USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 38 TYR OH : rot 77:sc= 1.85 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 150:sc= 0.588 (180deg=-0.671) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.101 K(o=1.3,f=1.9) USER MOD Set 2.2: A 48 SER OG : rot -36:sc= 1.15 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0.0708 USER MOD Set 3.2: A 46 THR OG1 : rot -167:sc= 1.77 USER MOD Set 4.1: A 40 ASN : amide:sc= 1.28 K(o=1.9,f=0.19) USER MOD Set 4.2: A 43 SER OG : rot -110:sc= 0.657 USER MOD Set 5.1: A 11 GLN : amide:sc= 0.788 K(o=1.1,f=-1.9) USER MOD Set 5.2: A 14 LYS NZ :NH3+ -179:sc= 0.316 (180deg=-0.765) USER MOD Single : A 15 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0648) USER MOD Single : A 18 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc=-0.00352 (180deg=-0.106) USER MOD Single : A 34 MET CE :methyl 179:sc= -0.985 (180deg=-0.994) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc=-0.00014 (180deg=-0.0837) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 56 SER OG : rot 180:sc= -0.304 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0267) USER MOD Single : A 59 ASN : amide:sc=-0.000651 K(o=-0.00065,f=-1) USER MOD Single : A 60 MET CE :methyl -119:sc= -1 (180deg=-9.06!) USER MOD Single : A 61 CYS SG : rot -27:sc= 0.201 USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 0.533 (180deg=0.526) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0693 (180deg=-0.0693) USER MOD Single : A 72 ASN : amide:sc= -0.675! K(o=-0.67!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 4.198 6.650 1.131 1.00 0.00 N ATOM 16 CA LEU A 6 5.248 7.087 2.044 1.00 0.00 C ATOM 17 C LEU A 6 5.967 5.883 2.647 1.00 0.00 C ATOM 18 O LEU A 6 7.192 5.856 2.690 1.00 0.00 O ATOM 19 CB LEU A 6 4.684 7.986 3.150 1.00 0.00 C ATOM 20 CG LEU A 6 4.377 9.409 2.658 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.128 9.462 1.767 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.161 10.323 3.870 1.00 0.00 C ATOM 0 HA LEU A 6 5.968 7.672 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.773 7.539 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.399 8.036 3.972 1.00 0.00 H new ATOM 0 HG LEU A 6 5.226 9.741 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.954 10.489 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.278 8.828 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.265 9.107 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.943 11.335 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.324 9.951 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.062 10.334 4.483 1.00 0.00 H new ATOM 34 N GLU A 7 5.195 4.873 3.055 1.00 0.00 N ATOM 35 CA GLU A 7 5.680 3.597 3.558 1.00 0.00 C ATOM 36 C GLU A 7 6.724 2.994 2.613 1.00 0.00 C ATOM 37 O GLU A 7 7.766 2.512 3.053 1.00 0.00 O ATOM 38 CB GLU A 7 4.505 2.622 3.743 1.00 0.00 C ATOM 39 CG GLU A 7 3.381 3.161 4.647 1.00 0.00 C ATOM 40 CD GLU A 7 2.267 3.910 3.910 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.523 4.379 2.778 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.172 4.011 4.503 1.00 0.00 O ATOM 0 H GLU A 7 4.177 4.929 3.041 1.00 0.00 H new ATOM 0 HA GLU A 7 6.156 3.769 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.087 2.382 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.882 1.691 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.940 2.326 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.819 3.829 5.389 1.00 0.00 H new ATOM 49 N GLU A 8 6.439 3.015 1.311 1.00 0.00 N ATOM 50 CA GLU A 8 7.332 2.483 0.301 1.00 0.00 C ATOM 51 C GLU A 8 8.561 3.384 0.183 1.00 0.00 C ATOM 52 O GLU A 8 9.687 2.893 0.178 1.00 0.00 O ATOM 53 CB GLU A 8 6.606 2.362 -1.044 1.00 0.00 C ATOM 54 CG GLU A 8 5.308 1.550 -0.948 1.00 0.00 C ATOM 55 CD GLU A 8 4.651 1.407 -2.317 1.00 0.00 C ATOM 56 OE1 GLU A 8 5.328 0.864 -3.216 1.00 0.00 O ATOM 57 OE2 GLU A 8 3.488 1.849 -2.442 1.00 0.00 O ATOM 0 H GLU A 8 5.576 3.405 0.933 1.00 0.00 H new ATOM 0 HA GLU A 8 7.657 1.485 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.378 3.360 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.270 1.892 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.522 0.563 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.619 2.039 -0.259 1.00 0.00 H new ATOM 64 N LEU A 9 8.342 4.698 0.078 1.00 0.00 N ATOM 65 CA LEU A 9 9.410 5.682 -0.056 1.00 0.00 C ATOM 66 C LEU A 9 10.416 5.575 1.091 1.00 0.00 C ATOM 67 O LEU A 9 11.605 5.436 0.826 1.00 0.00 O ATOM 68 CB LEU A 9 8.825 7.101 -0.157 1.00 0.00 C ATOM 69 CG LEU A 9 7.969 7.335 -1.415 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.370 8.744 -1.350 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.785 7.172 -2.704 1.00 0.00 C ATOM 0 H LEU A 9 7.408 5.108 0.084 1.00 0.00 H new ATOM 0 HA LEU A 9 9.951 5.471 