1.00 1.00 N ATOM 480 CA HIS A 33 10.306 -14.754 3.142 1.00 1.00 C ATOM 481 C HIS A 33 8.798 -14.982 3.169 1.00 1.00 C ATOM 482 O HIS A 33 8.159 -14.965 4.221 1.00 1.00 O ATOM 483 CB HIS A 33 11.028 -16.018 2.630 1.00 1.00 C ATOM 484 CG HIS A 33 12.520 -15.788 2.635 1.00 1.00 C ATOM 485 ND1 HIS A 33 13.312 -16.128 3.721 1.00 1.00 N ATOM 486 CD2 HIS A 33 13.374 -15.248 1.702 1.00 1.00 C ATOM 487 CE1 HIS A 33 14.581 -15.793 3.419 1.00 1.00 C ATOM 488 NE2 HIS A 33 14.674 -15.253 2.201 1.00 1.00 N ATOM 0 H HIS A 33 10.298 -14.901 5.242 1.00 1.00 H new ATOM 0 HA HIS A 33 10.521 -13.925 2.468 1.00 1.00 H new ATOM 0 HB2 HIS A 33 10.780 -16.871 3.261 1.00 1.00 H new ATOM 0 HB3 HIS A 33 10.691 -16.258 1.622 1.00 1.00 H new ATOM 0 HD2 HIS A 33 13.081 -14.877 0.731 1.00 1.00 H new ATOM 0 HE1 HIS A 33 15.421 -15.943 4.081 1.00 1.00 H new ATOM 0 HE2 HIS A 33 15.517 -14.916 1.736 1.00 1.00 H new ATOM 497 N ASN A 34 8.236 -15.192 1.983 1.00 1.00 N ATOM 498 CA ASN A 34 6.787 -15.419 1.862 1.00 1.00 C ATOM 499 C ASN A 34 5.992 -14.320 2.599 1.00 1.00 C ATOM 500 O ASN A 34 5.276 -14.574 3.568 1.00 1.00 O ATOM 501 CB ASN A 34 6.428 -16.816 2.402 1.00 1.00 C ATOM 502 CG ASN A 34 4.944 -17.120 2.189 1.00 1.00 C ATOM 503 OD1 ASN A 34 4.178 -17.190 3.150 1.00 1.00 O ATOM 504 ND2 ASN A 34 4.497 -17.305 0.977 1.00 1.00 N ATOM 0 H ASN A 34 8.746 -15.211 1.100 1.00 1.00 H new ATOM 0 HA ASN A 34 6.513 -15.372 0.808 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.033 -17.571 1.900 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.666 -16.872 3.464 1.00 1.00 H new ATOM 0 HD21 ASN A 34 3.509 -17.508 0.823 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.135 -17.246 0.184 1.00 1.00 H new ATOM 511 N VAL A 35 6.135 -13.094 2.106 1.00 1.00 N ATOM 512 CA VAL A 35 5.441 -11.919 2.701 1.00 1.00 C ATOM 513 C VAL A 35 4.454 -11.332 1.675 1.00 1.00 C ATOM 514 O VAL A 35 4.811 -10.376 0.987 1.00 1.00 O ATOM 515 CB VAL A 35 6.505 -10.858 3.113 1.00 1.00 C ATOM 516 CG1 VAL A 35 5.837 -9.660 3.841 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.542 -11.521 4.063 1.00 1.00 C ATOM 0 H VAL A 35 6.719 -12.872 1.300 1.00 1.00 H new ATOM 0 HA VAL A 35 4.880 -12.220 3.586 1.00 1.00 H new ATOM 0 HB VAL A 35 6.997 -10.488 2.214 1.00 1.00 H new ATOM 0 HG11 VAL A 35 6.599 -8.932 4.119 1.00 1.00 H new ATOM 0 HG12 VAL A 35 5.111 -9.190 3.177 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.331 -10.016 4.738 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.290 -10.784 4.356 1.00 1.00 H new ATOM 0 HG22 VAL A 35 7.034 -11.895 4.952 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.030 -12.349 3.548 1.00 1.00 H new ATOM 527 N PRO A 36 3.259 -11.850 1.576 1.00 1.00 N ATOM 528 CA PRO A 36 2.265 -11.297 0.598 1.00 1.00 C ATOM 529 C PRO A 36 1.561 -10.054 1.152 1.00 1.00 C ATOM 530 O PRO A 36 0.899 -10.098 2.190 1.00 1.00 O ATOM 531 CB PRO A 36 1.298 -12.478 0.365 1.00 1.00 C ATOM 532 CG PRO A 36 1.257 -13.188 1.695 1.00 1.00 C ATOM 533 CD PRO A 36 2.673 -13.011 2.322 1.00 1.00 C ATOM 0 HA PRO A 36 2.720 -10.950 -0.330 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.309 -12.130 0.068 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.656 -13.136 -0.427 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.489 -12.762 2.341 1.00 1.00 H new ATOM 0 HG3 PRO A 36 1.017 -14.243 1.566 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.613 -12.809 3.391 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.278 -13.909 2.201 1.00 1.00 H new ATOM 541 N VAL A 37 1.713 -8.943 0.438 1.00 1.00 N ATOM 542 CA VAL A 37 1.099 -7.671 0.837 1.00 1.00 C ATOM 543 C VAL A 37 -0.310 -7.584 0.272 1.00 1.00 C ATOM 544 O VAL A 37 -0.565 -7.986 -0.863 1.00 1.00 O ATOM 545 CB VAL A 37 1.952 -6.475 0.322 1.00 1.00 C ATOM 546 CG1 VAL A 37 1.440 -5.141 0.929 1.00 1.00 C ATOM 547 CG2 VAL A 37 3.428 -6.696 0.724 1.00 1.00 C ATOM 0 H VAL A 37 2.257 -8.893 -0.423 1.00 1.00 H new ATOM 0 HA VAL A 37 1.055 -7.625 1.925 1.00 1.00 H new ATOM 0 HB VAL A 37 1.867 -6.418 -0.763 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.048 -4.316 0.558 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.401 -4.985 0.640 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.512 -5.185 2.016 1.00 1.00 H new ATOM 0 HG21 VAL A 37 4.031 -5.862 0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.504 -6.760 1.810 1.00 1.00 H new ATOM 0 HG23 VAL A 37 3.791 -7.623 0.280 1.00 1.00 H new ATOM 557 N ALA A 38 -1.223 -7.034 1.067 1.00 1.00 N ATOM 558 CA ALA A 38 -2.624 -6.872 0.651 1.00 1.00 C ATOM 559 C ALA A 38 -3.060 -5.432 0.892 1.00 1.00 C ATOM 560 O ALA A 38 -3.140 -4.980 2.034 1.00 1.00 O ATOM 561 CB ALA A 38 -3.508 -7.827 1.474 1.00 1.00 C ATOM 0 H ALA A 38 -1.023 -6.690 2.006 1.00 1.00 H new ATOM 0 HA ALA A 38 -2.725 -7.105 -0.409 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.549 -7.712 1.171 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.191 -8.856 1.301 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.411 -7.590 2.534 1.00 1.00 H new ATOM 567 N VAL A 39 -3.373 -4.724 -0.189 1.00 1.00 N ATOM 568 CA VAL A 39 -3.820 -3.323 -0.130 1.00 1.00 C ATOM 569 C VAL A 39 -5.314 -3.255 -0.468 1.00 1.00 C ATOM 570 O VAL A 39 -5.819 -3.995 -1.312 1.00 1.00 O ATOM 571 CB VAL A 39 -2.998 -2.462 -1.138 1.00 1.00 C ATOM 572 CG1 VAL A 39 -3.312 -0.955 -0.951 1.00 1.00 C ATOM 573 CG2 VAL A 39 -1.484 -2.699 -0.912 1.00 1.00 C ATOM 0 H VAL A 39 -3.326 -5.100 -1.136 1.00 1.00 H new ATOM 0 HA VAL A 39 -3.661 -2.929 0.874 1.00 1.00 H new ATOM 0 HB VAL A 39 -3.273 -2.758 -2.150 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -2.729 -0.371 -1.663 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -4.374 -0.781 -1.122 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -3.054 -0.653 0.064 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -0.912 -2.096 -1.618 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.219 -2.414 0.106 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.254 -3.753 -1.066 1.00 1.00 H new ATOM 583 N TYR A 40 -6.009 -2.342 0.204 1.00 1.00 N ATOM 584 CA TYR A 40 -7.453 -2.167 -0.020 1.00 1.00 C ATOM 585 C TYR A 40 -7.857 -0.724 0.289 1.00 1.00 C ATOM 586 O TYR A 40 -7.339 -0.104 1.218 1.00 1.00 O ATOM 587 CB TYR A 40 -8.233 -3.170 0.863 1.00 1.00 C ATOM 588 CG TYR A 40 -7.791 -3.010 2.321 1.00 1.00 C ATOM 589 CD1 TYR A 40 -8.418 -2.060 3.150 1.00 1.00 C ATOM 590 CD2 TYR A 40 -6.742 -3.800 2.844 1.00 1.00 C ATOM 591 CE1 TYR A 40 -8.004 -1.903 4.478 1.00 1.00 C ATOM 592 CE2 TYR A 40 -6.338 -3.639 4.174 1.00 1.00 C ATOM 593 CZ TYR A 40 -6.967 -2.690 4.989 1.00 1.00 C ATOM 594 OH TYR A 40 -6.557 -2.523 6.294 1.00 1.00 O ATOM 0 H TYR A 40 -5.608 -1.715 0.902 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.694 -2.366 -1.064 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.305 -2.993 0.774 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.049 -4.190 0.525 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -9.220 -1.451 2.760 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -6.252 -4.529 2.216 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.487 -1.172 5.110 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.540 -4.248 4.572 1.00 1.00 H new ATOM 0 HH TYR A 40 -6.822 -3.304 6.823 1.00 1.00 H new ATOM 604 N LEU A 41 -8.791 -0.201 -0.498 1.00 1.00 N ATOM 605 CA LEU A 41 -9.272 1.188 -0.319 1.00 1.00 C ATOM 606 C LEU A 41 -10.544 1.202 0.529 1.00 1.00 C ATOM 607 O LEU A 41 -11.503 0.482 0.249 1.00 1.00 O ATOM 608 CB LEU A 41 -9.524 1.851 -1.700 1.00 1.00 C ATOM 609 CG LEU A 41 -9.934 3.388 -1.550 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.157 4.272 -2.556 1.00 1.00 C ATOM 611 CD2 LEU A 41 -11.458 3.569 -1.784 1.00 1.00 C ATOM 0 H LEU A 41 -9.236 -0.705 -1.265 1.00 1.00 H new ATOM 0 HA LEU A 41 -8.506 1.762 0.202 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -8.625 1.772 -2.311 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -10.314 1.313 -2.224 1.00 1.00 H new ATOM 0 HG LEU A 41 -9.681 3.699 -0.536 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.456 5.313 -2.432 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -8.087 4.177 -2.373 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -9.381 3.949 -3.573 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -11.720 4.622 -1.678 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.715 3.230 -2.788 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -12.011 2.982 -1.051 1.00 1.00 H new ATOM 623 N GLY A 42 -10.538 2.024 1.572 1.00 1.00 N ATOM 624 CA GLY A 42 -11.683 2.154 2.497 1.00 1.00 C ATOM 625 C GLY A 42 -11.257 1.848 3.935 1.00 1.00 C ATOM 626 O GLY A 42 -10.082 1.934 4.295 1.00 1.00 O ATOM 0 H GLY A 42 -9.747 2.622 1.809 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.089 3.164 2.440 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.479 1.473 2.196 1.00 1.00 H new ATOM 630 N ASN A 43 -12.242 1.497 4.755 1.00 1.00 N ATOM 631 CA ASN A 43 -11.988 1.191 6.188 1.00 1.00 C ATOM 632 C ASN A 43 -12.005 -0.345 6.455 1.00 1.00 C ATOM 633 O ASN A 43 -12.815 -1.038 5.838 1.00 1.00 O ATOM 634 CB ASN A 43 -13.086 1.890 7.013 1.00 1.00 C ATOM 635 CG ASN A 43 -13.012 3.411 6.818 1.00 1.00 C ATOM 636 OD1 ASN A 43 -12.750 4.144 7.770 1.00 1.00 O ATOM 637 ND2 ASN A 43 -13.221 3.930 5.636 1.00 1.00 N ATOM 0 H ASN A 43 -13.218 1.413 4.472 1.00 1.00 H new ATOM 0 HA ASN A 43 -10.999 1.551 6.472 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.067 1.525 6.709 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -12.968 1.646 8.069 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -13.166 4.940 5.506 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -13.438 3.325 4.844 1.00 1.00 H new ATOM 644 N PRO A 44 -11.186 -0.852 7.336 1.00 1.00 N ATOM 645 CA PRO A 44 -11.182 -2.340 7.626 1.00 1.00 C ATOM 646 C PRO A 44 -12.439 -2.775 8.402 1.00 1.00 C ATOM 647 O PRO A 44 -12.894 -3.911 8.276 1.00 1.00 O ATOM 648 CB PRO A 44 -9.875 -2.542 8.444 1.00 1.00 C ATOM 649 CG PRO A 44 -9.730 -1.249 9.192 1.00 1.00 C ATOM 650 CD PRO A 44 -10.157 -0.160 8.181 1.00 1.00 C ATOM 0 HA PRO A 44 -11.205 -2.952 6.724 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -9.953 -3.392 9.122 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -9.019 -2.729 7.795 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -10.361 -1.233 10.081 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -8.704 -1.098 9.527 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -10.572 0.714 8.683 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -9.314 0.186 7.584 1.00 1.00 H new ATOM 658 N ALA A 45 -12.981 -1.864 9.204 1.00 1.00 N ATOM 659 CA ALA A 45 -14.184 -2.158 9.998 1.00 1.00 C ATOM 660 C ALA A 45 -15.397 -2.399 9.087 1.00 1.00 C ATOM 661 O ALA A 45 -16.181 -3.323 9.308 1.00 1.00 O ATOM 662 CB ALA A 45 -14.471 -0.974 10.942 1.00 1.00 C ATOM 0 H ALA A 45 -12.614 -0.920 9.326 1.00 1.00 H new ATOM 0 HA ALA A 45 -14.007 -3.063 10.579 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -15.362 -1.187 11.533 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -13.621 -0.825 11.608 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -14.633 -0.071 10.354 1.00 1.00 H new ATOM 668 N GLN A 46 -15.539 -1.558 8.067 1.00 1.00 N ATOM 669 CA GLN A 46 -16.671 -1.682 7.130 1.00 1.00 C ATOM 670 C GLN A 46 -16.538 -2.971 6.307 1.00 1.00 C ATOM 671 O GLN A 46 -17.301 -3.921 6.481 1.00 1.00 O ATOM 672 CB GLN A 46 -16.710 -0.439 6.200 1.00 1.00 C ATOM 673 CG GLN A 46 -17.991 -0.413 5.315 1.00 1.00 C ATOM 674 CD GLN A 46 -19.256 -0.231 6.163 1.00 1.00 C ATOM 675 OE1 GLN A 46 -19.964 -1.201 6.438 1.00 1.00 O ATOM 676 NE2 GLN A 46 -19.587 0.960 6.587 1.00 1.00 N ATOM 0 H GLN A 46 -14.899 -0.791 7.862 1.00 1.00 H new ATOM 0 HA GLN A 46 -17.604 -1.732 7.692 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -16.668 0.467 6.804 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -15.827 -0.437 5.560 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -17.918 0.398 4.590 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -18.062 -1.341 4.748 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -19.001 1.763 6.360 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -20.431 1.086 7.145 1.00 1.00 H new ATOM 685 N GLY A 47 -15.560 -2.982 5.406 1.00 1.00 N ATOM 686 CA GLY A 47 -15.324 -4.156 4.553 1.00 1.00 C ATOM 687 C GLY A 47 -14.305 -3.843 3.465 1.00 1.00 C ATOM 688 O GLY A 47 -14.669 -3.476 2.347 1.00 1.00 O ATOM 0 H GLY A 47 -14.921 -2.203 5.244 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -14.968 -4.987 5.162 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -16.262 -4.474 4.098 1.00 1.00 H new ATOM 692 N GLY A 48 -13.027 -3.990 3.798 1.00 1.00 N ATOM 693 CA GLY A 48 -11.950 -3.725 2.839 1.00 1.00 C ATOM 694 C GLY A 48 -12.035 -4.675 1.643 1.00 1.00 C ATOM 695 O GLY A 48 -12.352 -5.854 1.803 1.00 1.00 O ATOM 0 H GLY A 48 -12.708 -4.290 4.719 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -12.012 -2.693 2.493 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -10.984 -3.839 3.331 1.00 1.00 H new ATOM 699 N VAL A 49 -11.746 -4.158 0.453 1.00 1.00 N ATOM 700 CA VAL A 49 -11.792 -4.964 -0.793 1.00 1.00 C ATOM 701 C VAL A 49 -10.370 -5.115 -1.371 1.00 1.00 C ATOM 702 O VAL A 49 -9.686 -4.129 -1.643 1.00 1.00 O ATOM 703 CB VAL A 49 -12.726 -4.269 -1.829 1.00 1.00 C ATOM 704 CG1 VAL A 49 -12.902 -5.155 -3.090 1.00 1.00 C ATOM 705 CG2 VAL A 49 -14.113 -4.018 -1.184 1.00 1.00 C ATOM 0 H VAL A 49 -11.476 -3.185 0.310 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.186 -5.956 -0.570 1.00 1.00 H new ATOM 0 HB VAL A 49 -12.274 -3.323 -2.125 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.558 -4.651 -3.800 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -11.930 -5.327 -3.552 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -13.342 -6.110 -2.805 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -14.768 -3.532 -1.907 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -14.550 -4.969 -0.880 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -13.997 -3.376 -0.310 1.00 1.00 H new ATOM 715 N GLU A 50 -9.953 -6.362 -1.563 1.00 1.00 N ATOM 716 CA GLU A 50 -8.615 -6.638 -2.109 1.00 1.00 C ATOM 717 C GLU A 50 -8.545 -6.163 -3.574 1.00 1.00 C ATOM 718 O GLU A 50 -9.353 -6.569 -4.409 1.00 1.00 O ATOM 719 