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.216 7.296 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.642 7.822 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 9 7.178 6.585 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.761 8.922 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.749 8.835 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.173 9.479 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.142 7.346 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.603 7.892 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.191 6.162 -2.752 1.00 0.00 H new ATOM 83 N GLU A 10 9.972 5.633 2.351 1.00 0.00 N ATOM 84 CA GLU A 10 10.882 5.598 3.492 1.00 0.00 C ATOM 85 C GLU A 10 11.713 4.321 3.493 1.00 0.00 C ATOM 86 O GLU A 10 12.941 4.362 3.501 1.00 0.00 O ATOM 87 CB GLU A 10 10.130 5.786 4.815 1.00 0.00 C ATOM 88 CG GLU A 10 9.037 4.768 5.163 1.00 0.00 C ATOM 89 CD GLU A 10 8.106 5.306 6.243 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.114 5.967 5.863 1.00 0.00 O ATOM 91 OE2 GLU A 10 8.407 5.054 7.429 1.00 0.00 O ATOM 0 H GLU A 10 8.986 5.704 2.603 1.00 0.00 H new ATOM 0 HA GLU A 10 11.571 6.437 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.863 5.780 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.675 6.777 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.461 4.529 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.496 3.840 5.504 1.00 0.00 H new ATOM 98 N GLN A 11 11.024 3.183 3.487 1.00 0.00 N ATOM 99 CA GLN A 11 11.648 1.869 3.428 1.00 0.00 C ATOM 100 C GLN A 11 12.662 1.809 2.284 1.00 0.00 C ATOM 101 O GLN A 11 13.829 1.487 2.511 1.00 0.00 O ATOM 102 CB GLN A 11 10.583 0.772 3.279 1.00 0.00 C ATOM 103 CG GLN A 11 9.744 0.596 4.554 1.00 0.00 C ATOM 104 CD GLN A 11 10.577 0.082 5.724 1.00 0.00 C ATOM 105 OE1 GLN A 11 10.850 0.812 6.670 1.00 0.00 O ATOM 106 NE2 GLN A 11 11.007 -1.173 5.664 1.00 0.00 N ATOM 0 H GLN A 11 10.005 3.149 3.523 1.00 0.00 H new ATOM 0 HA GLN A 11 12.181 1.696 4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.925 1.018 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.069 -0.172 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.291 1.550 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.928 -0.100 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.764 -1.758 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.580 -1.552 6.418 1.00 0.00 H new ATOM 115 N PHE A 12 12.230 2.128 1.061 1.00 0.00 N ATOM 116 CA PHE A 12 13.101 2.146 -0.106 1.00 0.00 C ATOM 117 C PHE A 12 14.318 3.035 0.141 1.00 0.00 C ATOM 118 O PHE A 12 15.439 2.611 -0.115 1.00 0.00 O ATOM 119 CB PHE A 12 12.329 2.596 -1.353 1.00 0.00 C ATOM 120 CG PHE A 12 13.222 2.863 -2.551 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.697 1.804 -3.348 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.706 4.166 -2.764 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.630 2.058 -4.370 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.685 4.403 -3.748 1.00 0.00 C ATOM 125 CZ PHE A 12 15.136 3.353 -4.560 1.00 0.00 C ATOM 0 H PHE A 12 11.263 2.381 0.857 1.00 0.00 H new ATOM 0 HA PHE A 12 13.459 1.132 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.600 1.830 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.769 3.501 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.345 0.798 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.326 4.986 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.958 1.253 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.089 5.396 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.871 3.540 -5.329 1.00 0.00 H new ATOM 135 N ALA A 13 14.108 4.258 0.631 1.00 0.00 N ATOM 136 CA ALA A 13 15.164 5.224 0.897 1.00 0.00 C ATOM 137 C ALA A 13 16.190 4.660 1.883 1.00 0.00 C ATOM 138 O ALA A 13 17.390 4.655 1.614 1.00 0.00 O ATOM 139 CB ALA A 13 14.544 6.528 1.409 1.00 0.00 C ATOM 0 H ALA A 13 13.177 4.608 0.857 1.00 0.00 H new ATOM 0 HA ALA A 13 15.699 5.435 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.334 7.252 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.866 6.929 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.991 6.332 2.327 1.00 0.00 H new ATOM 145 N LYS A 14 15.729 4.164 3.031 1.00 0.00 N ATOM 146 CA LYS A 14 16.602 3.569 4.035 1.00 0.00 C ATOM 147 C LYS A 14 17.358 2.378 3.437 1.00 0.00 C ATOM 148 O LYS A 14 18.576 2.268 3.571 1.00 0.00 O ATOM 149 CB LYS A 14 15.774 3.169 5.261 1.00 0.00 C ATOM 150 CG LYS A 14 15.256 4.422 5.982 1.00 0.00 C ATOM 151 CD LYS A 14 14.553 4.122 7.313 1.00 0.00 C ATOM 152 CE LYS A 14 13.242 3.335 7.162 1.00 0.00 C ATOM 153 NZ LYS A 14 13.458 1.878 7.142 1.00 0.00 N ATOM 0 H LYS A 14 14.742 4.165 3.288 1.00 0.00 H new ATOM 0 HA LYS A 14 17.347 4.296 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.935 2.544 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.383 2.574 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.093 5.096 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.563 4.948 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.232 3.558 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.344 5.063 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.573 3.589 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.744 3.638 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.546 1.393 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.088 1.631 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.893 1.579 8.038 1.00 0.00 H new ATOM 167 N THR A 15 16.643 1.501 2.736 1.00 0.00 N ATOM 168 CA THR A 15 17.256 0.355 2.073 1.00 0.00 C ATOM 169 C THR A 15 18.279 0.831 1.035 1.00 0.00 C ATOM 170 O THR A 15 19.342 0.233 0.885 1.00 0.00 O ATOM 171 CB THR A 15 16.179 -0.557 1.467 1.00 0.00 C ATOM 172 OG1 THR A 15 15.210 -0.869 2.446 1.00 0.00 O ATOM 173 CG2 THR A 15 16.764 -1.886 0.983 1.00 0.00 C ATOM 0 H THR A 15 15.632 1.564 2.613 1.00 0.00 H new ATOM 0 HA THR A 15 17.796 -0.242 2.807 1.00 0.00 H new ATOM 0 HB THR A 15 15.746 -0.017 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.604 -0.107 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.969 -2.501 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.518 -1.695 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.222 -2.409 1.823 1.00 0.00 H new ATOM 181 N PHE A 16 17.978 1.918 0.322 1.00 0.00 N ATOM 182 CA PHE A 16 18.886 2.542 -0.623 1.00 0.00 C ATOM 183 C PHE A 16 20.145 2.990 0.113 1.00 0.00 C ATOM 184 O PHE A 16 21.245 2.712 -0.347 1.00 0.00 O ATOM 185 CB PHE A 16 18.200 3.678 -1.397 1.00 0.00 C ATOM 186 CG PHE A 16 19.116 4.314 -2.416 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.030 5.306 -2.014 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.189 3.780 -3.713 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.015 5.759 -2.908 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.161 4.247 -4.611 1.00 0.00 C ATOM 191 CZ PHE A 16 21.061 5.253 -4.216 1.00 0.00 C ATOM 0 H PHE A 16 17.078 2.393 0.392 1.00 0.00 H new ATOM 0 HA PHE A 16 19.183 1.816 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.315 3.289 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.858 4.438 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.974 5.719 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.497 3.010 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.736 6.496 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.218 3.833 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.787 5.636 -4.919 1.00 0.00 H new ATOM 201 N LYS A 17 20.003 3.644 1.269 1.00 0.00 N ATOM 202 CA LYS A 17 21.149 4.008 2.089 1.00 0.00 C ATOM 203 C LYS A 17 21.977 2.764 2.435 1.00 0.00 C ATOM 204 O LYS A 17 23.189 2.747 2.232 1.00 0.00 O ATOM 205 CB LYS A 17 20.698 4.765 3.345 1.00 0.00 C ATOM 206 CG LYS A 17 21.880 5.500 3.993 1.00 0.00 C ATOM 207 CD LYS A 17 21.443 6.143 5.315 1.00 0.00 C ATOM 208 CE LYS A 17 22.579 6.948 5.959 1.00 0.00 C ATOM 209 NZ LYS A 17 23.722 6.093 6.328 1.00 0.00 N ATOM 0 H LYS A 17 19.103 3.930 1.654 1.00 0.00 H new ATOM 0 HA LYS A 17 21.790 4.680 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.918 5.480 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 17 20.263 4.066 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.698 4.802 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.258 6.266 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.590 6.797 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.111 5.367 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.913 7.721 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.205 7.456 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 24.423 6.657 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.391 5.310 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 24.160 5.708 5.467 1.00 0.00 H new ATOM 223 N GLN A 18 21.347 1.703 2.943 1.00 0.00 N ATOM 224 CA GLN A 18 22.087 0.488 3.266 1.00 0.00 C ATOM 225 C GLN A 18 22.831 -0.043 2.034 1.00 0.00 C ATOM 226 O GLN A 18 24.027 -0.326 2.102 1.00 0.00 O ATOM 227 CB GLN A 18 21.159 -0.576 3.873 1.00 0.00 C ATOM 228 CG GLN A 18 20.523 -0.125 5.196 1.00 0.00 C ATOM 229 CD GLN A 18 21.562 0.269 6.242 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.688 1.435 6.597 1.00 0.00 O ATOM 231 NE2 GLN A 18 22.328 -0.699 6.736 1.00 0.00 N ATOM 0 H GLN A 18 20.346 1.662 3.136 1.00 0.00 H new ATOM 0 HA GLN A 18 22.836 0.734 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.371 -0.814 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.725 -1.492 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.863 0.722 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.903 -0.930 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 18 22.200 -1.661 6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 18 23.043 -0.480 7.429 1.00 0.00 H new ATOM 240 N ARG A 19 22.144 -0.150 0.895 1.00 0.00 N ATOM 241 CA ARG A 19 22.757 -0.572 -0.358 1.00 0.00 C ATOM 242 C ARG A 19 23.924 0.351 -0.740 1.00 0.00 C ATOM 243 O ARG A 19 24.977 -0.130 -1.145 1.00 0.00 O ATOM 244 CB ARG A 19 21.693 -0.671 -1.461 1.00 0.00 C ATOM 245 CG ARG A 19 20.766 -1.874 -1.212 1.00 0.00 C ATOM 246 CD ARG A 19 19.583 -1.919 -2.187 1.00 0.00 C ATOM 247 NE ARG A 19 18.669 -0.789 -1.965 1.00 0.00 N ATOM 248 CZ ARG A 19 17.612 -0.478 -2.734 1.00 0.00 C ATOM 249 NH1 ARG A 19 17.360 -1.173 -3.849 1.00 0.00 N ATOM 250 NH2 ARG A 19 16.808 0.530 -2.378 1.00 0.00 N ATOM 0 H ARG A 19 21.148 0.054 0.819 1.00 0.00 H new ATOM 0 HA ARG A 19 23.183 -1.567 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.106 0.247 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.177 -0.773 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.341 -2.796 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.389 -1.832 -0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.952 -1.896 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.042 -2.857 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 19 18.853 -0.191 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.972 -1.943 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.556 -0.933 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.999 1.058 -1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.004 0.770 -2.958 1.00 0.00 H new ATOM 264 N ARG A 20 23.766 1.667 -0.581 1.00 0.00 N ATOM 265 CA ARG A 20 24.809 2.659 -0.819 1.00 0.00 C ATOM 266 C ARG A 20 26.060 2.322 -0.004 1.00 0.00 C ATOM 267 O ARG A 20 27.170 2.310 -0.544 1.00 0.00 O ATOM 268 CB ARG A 20 24.272 4.053 -0.462 1.00 0.00 C ATOM 269 CG ARG A 20 25.240 5.178 -0.824 1.00 0.00 C ATOM 270 CD ARG A 20 24.746 6.517 -0.267 1.00 0.00 C ATOM 271 NE ARG A 20 24.773 6.541 1.202 1.00 0.00 N ATOM 272 CZ ARG A 20 25.704 7.154 1.946 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.857 7.574 1.414 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.459 7.371 3.242 1.00 0.00 N ATOM 0 H ARG A 20 22.885 2.080 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 20 25.090 2.651 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.326 4.215 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 20 24.062 4.092 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.230 4.955 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.340 5.244 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.368 7.324 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.730 6.703 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 20 24.025 6.053 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.043 7.430 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.550 8.038 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.574 7.071 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.157 7.836 3.822 1.00 0.00 H new ATOM 288 N ILE A 21 25.878 2.053 1.294 1.00 0.00 N ATOM 289 CA ILE A 21 26.974 1.661 2.171 1.00 0.00 C ATOM 290 C ILE A 21 27.597 0.349 1.686 1.00 0.00 C ATOM 291 O ILE A 21 28.815 0.268 1.564 1.00 0.00 O ATOM 292 CB ILE A 21 26.516 1.581 3.643 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.969 2.914 4.189 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.655 1.083 4.547 1.00 0.00 C ATOM 295 CD1 ILE A 21 26.932 4.100 4.096 1.00 0.00 C ATOM 0 H ILE A 21 24.971 2.102 1.758 1.00 0.00 H new ATOM 0 HA ILE A 21 27.745 2.430 2.129 1.00 0.00 H new ATOM 0 HB ILE A 21 25.693 0.866 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 21 25.057 3.164 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.690 2.774 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 21 27.306 1.036 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.968 0.090 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.499 1.769 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 21 26.454 4.990 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 21 27.836 3.880 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 21 27.193 4.276 3.052 1.00 0.00 H new ATOM 307 N LYS A 22 26.782 -0.672 1.403 1.00 0.00 N ATOM 308 CA LYS A 22 27.285 -1.964 0.938 1.00 0.00 C ATOM 309 C LYS A 22 28.108 -1.814 -0.349 1.00 0.00 C ATOM 310 O LYS A 22 29.176 -2.406 -0.474 1.00 0.00 O ATOM 311 CB LYS A 22 26.125 -2.949 0.735 1.00 0.00 C ATOM 312 CG LYS A 22 25.421 -3.350 2.040 1.00 0.00 C ATOM 313 CD LYS A 22 26.263 -4.327 2.875 1.00 0.00 C ATOM 314 CE LYS A 22 25.543 -4.744 4.163 1.00 0.00 C ATOM 315 NZ LYS A 22 24.309 -5.503 3.891 1.00 0.00 N ATOM 0 H LYS A 22 25.767 -0.626 1.489 1.00 0.00 H new ATOM 0 HA LYS A 22 27.948 -2.363 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.394 -2.502 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.503 -3.847 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.214 -2.456 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.460 -3.808 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.487 -5.213 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.216 -3.862 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.214 -5.350 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.300 -3.855 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.938 -5.893 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.599 -4.872 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.518 -6.280 3.232 1.00 0.00 H new ATOM 329 N LEU A 23 27.612 -1.023 -1.303 1.00 0.00 N ATOM 330 CA LEU A 23 28.326 -0.713 -2.536 1.00 0.00 C ATOM 331 C LEU A 23 29.600 0.075 -2.229 1.00 0.00 C ATOM 332 O LEU A 23 30.626 -0.115 -2.879 1.00 0.00 O ATOM 333 CB LEU A 23 27.421 0.099 -3.473 1.00 0.00 C ATOM 334 CG LEU A 23 26.254 -0.695 -4.079 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.221 0.284 -4.647 1.00 0.00 C ATOM 336 CD2 LEU A 23 26.726 -1.633 -5.198 1.00 0.00 C ATOM 0 H LEU A 23 26.696 -0.578 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 23 28.602 -1.647 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.018 0.949 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.028 0.503 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 23 25.814 -1.304 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.390 -0.274 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.851 0.926 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 25.687 0.897 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.872 -2.177 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.191 -1.048 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.451 -2.341 -4.797 1.00 0.00 H new ATOM 348 N GLY A 24 29.520 0.976 -1.251 1.00 0.00 N ATOM 349 CA GLY A 24 30.634 1.786 -0.789 1.00 0.00 C ATOM 350 C GLY A 24 30.645 3.153 -1.466 1.00 0.00 C ATOM 351 O GLY A 24 31.710 3.733 -1.676 1.00 0.00 O ATOM 0 H GLY A 24 28.653 1.164 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.570 1.914 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.572 1.269 -0.994 1.00 0.00 H new ATOM 355 N PHE A 25 29.463 3.713 -1.755 1.00 0.00 N ATOM 356 CA PHE A 25 29.372 5.079 -2.264 1.00 0.00 C ATOM 357 C PHE A 25 29.514 6.041 -1.083 1.00 0.00 C ATOM 358 O PHE A 25 28.558 6.644 -0.591 1.00 0.00 O ATOM 359 CB PHE A 25 28.116 5.272 -3.107 1.00 0.00 C ATOM 360 CG PHE A 25 28.272 4.749 -4.520 1.00 0.00 C ATOM 361 CD1 PHE A 25 28.926 5.533 -5.485 1.00 0.00 C ATOM 362 CD2 PHE A 25 27.892 3.433 -4.838 1.00 0.00 C ATOM 363 CE1 PHE A 25 29.158 5.025 -6.774 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.092 2.933 -6.138 1.00 0.00 C ATOM 365 CZ PHE A 25 28.726 3.731 -7.106 1.00 0.00 C ATOM 0 H PHE A 25 28.565 3.242 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 25 30.186 5.298 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.280 4.764 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.867 6.333 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 25 29.252 6.532 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.445 2.804 -4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 25 29.668 5.629 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.759 1.937 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 25 28.881 3.349 -8.104 1.00 0.00 H new ATOM 413 N ASP A 29 29.171 9.572 -2.415 1.00 0.00 N ATOM 414 CA ASP A 29 29.736 9.507 -3.761 1.00 0.00 C ATOM 415 C ASP A 29 28.660 9.232 -4.823 1.00 0.00 C ATOM 416 O ASP A 29 28.895 9.461 -6.010 1.00 0.00 O ATOM 417 CB ASP A 29 30.904 8.517 -3.811 1.00 0.00 C ATOM 418 CG ASP A 29 31.600 8.543 -5.170 1.00 0.00 C ATOM 419 OD1 ASP A 29 32.156 9.613 -5.501 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.564 7.497 -5.852 1.00 0.00 O ATOM 0 HA ASP A 29 30.143 10.487 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.622 8.760 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.539 7.511 -3.607 1.00 0.00 H new ATOM 425 N VAL A 30 27.467 8.796 -4.390 1.00 0.00 N ATOM 426 CA VAL A 30 26.266 8.739 -5.213 1.00 0.00 C ATOM 427 C VAL A 30 26.167 10.014 -6.049 1.00 0.00 C ATOM 428 O VAL A 30 25.899 9.928 -7.240 1.00 0.00 O ATOM 429 CB VAL A 30 25.006 8.552 -4.337 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.724 8.545 -5.182 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.074 7.226 -3.583 1.00 0.00 C ATOM 0 H VAL A 30 27.315 8.468 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 30 26.329 7.879 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 30 24.979 9.391 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 22.860 8.411 