CB GLU A 50 -8.308 -8.156 -2.004 1.00 1.00 C ATOM 720 CG GLU A 50 -6.849 -8.462 -2.423 1.00 1.00 C ATOM 721 CD GLU A 50 -6.552 -9.959 -2.298 1.00 1.00 C ATOM 722 OE1 GLU A 50 -6.937 -10.695 -3.194 1.00 1.00 O ATOM 723 OE2 GLU A 50 -5.942 -10.347 -1.314 1.00 1.00 O ATOM 0 H GLU A 50 -10.508 -7.192 -1.354 1.00 1.00 H new ATOM 0 HA GLU A 50 -7.865 -6.095 -1.533 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -8.474 -8.493 -0.981 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -8.996 -8.714 -2.639 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -6.685 -8.138 -3.451 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -6.159 -7.896 -1.797 1.00 1.00 H new ATOM 730 N ILE A 51 -7.564 -5.316 -3.869 1.00 1.00 N ATOM 731 CA ILE A 51 -7.385 -4.776 -5.243 1.00 1.00 C ATOM 732 C ILE A 51 -6.345 -5.607 -5.985 1.00 1.00 C ATOM 733 O ILE A 51 -6.509 -5.928 -7.162 1.00 1.00 O ATOM 734 CB ILE A 51 -6.949 -3.274 -5.188 1.00 1.00 C ATOM 735 CG1 ILE A 51 -7.993 -2.461 -4.354 1.00 1.00 C ATOM 736 CG2 ILE A 51 -6.875 -2.686 -6.629 1.00 1.00 C ATOM 737 CD1 ILE A 51 -7.503 -1.019 -4.104 1.00 1.00 C ATOM 0 H ILE A 51 -6.878 -4.982 -3.192 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.334 -4.834 -5.776 1.00 1.00 H new ATOM 0 HB ILE A 51 -5.966 -3.206 -4.721 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -8.946 -2.438 -4.882 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.169 -2.959 -3.401 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -6.571 -1.640 -6.580 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.148 -3.248 -7.215 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -7.855 -2.757 -7.102 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.249 -0.477 -3.522 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.562 -1.045 -3.554 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -7.352 -0.515 -5.059 1.00 1.00 H new ATOM 749 N GLY A 52 -5.265 -5.942 -5.286 1.00 1.00 N ATOM 750 CA GLY A 52 -4.192 -6.739 -5.879 1.00 1.00 C ATOM 751 C GLY A 52 -3.123 -7.050 -4.850 1.00 1.00 C ATOM 752 O GLY A 52 -3.056 -6.425 -3.791 1.00 1.00 O ATOM 0 H GLY A 52 -5.108 -5.677 -4.314 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.600 -7.667 -6.278 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -3.751 -6.198 -6.717 1.00 1.00 H new ATOM 756 N ARG A 53 -2.288 -8.035 -5.163 1.00 1.00 N ATOM 757 CA ARG A 53 -1.211 -8.459 -4.257 1.00 1.00 C ATOM 758 C ARG A 53 -0.026 -9.010 -5.053 1.00 1.00 C ATOM 759 O ARG A 53 -0.140 -9.334 -6.236 1.00 1.00 O ATOM 760 CB ARG A 53 -1.763 -9.523 -3.275 1.00 1.00 C ATOM 761 CG ARG A 53 -2.417 -10.690 -4.056 1.00 1.00 C ATOM 762 CD ARG A 53 -2.955 -11.765 -3.084 1.00 1.00 C ATOM 763 NE ARG A 53 -1.844 -12.420 -2.388 1.00 1.00 N ATOM 764 CZ ARG A 53 -2.038 -13.421 -1.517 1.00 1.00 C ATOM 765 NH1 ARG A 53 -3.245 -13.829 -1.221 1.00 1.00 N ATOM 766 NH2 ARG A 53 -1.011 -13.995 -0.955 1.00 1.00 N ATOM 0 H ARG A 53 -2.331 -8.559 -6.037 1.00 1.00 H new ATOM 0 HA ARG A 53 -0.855 -7.600 -3.688 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -0.956 -9.903 -2.649 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.495 -9.067 -2.609 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -3.232 -10.310 -4.673 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.687 -11.136 -4.732 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -3.628 -11.306 -2.359 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -3.536 -12.505 -3.634 1.00 1.00 H new ATOM 0 HE ARG A 53 -0.892 -12.104 -2.572 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -4.054 -13.385 -1.655 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -3.377 -14.592 -0.557 1.00 1.00 H new ATOM 0 HH21 ARG A 53 -0.066 -13.682 -1.179 1.00 1.00 H new ATOM 0 HH22 ARG A 53 -1.152 -14.757 -0.292 1.00 1.00 H new ATOM 780 N ASP A 54 1.115 -9.112 -4.382 1.00 1.00 N ATOM 781 CA ASP A 54 2.339 -9.627 -5.017 1.00 1.00 C ATOM 782 C ASP A 54 3.387 -9.962 -3.949 1.00 1.00 C ATOM 783 O ASP A 54 3.864 -9.072 -3.244 1.00 1.00 O ATOM 784 CB ASP A 54 2.902 -8.572 -6.001 1.00 1.00 C ATOM 785 CG ASP A 54 4.080 -9.138 -6.810 1.00 1.00 C ATOM 786 OD1 ASP A 54 3.849 -10.035 -7.606 1.00 1.00 O ATOM 787 OD2 ASP A 54 5.189 -8.659 -6.630 1.00 1.00 O ATOM 0 H ASP A 54 1.226 -8.848 -3.403 1.00 1.00 H new ATOM 0 HA ASP A 54 2.098 -10.536 -5.568 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.114 -8.247 -6.680 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.228 -7.692 -5.447 1.00 1.00 H new ATOM 792 N THR A 55 3.753 -11.236 -3.854 1.00 1.00 N ATOM 793 CA THR A 55 4.754 -11.669 -2.872 1.00 1.00 C ATOM 794 C THR A 55 6.138 -11.252 -3.348 1.00 1.00 C ATOM 795 O THR A 55 6.462 -11.363 -4.531 1.00 1.00 O ATOM 796 CB THR A 55 4.678 -13.206 -2.675 1.00 1.00 C ATOM 797 OG1 THR A 55 3.333 -13.557 -2.380 1.00 1.00 O ATOM 798 CG2 THR A 55 5.579 -13.667 -1.507 1.00 1.00 C ATOM 0 H THR A 55 3.378 -11.985 -4.437 1.00 1.00 H new ATOM 0 HA THR A 55 4.554 -11.195 -1.911 1.00 1.00 H new ATOM 0 HB THR A 55 5.021 -13.692 -3.588 1.00 1.00 H new ATOM 0 HG1 THR A 55 3.268 -14.527 -2.254 1.00 1.00 H new ATOM 0 HG21 THR A 55 5.504 -14.749 -1.394 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.614 -13.395 -1.716 1.00 1.00 H new ATOM 0 HG23 THR A 55 5.256 -13.183 -0.585 1.00 1.00 H new ATOM 806 N ILE A 56 6.958 -10.781 -2.414 1.00 1.00 N ATOM 807 CA ILE A 56 8.310 -10.333 -2.746 1.00 1.00 C ATOM 808 C ILE A 56 9.231 -11.547 -2.909 1.00 1.00 C ATOM 809 O ILE A 56 9.034 -12.567 -2.247 1.00 1.00 O ATOM 810 CB ILE A 56 8.851 -9.389 -1.632 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.786 -8.305 -1.248 1.00 1.00 C ATOM 812 CG2 ILE A 56 10.162 -8.710 -2.112 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.324 -7.457 -2.450 1.00 1.00 C ATOM 0 H ILE A 56 6.714 -10.699 -1.427 1.00 1.00 H new ATOM 0 HA ILE A 56 8.283 -9.780 -3.685 1.00 1.00 H new ATOM 0 HB ILE A 56 9.059 -9.985 -0.743 1.00 1.00 H new ATOM 0 HG12 ILE A 56 6.920 -8.796 -0.804 1.00 1.00 H new ATOM 0 HG13 ILE A 56 8.205 -7.647 -0.487 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.538 -8.050 -1.330 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.908 -9.474 -2.332 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.962 -8.129 -3.012 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.587 -6.726 -2.118 1.00 1.00 H new ATOM 0 HD12 ILE A 56 8.181 -6.939 -2.881 1.00 1.00 H new ATOM 0 HD13 ILE A 56 6.877 -8.106 -3.203 1.00 1.00 H new ATOM 825 N SER A 57 10.230 -11.430 -3.777 1.00 1.00 N ATOM 826 CA SER A 57 11.175 -12.534 -4.007 1.00 1.00 C ATOM 827 C SER A 57 11.965 -12.832 -2.736 1.00 1.00 C ATOM 828 O SER A 57 12.100 -13.983 -2.322 1.00 1.00 O ATOM 829 CB SER A 57 12.151 -12.166 -5.141 1.00 1.00 C ATOM 830 OG SER A 57 11.414 -11.930 -6.332 1.00 1.00 O ATOM 0 H SER A 57 10.412 -10.593 -4.332 1.00 1.00 H new ATOM 0 HA SER A 57 10.607 -13.420 -4.290 1.00 1.00 H new ATOM 0 HB2 SER A 57 12.723 -11.278 -4.871 1.00 1.00 H new ATOM 0 HB3 SER A 57 12.868 -12.972 -5.296 1.00 1.00 H new ATOM 0 HG SER A 57 12.030 -11.694 -7.057 1.00 1.00 H new ATOM 836 N ARG A 58 12.489 -11.776 -2.123 1.00 1.00 N ATOM 837 CA ARG A 58 13.282 -11.909 -0.900 1.00 1.00 C ATOM 838 C ARG A 58 13.516 -10.522 -0.256 1.00 1.00 C ATOM 839 O ARG A 58 13.838 -9.548 -0.936 1.00 1.00 O ATOM 840 CB ARG A 58 14.624 -12.613 -1.239 1.00 1.00 C ATOM 841 CG ARG A 58 15.388 -11.830 -2.334 1.00 1.00 C ATOM 842 CD ARG A 58 16.704 -12.543 -2.694 1.00 1.00 C ATOM 843 NE ARG A 58 17.594 -12.550 -1.533 1.00 1.00 N ATOM 844 CZ ARG A 58 18.803 -13.121 -1.563 1.00 1.00 C ATOM 845 NH1 ARG A 58 19.244 -13.697 -2.653 1.00 1.00 N ATOM 846 NH2 ARG A 58 19.549 -13.097 -0.495 1.00 1.00 N ATOM 0 H ARG A 58 12.380 -10.816 -2.451 1.00 1.00 H new ATOM 0 HA ARG A 58 12.743 -12.517 -0.174 1.00 1.00 H new ATOM 0 HB2 ARG A 58 15.239 -12.688 -0.342 1.00 1.00 H new ATOM 0 HB3 ARG A 58 14.431 -13.631 -1.579 1.00 1.00 H new ATOM 0 HG2 ARG A 58 14.764 -11.736 -3.223 1.00 1.00 H new ATOM 0 HG3 ARG A 58 15.600 -10.819 -1.985 1.00 1.00 H new ATOM 0 HD2 ARG A 58 16.500 -13.565 -3.014 1.00 1.00 H new ATOM 0 HD3 ARG A 58 17.186 -12.037 -3.531 1.00 1.00 H new ATOM 0 HE ARG A 58 17.282 -12.104 -0.671 1.00 1.00 H new ATOM 0 HH11 ARG A 58 18.664 -13.714 -3.492 1.00 1.00 H new ATOM 0 HH12 ARG A 58 20.168 -14.129 -2.663 1.00 1.00 H new ATOM 0 HH21 ARG A 58 19.209 -12.645 0.354 1.00 1.00 H new ATOM 0 HH22 ARG A 58 20.473 -13.530 -0.508 1.00 1.00 H new ATOM 860 N ILE A 59 13.360 -10.463 1.063 1.00 1.00 N ATOM 861 CA ILE A 59 13.547 -9.181 1.817 1.00 1.00 C ATOM 862 C ILE A 59 14.750 -9.295 2.808 1.00 1.00 C ATOM 863 O ILE A 59 14.680 -10.140 3.701 1.00 1.00 O ATOM 864 CB ILE A 59 12.237 -8.825 2.599 1.00 1.00 C ATOM 865 CG1 ILE A 59 11.029 -8.797 1.607 1.00 1.00 C ATOM 866 CG2 ILE A 59 12.384 -7.426 3.281 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.696 -8.579 2.353 1.00 1.00 C ATOM 0 H ILE A 59 13.109 -11.263 1.644 1.00 1.00 H new ATOM 0 HA ILE A 59 13.764 -8.387 1.103 1.00 1.00 H new ATOM 0 HB ILE A 59 12.064 -9.579 3.366 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.174 -8.001 0.877 1.00 1.00 H new ATOM 0 HG13 ILE A 59 10.989 -9.735 1.053 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.469 -7.187 3.822 1.00 1.00 H new ATOM 0 HG22 ILE A 59 13.222 -7.447 3.977 1.00 1.00 H new ATOM 0 HG23 ILE A 59 12.564 -6.667 2.520 1.00 1.00 H new ATOM 0 HD11 ILE A 59 8.876 -8.564 1.635 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.541 -9.389 3.065 1.00 1.00 H new ATOM 0 HD13 ILE A 59 9.729 -7.629 2.886 1.00 1.00 H new ATOM 879 N PRO A 60 15.776 -8.499 2.683 1.00 1.00 N ATOM 880 CA PRO A 60 16.948 -8.601 3.643 1.00 1.00 C ATOM 881 C PRO A 60 16.624 -7.983 5.017 1.00 1.00 C ATOM 882 O PRO A 60 15.644 -7.255 5.167 1.00 1.00 O ATOM 883 CB PRO A 60 18.082 -7.856 2.891 1.00 1.00 C ATOM 884 CG PRO A 60 17.356 -6.765 2.162 1.00 1.00 C ATOM 885 CD PRO A 60 16.031 -7.412 1.677 1.00 1.00 C ATOM 0 HA PRO A 60 17.220 -9.628 3.887 1.00 1.00 H new ATOM 0 HB2 PRO A 60 18.825 -7.454 3.580 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.610 -8.517 2.203 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.163 -5.915 2.816 1.00 1.00 H new ATOM 0 HG3 PRO A 60 17.944 -6.394 1.322 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.217 -6.688 1.655 1.00 1.00 H new ATOM 0 HD3 PRO A 60 16.127 -7.814 0.669 1.00 1.00 H new ATOM 893 N VAL A 61 17.463 -8.283 6.005 1.00 1.00 N ATOM 894 CA VAL A 61 17.265 -7.773 7.376 1.00 1.00 C ATOM 895 C VAL A 61 17.499 -6.262 7.411 1.00 1.00 C ATOM 896 O VAL A 61 18.412 -5.754 6.760 1.00 1.00 O ATOM 897 CB VAL A 61 18.224 -8.501 8.361 1.00 1.00 C ATOM 898 CG1 VAL A 61 17.950 -8.059 9.825 1.00 1.00 C ATOM 899 CG2 VAL A 61 18.015 -10.030 8.242 1.00 1.00 C ATOM 0 H VAL A 61 18.287 -8.874 5.891 1.00 1.00 H new ATOM 0 HA VAL A 61 16.239 -7.971 7.686 1.00 1.00 H new ATOM 0 HB VAL A 61 19.251 -8.241 8.104 1.00 1.00 H new ATOM 0 HG11 VAL A 61 18.632 -8.581 10.496 1.00 1.00 H new ATOM 0 HG12 VAL A 61 18.104 -6.984 9.915 1.00 1.00 H new ATOM 0 HG13 VAL A 61 16.922 -8.302 10.092 1.00 1.00 H new ATOM 0 HG21 VAL A 61 18.686 -10.544 8.931 1.00 1.00 H new ATOM 0 HG22 VAL A 61 16.982 -10.276 8.489 1.00 1.00 H new ATOM 0 HG23 VAL A 61 18.230 -10.348 7.222 1.00 1.00 H new ATOM 909 N GLY A 62 16.666 -5.551 8.166 1.00 1.00 N ATOM 910 CA GLY A 62 16.790 -4.097 8.275 1.00 1.00 C ATOM 911 C GLY A 62 16.432 -3.431 6.956 1.00 1.00 C ATOM 912 O GLY A 62 16.790 -2.279 6.712 1.00 1.00 O ATOM 0 H GLY A 62 15.902 -5.953 8.709 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.135 -3.729 9.065 1.00 1.00 H new ATOM 0 HA3 GLY A 62 17.809 -3.833 8.557 1.00 1.00 H new ATOM 916 N GLY A 63 15.707 -4.158 6.112 1.00 1.00 N ATOM 917 CA GLY A 63 15.272 -3.670 4.787 1.00 1.00 C ATOM 918 C GLY A 63 13.761 -3.499 4.745 1.00 1.00 C ATOM 919 O GLY A 63 13.085 -3.597 5.770 1.00 1.00 O ATOM 0 H GLY A 63 15.398 -5.108 6.319 1.00 1.00 H new ATOM 0 HA2 GLY A 63 15.757 -2.719 4.568 1.00 1.00 H new ATOM 0 HA3 GLY A 63 15.585 -4.373 4.015 1.00 1.00 H new ATOM 923 N THR A 64 13.232 -3.240 3.553 1.00 1.00 N ATOM 924 CA THR A 64 11.775 -3.056 3.365 1.00 1.00 C ATOM 925 C THR A 64 11.321 -3.644 2.027 1.00 1.00 C ATOM 926 O THR A 64 12.076 -3.657 1.056 1.00 1.00 O ATOM 927 CB THR A 64 11.430 -1.549 3.390 1.00 1.00 C ATOM 928 OG1 THR A 64 11.931 -0.943 2.205 1.00 1.00 O ATOM 929 CG2 THR A 64 12.076 -0.861 4.613 1.00 1.00 C ATOM 0 H THR A 64 13.779 -3.151 2.697 1.00 1.00 H new ATOM 0 HA THR A 64 11.260 -3.573 4.175 1.00 1.00 H new ATOM 0 HB THR A 64 10.348 -1.437 3.453 1.00 1.00 H new ATOM 0 HG1 THR A 64 11.716 0.013 2.210 1.00 1.00 H new ATOM 0 HG21 THR A 64 11.821 0.199 4.611 1.00 1.00 H new ATOM 0 HG22 THR A 64 11.705 -1.322 5.528 1.00 1.00 H new ATOM 0 HG23 THR A 64 13.159 -0.973 4.564 1.00 1.00 H new ATOM 937 N GLY A 65 10.076 -4.110 1.983 1.00 1.00 N ATOM 938 CA GLY A 65 9.484 -4.694 0.772 1.00 1.00 C ATOM 939 C GLY A 65 8.540 -3.701 0.110 1.00 1.00 C ATOM 940 O GLY A 65 8.026 -2.785 0.752 1.00 1.00 O ATOM 0 H GLY A 65 9.444 -4.096 2.784 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.272 -4.976 0.074 1.00 1.00 H new ATOM 0 HA3 GLY A 65 8.943 -5.605 1.027 1.00 1.00 H new ATOM 944 N LEU A 66 8.315 -3.893 -1.185 1.00 1.00 N ATOM 945 CA LEU A 66 7.417 -3.008 -1.947 1.00 1.00 C ATOM 946 C LEU A 66 6.769 -3.780 -3.089 1.00 1.00 C ATOM 947 O LEU A 66 7.401 -4.588 -3.770 1.00 1.00 O ATOM 948 CB LEU A 66 8.206 -1.802 -2.480 1.00 1.00 C ATOM 949 CG LEU A 66 7.293 -0.766 -3.232 1.00 1.00 C ATOM 950 CD1 LEU A 66 6.124 -0.244 -2.334 1.00 1.00 C ATOM 951 CD2 LEU A 66 8.171 0.430 -3.661 1.00 1.00 C ATOM 0 H LEU A 66 8.734 -4.645 -1.733 1.00 1.00 H new ATOM 0 HA LEU A 66 6.627 -2.643 -1.291 1.00 1.00 H new ATOM 0 HB2 LEU A 66 8.706 -1.304 -1.649 1.00 1.00 H new ATOM 0 HB3 LEU A 66 8.985 -2.153 -3.157 1.00 1.00 H new ATOM 0 HG LEU A 66 6.847 -1.265 -4.092 1.00 1.00 H new ATOM 0 HD11 LEU A 66 5.522 0.469 -2.898 1.00 1.00 H new ATOM 0 HD12 LEU A 66 5.500 -1.083 -2.026 1.00 1.00 H new ATOM 0 HD13 LEU A 66 6.534 0.246 -1.451 1.00 1.00 H new ATOM 0 HD21 LEU A 66 7.557 1.162 -4.185 1.00 1.00 H new ATOM 0 HD22 LEU A 66 8.613 0.892 -2.778 1.00 1.00 H new ATOM 0 HD23 LEU A 66 8.964 0.081 -4.323 1.00 1.00 H new ATOM 963 N ALA A 67 5.484 -3.510 -3.292 1.00 1.00 N ATOM 964 CA ALA A 67 4.680 -4.159 -4.335 1.00 1.00 C ATOM 965 C