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.634 9.492 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.767 7.727 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.180 7.109 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.135 6.404 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 30 25.956 7.216 -2.942 1.00 0.00 H new ATOM 441 N GLY A 31 26.433 11.176 -5.442 1.00 0.00 N ATOM 442 CA GLY A 31 26.459 12.463 -6.119 1.00 0.00 C ATOM 443 C GLY A 31 27.238 12.446 -7.435 1.00 0.00 C ATOM 444 O GLY A 31 26.769 12.976 -8.437 1.00 0.00 O ATOM 0 H GLY A 31 26.640 11.242 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.435 12.781 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.901 13.205 -5.454 1.00 0.00 H new ATOM 448 N LEU A 32 28.429 11.841 -7.443 1.00 0.00 N ATOM 449 CA LEU A 32 29.305 11.829 -8.606 1.00 0.00 C ATOM 450 C LEU A 32 28.708 10.949 -9.694 1.00 0.00 C ATOM 451 O LEU A 32 28.555 11.357 -10.845 1.00 0.00 O ATOM 452 CB LEU A 32 30.683 11.310 -8.181 1.00 0.00 C ATOM 453 CG LEU A 32 31.764 11.413 -9.269 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.086 12.870 -9.624 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.038 10.724 -8.766 1.00 0.00 C ATOM 0 H LEU A 32 28.810 11.345 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 32 29.410 12.837 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.013 11.867 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.587 10.267 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 32 31.386 10.928 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.855 12.895 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.186 13.362 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.447 13.390 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.813 10.790 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.382 11.215 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.826 9.676 -8.555 1.00 0.00 H new ATOM 467 N ALA A 33 28.381 9.717 -9.313 1.00 0.00 N ATOM 468 CA ALA A 33 27.797 8.747 -10.226 1.00 0.00 C ATOM 469 C ALA A 33 26.495 9.296 -10.829 1.00 0.00 C ATOM 470 O ALA A 33 26.308 9.271 -12.042 1.00 0.00 O ATOM 471 CB ALA A 33 27.612 7.421 -9.491 1.00 0.00 C ATOM 0 H ALA A 33 28.514 9.367 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 33 28.464 8.563 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.174 6.688 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.580 7.061 -9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.950 7.567 -8.638 1.00 0.00 H new ATOM 477 N MET A 34 25.610 9.833 -9.987 1.00 0.00 N ATOM 478 CA MET A 34 24.433 10.577 -10.418 1.00 0.00 C ATOM 479 C MET A 34 24.836 11.706 -11.360 1.00 0.00 C ATOM 480 O MET A 34 24.232 11.860 -12.415 1.00 0.00 O ATOM 481 CB MET A 34 23.702 11.159 -9.201 1.00 0.00 C ATOM 482 CG MET A 34 22.854 10.117 -8.467 1.00 0.00 C ATOM 483 SD MET A 34 21.483 9.369 -9.388 1.00 0.00 S ATOM 484 CE MET A 34 20.618 10.824 -10.001 1.00 0.00 C ATOM 0 H MET A 34 25.695 9.760 -8.973 1.00 0.00 H new ATOM 0 HA MET A 34 23.766 9.895 -10.945 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.433 11.579 -8.510 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.062 11.980 -9.525 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.515 9.316 -8.135 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.445 10.584 -7.571 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.762 10.513 -10.600 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.273 11.424 -9.159 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.295 11.418 -10.616 1.00 0.00 H new ATOM 494 N GLY A 35 25.858 12.476 -10.985 1.00 0.00 N ATOM 495 CA GLY A 35 26.510 13.474 -11.820 1.00 0.00 C ATOM 496 C GLY A 35 26.680 12.979 -13.250 1.00 0.00 C ATOM 497 O GLY A 35 26.243 13.635 -14.192 1.00 0.00 O ATOM 0 H GLY A 35 26.267 12.416 -10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.922 14.392 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.485 13.720 -11.400 1.00 0.00 H new ATOM 501 N LYS A 36 27.305 11.811 -13.401 1.00 0.00 N ATOM 502 CA LYS A 36 27.498 11.204 -14.712 1.00 0.00 C ATOM 503 C LYS A 36 26.166 10.775 -15.348 1.00 0.00 C ATOM 504 O LYS A 36 25.900 11.114 -16.499 1.00 0.00 O ATOM 505 CB LYS A 36 28.472 10.015 -14.629 1.00 0.00 C ATOM 506 CG LYS A 36 29.956 10.418 -14.658 1.00 0.00 C ATOM 507 CD LYS A 36 30.418 11.137 -13.385 1.00 0.00 C ATOM 508 CE LYS A 36 31.905 11.507 -13.443 1.00 0.00 C ATOM 509 NZ LYS A 36 32.773 10.316 -13.458 1.00 0.00 N ATOM 0 H LYS A 36 27.686 11.267 -12.627 1.00 0.00 H new ATOM 0 HA LYS A 36 27.936 11.964 -15.358 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.275 9.460 -13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.274 9.338 -15.460 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.564 9.525 -14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.132 11.066 -15.516 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.825 12.040 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.237 10.498 -12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.095 12.105 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.157 12.128 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.765 10.608 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.506 9.682 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.661 9.816 -14.363 1.00 0.00 H new ATOM 523 N LEU A 37 25.351 9.989 -14.638 1.00 0.00 N ATOM 524 CA LEU A 37 24.194 9.325 -15.239 1.00 0.00 C ATOM 525 C LEU A 37 22.985 10.237 -15.500 1.00 0.00 C ATOM 526 O LEU A 37 22.229 9.977 -16.433 1.00 0.00 O ATOM 527 CB LEU A 37 23.791 8.097 -14.407 1.00 0.00 C ATOM 528 CG LEU A 37 24.899 7.044 -14.233 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.299 5.792 -13.587 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.564 6.643 -15.555 1.00 0.00 C ATOM 0 H LEU A 37 25.473 9.798 -13.644 1.00 0.00 H new ATOM 0 HA LEU A 37 24.521 9.010 -16.230 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.470 8.433 -13.421 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.930 7.623 -14.878 1.00 0.00 H new ATOM 0 HG LEU A 37 25.669 7.492 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.077 5.040 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.881 6.050 -12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.511 5.394 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.336 5.898 -15.363 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.815 6.224 -16.227 1.00 0.00 H new ATOM 0 HD23 LEU A 37 26.015 7.521 -16.017 1.00 0.00 H new ATOM 542 N TYR A 38 22.764 11.261 -14.672 1.00 0.00 N ATOM 543 CA TYR A 38 21.613 12.163 -14.758 1.00 0.00 C ATOM 544 C TYR A 38 22.058 13.620 -14.586 1.00 0.00 C ATOM 545 O TYR A 38 21.757 14.471 -15.420 1.00 0.00 O ATOM 546 CB TYR A 38 20.567 11.832 -13.676 1.00 0.00 C ATOM 547 CG TYR A 38 19.975 10.431 -13.677 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.703 9.368 -13.109 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.626 10.228 -14.030 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.118 8.098 -12.974 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.026 8.970 -13.850 1.00 0.00 C ATOM 552 CZ TYR A 38 18.778 7.901 -13.341 1.00 0.00 C ATOM 553 OH TYR A 38 18.156 6.720 -13.085 1.00 0.00 O ATOM 0 H TYR A 38 23.396 11.491 -13.905 1.00 0.00 H new ATOM 0 HA TYR A 38 21.165 12.028 -15.743 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.025 12.003 -12.702 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.747 12.544 -13.772 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.717 9.530 -12.775 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.050 11.044 -14.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.699 7.274 -12.588 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.986 8.826 -14.104 1.00 0.00 H new ATOM 0 HH TYR A 38 17.910 6.678 -12.137 1.00 0.00 H new ATOM 563 N GLY A 39 22.719 13.915 -13.466 1.00 0.00 N ATOM 564 CA GLY A 39 23.059 15.255 -13.017 1.00 0.00 C ATOM 565 C GLY A 39 23.436 15.177 -11.538 1.00 0.00 C ATOM 566 O GLY A 39 23.048 14.229 -10.854 1.00 0.00 O ATOM 0 H GLY A 39 23.043 13.192 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.889 15.653 -13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.215 15.930 -13.160 1.00 0.00 H new ATOM 570 N ASN A 40 24.226 16.137 -11.043 1.00 0.00 N ATOM 571 CA ASN A 40 24.827 16.057 -9.714 1.00 0.00 C ATOM 572 C ASN A 40 23.804 16.419 -8.643 1.00 0.00 C ATOM 573 O ASN A 40 23.841 17.497 -8.050 1.00 0.00 O ATOM 574 CB ASN A 40 26.114 16.891 -9.611 1.00 0.00 C ATOM 575 CG ASN A 40 26.858 16.600 -8.302 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.885 15.930 -8.299 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.345 17.091 -7.179 1.00 0.00 N ATOM 0 H ASN A 40 24.464 16.987 -11.554 1.00 0.00 H new ATOM 0 HA ASN A 40 25.130 15.024 -9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.763 16.670 -10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 40 25.869 17.952 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.807 16.914 -6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 40 25.489 17.645 -7.209 1.00 0.00 H new ATOM 584 N ASP A 41 22.888 15.489 -8.409 1.00 0.00 N ATOM 585 CA ASP A 41 21.979 15.479 -7.277 1.00 0.00 C ATOM 586 C ASP A 41 22.435 14.335 -6.365 1.00 0.00 C ATOM 587 O ASP A 41 23.139 13.439 -6.821 1.00 0.00 O ATOM 588 CB ASP A 41 20.537 15.339 -7.788 1.00 0.00 C ATOM 589 CG ASP A 41 19.477 15.559 -6.710 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.861 15.951 -5.586 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.290 15.355 -7.038 1.00 0.00 O ATOM 0 H