ALA A 67 4.086 -3.108 -5.258 1.00 1.00 C ATOM 966 O ALA A 67 3.973 -1.933 -4.909 1.00 1.00 O ATOM 967 CB ALA A 67 3.562 -4.974 -3.661 1.00 1.00 C ATOM 0 H ALA A 67 4.963 -2.831 -2.737 1.00 1.00 H new ATOM 0 HA ALA A 67 5.307 -4.823 -4.930 1.00 1.00 H new ATOM 0 HB1 ALA A 67 2.956 -5.462 -4.425 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.004 -5.729 -3.011 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.933 -4.309 -3.069 1.00 1.00 H new ATOM 973 N ARG A 68 3.690 -3.550 -6.447 1.00 1.00 N ATOM 974 CA ARG A 68 3.094 -2.635 -7.453 1.00 1.00 C ATOM 975 C ARG A 68 1.703 -3.132 -7.832 1.00 1.00 C ATOM 976 O ARG A 68 1.527 -4.271 -8.268 1.00 1.00 O ATOM 977 CB ARG A 68 4.009 -2.549 -8.706 1.00 1.00 C ATOM 978 CG ARG A 68 3.467 -1.495 -9.709 1.00 1.00 C ATOM 979 CD ARG A 68 4.388 -1.386 -10.938 1.00 1.00 C ATOM 980 NE ARG A 68 3.851 -0.381 -11.868 1.00 1.00 N ATOM 981 CZ ARG A 68 4.461 -0.069 -13.020 1.00 1.00 C ATOM 982 NH1 ARG A 68 5.576 -0.655 -13.371 1.00 1.00 N ATOM 983 NH2 ARG A 68 3.935 0.834 -13.806 1.00 1.00 N ATOM 0 H ARG A 68 3.763 -4.521 -6.749 1.00 1.00 H new ATOM 0 HA ARG A 68 3.006 -1.635 -7.028 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.023 -2.284 -8.405 1.00 1.00 H new ATOM 0 HB3 ARG A 68 4.064 -3.524 -9.190 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.461 -1.771 -10.026 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.391 -0.525 -9.218 1.00 1.00 H new ATOM 0 HD2 ARG A 68 5.395 -1.108 -10.627 1.00 1.00 H new ATOM 0 HD3 ARG A 68 4.464 -2.353 -11.435 1.00 1.00 H new ATOM 0 HE ARG A 68 2.982 0.096 -11.627 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.994 -1.361 -12.765 1.00 1.00 H new ATOM 0 HH12 ARG A 68 6.028 -0.406 -14.251 1.00 1.00 H new ATOM 0 HH21 ARG A 68 3.065 1.297 -13.541 1.00 1.00 H new ATOM 0 HH22 ARG A 68 4.394 1.076 -14.684 1.00 1.00 H new ATOM 997 N VAL A 69 0.714 -2.259 -7.671 1.00 1.00 N ATOM 998 CA VAL A 69 -0.682 -2.585 -7.994 1.00 1.00 C ATOM 999 C VAL A 69 -1.334 -1.399 -8.704 1.00 1.00 C ATOM 1000 O VAL A 69 -1.092 -0.236 -8.379 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.471 -2.940 -6.698 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.918 -3.394 -7.049 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.738 -4.076 -5.938 1.00 1.00 C ATOM 0 H VAL A 69 0.849 -1.312 -7.317 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.701 -3.452 -8.655 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.526 -2.053 -6.066 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.455 -3.638 -6.132 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.436 -2.588 -7.569 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.878 -4.274 -7.691 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -1.291 -4.323 -5.032 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.673 -4.958 -6.576 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.266 -3.747 -5.672 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.186 -1.716 -9.674 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.900 -0.686 -10.454 1.00 1.00 C ATOM 1015 C GLN A 70 -4.350 -0.584 -9.981 1.00 1.00 C ATOM 1016 O GLN A 70 -4.988 -1.597 -9.695 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.830 -1.041 -11.963 1.00 1.00 C ATOM 1018 CG GLN A 70 -3.379 -2.459 -12.226 1.00 1.00 C ATOM 1019 CD GLN A 70 -3.306 -2.791 -13.720 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -2.230 -2.736 -14.317 1.00 1.00 O ATOM 1021 NE2 GLN A 70 -4.393 -3.131 -14.362 1.00 1.00 N ATOM 0 H GLN A 70 -2.405 -2.674 -9.946 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.426 0.284 -10.302 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.403 -0.313 -12.538 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -1.798 -0.978 -12.307 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -2.805 -3.190 -11.656 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -4.411 -2.526 -11.882 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -5.284 -3.177 -13.868 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -4.350 -3.351 -15.357 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.866 0.640 -9.917 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.255 0.885 -9.488 1.00 1.00 C ATOM 1032 C TRP A 71 -6.875 2.000 -10.337 1.00 1.00 C ATOM 1033 O TRP A 71 -6.283 3.063 -10.529 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.297 1.282 -7.984 1.00 1.00 C ATOM 1035 CG TRP A 71 -7.731 1.425 -7.531 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -8.652 0.435 -7.554 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.417 2.605 -7.018 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -9.858 0.933 -7.110 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -9.768 2.266 -6.765 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.006 3.923 -6.755 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -10.681 3.203 -6.278 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -8.920 4.870 -6.259 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -10.257 4.510 -6.026 1.00 1.00 C ATOM 0 H TRP A 71 -4.348 1.485 -10.156 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.828 -0.032 -9.624 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -5.791 0.525 -7.385 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -5.763 2.220 -7.831 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.472 -0.582 -7.869 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -10.714 0.382 -7.044 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -6.981 4.211 -6.935 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -11.707 2.920 -6.097 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -8.592 5.879 -6.056 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -10.957 5.243 -5.652 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.085 1.748 -10.824 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.801 2.735 -11.643 1.00 1.00 C ATOM 1056 C LYS A 72 -9.605 3.663 -10.732 1.00 1.00 C ATOM 1057 O LYS A 72 -10.437 3.204 -9.950 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.739 2.018 -12.645 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.379 3.039 -13.624 1.00 1.00 C ATOM 1060 CD LYS A 72 -11.252 2.308 -14.668 1.00 1.00 C ATOM 1061 CE LYS A 72 -11.863 3.327 -15.649 1.00 1.00 C ATOM 1062 NZ LYS A 72 -10.764 4.064 -16.338 1.00 1.00 N ATOM 0 H LYS A 72 -8.593 0.877 -10.671 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.081 3.325 -12.209 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -9.177 1.271 -13.206 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.521 1.487 -12.103 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.986 3.754 -13.069 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.598 3.608 -14.128 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.650 1.582 -15.213 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -12.045 1.753 -14.167 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -12.489 2.816 -16.381 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -12.505 4.026 -15.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -11.065 4.316 -17.301 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -10.541 4.930 -15.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -9.919 3.460 -16.387 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.373 4.967 -10.859 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.088 5.937 -10.030 1.00 1.00 C ATOM 1078 C ALA A 73 -11.564 5.952 -10.427 1.00 1.00 C ATOM 1079 O ALA A 73 -11.891 6.066 -11.609 1.00 1.00 O ATOM 1080 CB ALA A 73 -9.476 7.338 -10.233 1.00 1.00 C ATOM 0 H ALA A 73 -8.707 5.373 -11.516 1.00 1.00 H new ATOM 0 HA ALA A 73 -10.000 5.658 -8.980 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.009 8.061 -9.615 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -8.425 7.321 -9.946 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -9.561 7.624 -11.281 1.00 1.00 H new ATOM 1086 N THR A 74 -12.447 5.846 -9.439 1.00 1.00 N ATOM 1087 CA THR A 74 -13.893 5.844 -9.692 1.00 1.00 C ATOM 1088 C THR A 74 -14.650 6.236 -8.434 1.00 1.00 C ATOM 1089 O THR A 74 -14.069 6.399 -7.361 1.00 1.00 O ATOM 1090 CB THR A 74 -14.357 4.451 -10.177 1.00 1.00 C ATOM 1091 OG1 THR A 74 -15.774 4.441 -10.273 1.00 1.00 O ATOM 1092 CG2 THR A 74 -13.911 3.347 -9.201 1.00 1.00 C ATOM 0 H THR A 74 -12.192 5.760 -8.455 1.00 1.00 H new ATOM 0 HA THR A 74 -14.106 6.574 -10.473 1.00 1.00 H new ATOM 0 HB THR A 74 -13.906 4.256 -11.150 1.00 1.00 H new ATOM 0 HG1 THR A 74 -16.075 3.561 -10.582 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.251 2.378 -9.567 1.00 1.00 H new ATOM 0 HG22 THR A 74 -12.824 3.345 -9.126 1.00 1.00 H new ATOM 0 HG23 THR A 74 -14.342 3.535 -8.218 1.00 1.00 H new ATOM 1254 N GLY A 85 -13.276 12.177 -0.458 1.00 1.00 N ATOM 1255 CA GLY A 85 -12.719 11.400 0.659 1.00 1.00 C ATOM 1256 C GLY A 85 -12.431 9.965 0.232 1.00 1.00 C ATOM 1257 O GLY A 85 -13.188 9.041 0.531 1.00 1.00 O ATOM 0 HA2 GLY A 85 -11.801 11.870 1.012 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -13.420 11.402 1.494 1.00 1.00 H new ATOM 1261 N VAL A 86 -11.319 9.789 -0.474 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.893 8.460 -0.972 1.00 1.00 C ATOM 1263 C VAL A 86 -9.483 8.139 -0.421 1.00 1.00 C ATOM 1264 O VAL A 86 -8.546 7.986 -1.206 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.896 8.470 -2.540 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -12.351 8.446 -3.084 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -10.178 9.735 -3.077 1.00 1.00 C ATOM 0 H VAL A 86 -10.684 10.548 -0.722 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.583 7.688 -0.631 1.00 1.00 H new ATOM 0 HB VAL A 86 -10.367 7.580 -2.880 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.332 8.453 -4.174 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -12.855 7.544 -2.736 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -12.888 9.324 -2.725 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -10.190 9.725 -4.167 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -10.692 10.626 -2.717 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -9.146 9.745 -2.725 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.332 8.012 0.870 1.00 1.00 N ATOM 1278 CA PRO A 87 -7.999 7.674 1.480 1.00 1.00 C ATOM 1279 C PRO A 87 -7.515 6.284 1.057 1.00 1.00 C ATOM 1280 O PRO A 87 -8.162 5.587 0.274 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.268 7.759 3.014 1.00 1.00 C ATOM 1282 CG PRO A 87 -9.733 7.452 3.125 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.364 8.192 1.940 1.00 1.00 C ATOM 0 HA PRO A 87 -7.204 8.347 1.157 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -7.663 7.041 3.569 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.033 8.747 3.410 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -9.920 6.380 3.070 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.142 7.799 4.074 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.324 7.762 1.656 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -10.540 9.244 2.164 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.362 5.895 1.591 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.750 4.580 1.283 1.00 1.00 C ATOM 1293 C VAL A 88 -5.280 3.899 2.568 1.00 1.00 C ATOM 1294 O VAL A 88 -5.050 4.540 3.593 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.557 4.779 0.306 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -5.076 5.329 -1.045 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -3.529 5.773 0.905 1.00 1.00 C ATOM 0 H VAL A 88 -5.821 6.464 2.242 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.495 3.940 0.810 1.00 1.00 H new ATOM 0 HB VAL A 88 -4.070 3.817 0.148 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -4.238 5.467 -1.728 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -5.784 4.622 -1.478 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -5.573 6.285 -0.882 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -2.700 5.902 0.209 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -4.011 6.735 1.077 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -3.152 5.382 1.850 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.136 2.579 2.494 1.00 1.00 N ATOM 1308 CA TYR A 89 -4.687 1.777 3.640 1.00 1.00 C ATOM 1309 C TYR A 89 -3.992 0.507 3.144 1.00 1.00 C ATOM 1310 O TYR A 89 -4.335 -0.063 2.107 1.00 1.00 O ATOM 1311 CB TYR A 89 -5.893 1.409 4.541 1.00 1.00 C ATOM 1312 CG TYR A 89 -6.458 2.681 5.201 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -5.895 3.163 6.403 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -7.529 3.380 4.615 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -6.401 4.326 7.002 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.026 4.542 5.221 1.00 1.00 C ATOM 1317 CZ TYR A 89 -7.465 5.014 6.409 1.00 1.00 C ATOM 1318 OH TYR A 89 -7.955 6.168 6.991 1.00 1.00 O ATOM 0 H TYR A 89 -5.323 2.036 1.651 1.00 1.00 H new ATOM 0 HA TYR A 89 -3.980 2.363 4.227 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -6.667 0.922 3.948 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -5.583 0.698 5.307 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.073 2.635 6.862 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -7.969 3.021 3.697 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -5.969 4.691 7.922 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -8.848 5.075 4.766 1.00 1.00 H new ATOM 0 HH TYR A 89 -8.692 6.520 6.450 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.013 0.061 3.924 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.241 -1.150 3.585 1.00 1.00 C ATOM 1330 C ALA A 90 -1.881 -1.910 4.855 1.00 1.00 C ATOM 1331 O ALA A 90 -1.621 -1.313 5.900 1.00 1.00 O ATOM 1332 CB ALA A 90 -0.966 -0.737 2.831 1.00 1.00 C ATOM 0 H ALA A 90 -2.729 0.511 4.794 1.00 1.00 H new ATOM 0 HA ALA A 90 -2.841 -1.803 2.951 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.389 -1.626 2.577 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.239 -0.208 1.918 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.365 -0.084 3.463 1.00 1.00 H new ATOM 1338 N VAL A 91 -1.865 -3.236 4.754 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.550 -4.108 5.904 1.00 1.00 C ATOM 1340 C VAL A 91 -0.698 -5.299 5.448 1.00 1.00 C ATOM 1341 O VAL A 91 -0.893 -5.850 4.365 1.00 1.00 O ATOM 1342 CB VAL A 91 -2.869 -4.615 6.560 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.559 -5.431 7.843 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.773 -3.410 6.931 1.00 1.00 C ATOM 0 H VAL A 91 -2.066 -3.740 3.890 1.00 1.00 H new ATOM 0 HA VAL A 91 -0.984 -3.534 6.638 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.384 -5.255 5.844 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.492 -5.777 8.288 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -1.938 -6.290 7.587 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -2.029 -4.800 8.556 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.693 -3.773 7.389 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.248 -2.764 7.634 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.014 -2.845 6.030 1.00 1.00 H new ATOM 1354 N VAL A 92 0.248 -5.686 6.297 1.00 1.00 N ATOM 1355 CA VAL A 92 1.139 -6.820 6.009 1.00 1.00 C ATOM 1356 C VAL A 92 0.552 -8.104 6.608 1.00 1.00 C ATOM 1357 O VAL A 92 0.104 -8.117 7.755 1.00 1.00 O ATOM 1358 CB VAL A 92 2.549 -6.527 6.605 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.499 -6.376 8.148 1.00 1.00 C ATOM 1360 CG2 VAL A 92 3.553 -7.648 6.227 1.00 1.00 C ATOM 0 H VAL A 92 0.423 -5.234 7.194 1.00 1.00 H new ATOM 0 HA VAL A 92 1.232 -6.956 4.931 1.00 1.00 H new ATOM 0 HB VAL A 92 2.886 -5.583 6.177 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.501 -6.173 8.526 1.00 1.00 H new ATOM 0 HG12 VAL A 92 1.837 -5.551 8.412 1.00 1.00 H new ATOM 0 HG13 VAL A 92 2.124 -7.298 8.592 1.00 1.00 H new ATOM 0 HG21 VAL A 92 4.530 -7.421 6.654 1.00 1.00 H new ATOM 0 HG22 VAL A 92 3.198 -8.601 6.619 1.00 1.00 H new ATOM 0 HG23 VAL A 92 3.637 -7.710 5.142 1.00 1.00 H new ATOM 1370 N ASP A 93 0.598 -9.184 5.837 1.00 1.00 N ATOM 1371 CA ASP A 93 0.065 -10.481 6.291 1.00 1.00 C ATOM 1372 C ASP A 93 0.550 -10.822 7.728 1.00 1.00 C ATOM 1373 O ASP A 93 1.753 -10.717 7.965 1.00 1.00 O ATOM 1374 CB ASP A 93 0.526 -11.576 5.314 1.00 1.00 C ATOM 1375 CG ASP A 93 -0.054 -12.945 5.688 1.00 1.00 C ATOM 1376 OD1 ASP A 93 -1.220 -13.172 5.405 1.00 1.00 O ATOM 1377 OD2 ASP A 93 0.679 -13.745 6.248 1.00 1.00 O ATOM 0 H ASP A 93 0.995 -9.197 4.898 1.00 1.00 H new ATOM 0 HA ASP A 93 -1.023 -10.424 6.312 1.00 1.00 H new ATOM 0 HB2 ASP A 93 0.219 -11.314 4.301 1.00 1.00 H new ATOM 0 HB3 ASP A 93 1.615 -11.629 5.313 1.00 1.00 H new ATOM 1542 N ASN A 105 0.848 -0.964 14.903 1.00 1.00 N ATOM 1543 CA ASN A 105 2.088 -0.159 14.871 1.00 1.00 C ATOM 1544 C ASN A 105 2.534 0.066 13.416 1.00 1.00 C ATOM 1545 O ASN A 105 3.059 1.134 13.099 1.00 1.00 O ATOM 1546 CB ASN A 105 3.215 -0.872 15.661 1.00 1.00 C ATOM 1547 CG ASN A 105 4.480 -0.002 15.757 1.00 1.00 C ATOM 1548 OD1 ASN A 105 4.395 1.217 15.912 1.00 1.00 O ATOM 1549 ND2 ASN A 105 5.657 -0.571 15.681 1.00 1.00 N ATOM 0 HA ASN A 105 1.887 0.806 15.337 1.00 1.00 H new ATOM 0 HB2 ASN A 105 2.861 -1.112 16.664 1.00 1.00 H new ATOM 0 HB3 ASN A 105 3.459 -1.817 15.175 1.00 1.00 H new ATOM 0 HD21 ASN A 105 6.503 -0.005 15.750 1.00 1.00 H new ATOM 0 HD22 ASN A 105 5.728 -1.580 15.553 1.00 1.00 H new ATOM 1556 N ASN A 106 2.342 -0.929 12.556 1.00 1.00 N ATOM 1557 CA ASN A 106 2.730 -0.861 11.124 1.00 1.00 C ATOM 1558 C ASN A 106 1.559 -0.370 10.259 1.00 1.00 C ATOM 1559 O ASN A 106 1.263 -0.925 9.201 1.00 1.00 O ATOM 1560 CB ASN A 106 3.194 -2.265 10.648 1.00 1.00 C ATOM 1561 CG ASN A 106 2.121 -3.321 10.922 1.00 1.00 C ATOM 1562 OD1 ASN A 106 2.370 -4.277 11.657 1.00 1.00 O ATOM 1563 ND2 ASN A 106 0.947 -3.223 10.360 1.00 1.00 N ATOM 0 H ASN A 106 1.912 -1.816 12.820 1.00 1.00 H new ATOM 0 HA ASN A 106 3.549 -0.149 11.017 1.00 1.00 H new ATOM 0 HB2 ASN A 106 3.416 -2.236 9.581 1.00 1.00 H new ATOM 0 HB3 ASN A 106 4.117 -2.539 11.159 1.00 1.00 H new ATOM 0 HD21 ASN A 106 0.239 -3.937 10.530 1.00 1.00 H new ATOM 0 HD22 ASN A 106 0.738 -2.432 9.751 1.00 1.00 H new ATOM 1570 N VAL A 107 0.911 0.694 10.723 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.237 1.292 9.992 1.00 1.00 C ATOM 1572 C VAL A 107 0.225 2.553 9.272 1.00 1.00 C ATOM 1573 O VAL A 107 0.943 3.386 9.827 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.393 1.626 10.975 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -2.619 2.225 10.219 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -1.826 0.331 11.694 1.00 1.00 C ATOM 0 H VAL A 107 1.147 1.168 11.595 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.609 0.574 9.261 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.037 2.365 11.693 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -3.412 2.449 10.932 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -2.320 3.141 9.709 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -2.982 1.504 9.487 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -2.637 0.553 12.387 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.167 -0.397 10.958 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -0.980 -0.079 12.246 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.210 2.690 8.023 1.00 1.00 N ATOM 1587 CA PHE A 108 0.150 3.852 7.204 1.00 1.00 C ATOM 1588 C PHE A 108 -1.027 4.244 6.316 1.00 1.00 C ATOM 1589 O PHE A 108 -1.775 3.394 5.831 1.00 1.00 O ATOM 1590 CB PHE A 108 1.390 3.513 6.340 1.00 1.00 C ATOM 1591 CG PHE A 108 2.529 3.024 7.250 1.00 1.00 C ATOM 1592 CD1 PHE A 108 3.108 3.908 8.183 1.00 1.00 C ATOM 1593 CD2 PHE A 108 3.007 1.693 7.174 1.00 1.00 C ATOM 1594 CE1 PHE A 108 4.141 3.470 9.024 1.00 1.00 C ATOM 1595 CE2 PHE A 108 4.043 1.266 8.018 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.606 2.153 8.943 1.00 1.00 C ATOM 0 H PHE A 108 -0.812 2.014 7.553 1.00 1.00 H new ATOM 0 HA PHE A 108 0.392 4.694 7.853 1.00 1.00 H new ATOM 0 HB2 PHE A 108 1.138 2.745 5.609 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.709 4.393 5.781 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.755 4.926 8.250 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.573 1.005 6.464 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.579 4.152 9.737 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.407 0.251 7.954 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.400 1.820 9.595 1.00 1.00 H new ATOM 1606 N SER A 109 -1.167 5.546 6.090 1.00 1.00 N ATOM 1607 CA SER A 109 -2.246 6.067 5.257 1.00 1.00 C ATOM 1608 C SER A 109 -1.951 7.512 4.886 1.00 1.00 C ATOM 1609 O SER A 109 -1.348 8.262 5.654 1.00 1.00 O ATOM 1610 CB SER A 109 -3.578 5.979 6.019 1.00 1.00 C ATOM 1611 OG SER A 109 -4.634 6.450 5.189 1.00 1.00 O ATOM 0 H SER A 109 -0.547 6.260 6.472 1.00 1.00 H new ATOM 0 HA SER A 109 -2.320 5.473 4.346 1.00 1.00 H new ATOM 0 HB2 SER A 109 -3.770 4.949 6.319 1.00 1.00 H new ATOM 0 HB3 SER A 109 -3.527 6.573 6.932 1.00 1.00 H new ATOM 0 HG SER A 109 -5.013 5.700 4.684 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.397 7.902 3.697 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.185 9.277 3.208 1.00 1.00 C ATOM 1619 C ARG A 110 -3.488 9.816 2.624 1.00 1.00 C ATOM 1620 O ARG A 110 -4.110 9.197 1.760 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.065 9.287 2.138 1.00 1.00 C ATOM 1622 CG ARG A 110 -0.733 10.741 1.704 1.00 1.00 C ATOM 1623 CD ARG A 110 0.363 10.754 0.626 1.00 1.00 C ATOM 1624 NE ARG A 110 0.744 12.142 0.319 1.00 1.00 N ATOM 1625 CZ ARG A 110 -0.066 12.976 -0.353 1.00 1.00 C ATOM 1626 NH1 ARG A 110 -1.219 12.562 -0.806 1.00 1.00 N ATOM 1627 NH2 ARG A 110 0.302 14.211 -0.562 1.00 1.00 N ATOM 0 H ARG A 110 -2.905 7.297 3.051 1.00 1.00 H new ATOM 0 HA ARG A 110 -1.879 9.916 4.036 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -0.171 8.808 2.536 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -1.379 8.706 1.271 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -1.632 11.225 1.321 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -0.405 11.317 2.569 1.00 1.00 H new ATOM 0 HD2 ARG A 110 1.233 10.197 0.972 1.00 1.00 H new ATOM 0 HD3 ARG A 110 0.005 10.258 -0.276 1.00 1.00 H new ATOM 0 HE ARG A 110 1.655 12.482 0.627 1.00 1.00 H new ATOM 0 HH11 ARG A 110 -1.511 11.597 -0.650 1.00 1.00 H new ATOM 0 HH12 ARG A 110 -1.827 13.203 -1.315 1.00 1.00 H new ATOM 0 HH21 ARG A 110 1.203 14.540 -0.215 1.00 1.00 H new ATOM 0 HH22 ARG A 110 -0.311 14.847 -1.072 1.00 1.00 H new ATOM 1641 N ILE A 111 -3.880 10.997 3.092 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.106 11.633 2.612 1.00 1.00 C ATOM 1643 C ILE A 111 -4.822 12.338 1.272 1.00 1.00 C ATOM 1644 O ILE A 111 -3.843 13.072 1.140 1.00 1.00 O ATOM 1645 CB ILE A 111 -5.629 12.654 3.672 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -5.634 12.015 5.105 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -7.054 13.133 3.303 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -6.412 10.680 5.160 1.00 1.00 C ATOM 0 H ILE A 111 -3.372 11.531 3.797 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.876 10.876 2.459 1.00 1.00 H new ATOM 0 HB ILE A 111 -4.957 13.512 3.676 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -4.606 11.845 5.426 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -6.077 12.718 5.810 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.404 13.844 4.051 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -7.034 13.615 2.326 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -7.729 12.277 3.272 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.382 10.283 6.175 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -7.448 10.850 4.867 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -5.955 9.964 4.477 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.696 12.114 0.296 1.00 1.00 N ATOM 1661 CA VAL A 112 -5.540 12.728 -1.039 1.00 1.00 C ATOM 1662 C VAL A 112 -6.912 12.966 -1.668 1.00 1.00 C ATOM 1663 O VAL A 112 -7.827 12.155 -1.524 1.00 1.00 O ATOM 1664 CB VAL A 112 -4.647 11.818 -1.941 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -5.286 10.426 -2.146 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -4.401 12.472 -3.326 1.00 1.00 C ATOM 0 H VAL A 112 -6.518 11.518 0.393 1.00 1.00 H new ATOM 0 HA VAL A 112 -5.045 13.694 -0.941 1.00 1.00 H new ATOM 0 HB VAL A 112 -3.694 11.699 -1.425 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -4.639 9.818 -2.778 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -5.412 9.938 -1.180 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -6.259 10.539 -2.625 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -3.776 11.816 -3.932 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -5.355 12.630 -3.828 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -3.898 13.430 -3.192 1.00 1.00 H new ATOM 1676 N LYS A 113 -7.037 14.080 -2.382 1.00 1.00 N ATOM 1677 CA LYS A 113 -8.299 14.449 -3.051 1.00 1.00 C ATOM 1678 C LYS A 113 -8.009 14.917 -4.474 1.00 1.00 C ATOM 1679 O LYS A 113 -6.956 15.486 -4.762 1.00 1.00 O ATOM 1680 CB LYS A 113 -9.006 15.577 -2.247 1.00 1.00 C ATOM 1681 CG LYS A 113 -9.399 15.059 -0.842 1.00 1.00 C ATOM 1682 CD LYS A 113 -10.148 16.149 -0.042 1.00 1.00 C ATOM 1683 CE LYS A 113 -10.494 15.621 1.368 1.00 1.00 C ATOM 1684 NZ LYS A 113 -11.331 14.388 1.255 1.00 1.00 N ATOM 0 H LYS A 113 -6.281 14.752 -2.518 1.00 1.00 H new ATOM 0 HA LYS A 113 -8.956 13.580 -3.093 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -8.344 16.438 -2.154 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -9.894 15.914 -2.781 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -10.030 14.175 -0.939 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -8.504 14.754 -0.299 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -9.531 17.044 0.037 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -11.060 16.436 -0.566 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -9.579 15.402 1.919 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -11.030 16.385 1.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -12.085 14.413 1.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -11.756 14.342 0.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -10.736 13.549 1.409 1.00 1.00 H new ATOM 1698 N VAL A 114 -8.970 14.681 -5.361 1.00 1.00 N ATOM 1699 CA VAL A 114 -8.847 15.064 -6.780 1.00 1.00 C ATOM 1700 C VAL A 114 -9.557 16.403 -7.020 1.00 1.00 C ATOM 1701 O VAL A 114 -10.663 16.624 -6.525 1.00 1.00 O ATOM 1702 CB VAL A 114 -9.445 13.939 -7.681 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -8.618 12.637 -7.514 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -10.924 13.658 -7.304 1.00 1.00 C ATOM 0 H VAL A 114 -9.852 14.224 -5.129 1.00 1.00 H new ATOM 0 HA VAL A 114 -7.795 15.186 -7.038 1.00 1.00 H new ATOM 0 HB VAL A 114 -9.404 14.273 -8.718 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -9.040 11.855 -8.145 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -7.585 12.822 -7.807 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -8.648 12.318 -6.472 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -11.320 12.870 -7.945 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -10.980 13.341 -6.263 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -11.513 14.565 -7.439 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.916 17.283 -7.782 1.00 1.00 N ATOM 1715 CA LEU A 115 -9.486 18.608 -8.089 1.00 1.00 C ATOM 1716 C LEU A 115 -8.962 19.106 -9.451 1.00 1.00 C ATOM 1717 O LEU A 115 -7.773 19.027 -9.758 1.00 1.00 O ATOM 1718 CB LEU A 115 -9.135 19.628 -6.950 1.00 1.00 C ATOM 1719 CG LEU A 115 -10.044 20.932 -7.001 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -11.392 20.707 -6.257 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -9.315 22.139 -6.344 1.00 1.00 C ATOM 0 H LEU A 115 -8.002 17.111 -8.202 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.571 18.523 -8.147 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -9.255 19.142 -5.982 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -8.087 19.916 -7.034 1.00 1.00 H new ATOM 0 HG LEU A 115 -10.240 21.145 -8.052 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -11.992 21.615 -6.309 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -11.934 19.887 -6.727 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -11.195 20.461 -5.214 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -9.955 23.020 -6.390 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -9.092 21.907 -5.303 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -8.386 22.337 -6.878 1.00 1.00 H new