ASP A 41 22.755 14.690 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 41 21.996 16.404 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.376 16.055 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.407 14.344 -8.214 1.00 0.00 H new ATOM 596 N PHE A 42 22.048 14.354 -5.087 1.00 0.00 N ATOM 597 CA PHE A 42 22.329 13.294 -4.121 1.00 0.00 C ATOM 598 C PHE A 42 23.788 13.257 -3.651 1.00 0.00 C ATOM 599 O PHE A 42 24.299 12.193 -3.302 1.00 0.00 O ATOM 600 CB PHE A 42 21.836 11.923 -4.614 1.00 0.00 C ATOM 601 CG PHE A 42 20.377 11.901 -5.040 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.351 11.731 -4.090 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.037 12.163 -6.380 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.008 11.906 -4.457 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.691 12.316 -6.753 1.00 0.00 C ATOM 606 CZ PHE A 42 17.680 12.225 -5.784 1.00 0.00 C ATOM 0 H PHE A 42 21.517 15.128 -4.687 1.00 0.00 H new ATOM 0 HA PHE A 42 21.751 13.545 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.453 11.609 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 42 21.982 11.190 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.599 11.464 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 42 20.814 12.247 -7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.227 11.795 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 42 18.435 12.504 -7.785 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.650 12.400 -6.059 1.00 0.00 H new ATOM 616 N SER A 43 24.437 14.421 -3.543 1.00 0.00 N ATOM 617 CA SER A 43 25.727 14.552 -2.870 1.00 0.00 C ATOM 618 C SER A 43 25.494 14.483 -1.355 1.00 0.00 C ATOM 619 O SER A 43 25.677 15.471 -0.645 1.00 0.00 O ATOM 620 CB SER A 43 26.395 15.872 -3.276 1.00 0.00 C ATOM 621 OG SER A 43 26.615 15.901 -4.674 1.00 0.00 O ATOM 0 H SER A 43 24.079 15.298 -3.921 1.00 0.00 H new ATOM 0 HA SER A 43 26.396 13.742 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.765 16.712 -2.983 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.343 15.985 -2.749 1.00 0.00 H new ATOM 0 HG SER A 43 27.576 15.837 -4.855 1.00 0.00 H new ATOM 627 N GLN A 44 25.038 13.321 -0.879 1.00 0.00 N ATOM 628 CA GLN A 44 24.537 13.055 0.465 1.00 0.00 C ATOM 629 C GLN A 44 23.264 13.845 0.783 1.00 0.00 C ATOM 630 O GLN A 44 22.249 13.227 1.071 1.00 0.00 O ATOM 631 CB GLN A 44 25.618 13.190 1.552 1.00 0.00 C ATOM 632 CG GLN A 44 25.114 12.758 2.942 1.00 0.00 C ATOM 633 CD GLN A 44 24.427 11.391 2.948 1.00 0.00 C ATOM 634 OE1 GLN A 44 23.272 11.261 3.344 1.00 0.00 O ATOM 635 NE2 GLN A 44 25.116 10.353 2.494 1.00 0.00 N ATOM 0 H GLN A 44 25.009 12.487 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 44 24.250 12.004 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.482 12.584 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.956 14.225 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 44 25.956 12.735 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.416 13.508 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.074 10.480 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 44 24.687 9.428 2.470 1.00 0.00 H new ATOM 644 N THR A 45 23.297 15.178 0.729 1.00 0.00 N ATOM 645 CA THR A 45 22.195 16.081 1.069 1.00 0.00 C ATOM 646 C THR A 45 20.814 15.489 0.757 1.00 0.00 C ATOM 647 O THR A 45 20.009 15.218 1.648 1.00 0.00 O ATOM 648 CB THR A 45 22.391 17.401 0.307 1.00 0.00 C ATOM 649 OG1 THR A 45 22.592 17.122 -1.068 1.00 0.00 O ATOM 650 CG2 THR A 45 23.598 18.183 0.837 1.00 0.00 C ATOM 0 H THR A 45 24.133 15.682 0.433 1.00 0.00 H new ATOM 0 HA THR A 45 22.218 16.247 2.146 1.00 0.00 H new ATOM 0 HB THR A 45 21.498 18.009 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.716 17.962 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.706 19.111 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.448 18.413 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.500 17.582 0.722 1.00 0.00 H new ATOM 658 N THR A 46 20.535 15.291 -0.529 1.00 0.00 N ATOM 659 CA THR A 46 19.262 14.787 -1.014 1.00 0.00 C ATOM 660 C THR A 46 18.970 13.364 -0.519 1.00 0.00 C ATOM 661 O THR A 46 17.812 13.024 -0.300 1.00 0.00 O ATOM 662 CB THR A 46 19.226 14.932 -2.539 1.00 0.00 C ATOM 663 OG1 THR A 46 19.996 16.064 -2.905 1.00 0.00 O ATOM 664 CG2 THR A 46 17.802 15.114 -3.065 1.00 0.00 C ATOM 0 H THR A 46 21.204 15.482 -1.275 1.00 0.00 H new ATOM 0 HA THR A 46 18.449 15.383 -0.598 1.00 0.00 H new ATOM 0 HB THR A 46 19.630 14.019 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.823 16.288 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 46 17.825 15.213 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.200 14.247 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.365 16.012 -2.628 1.00 0.00 H new ATOM 672 N ILE A 47 19.998 12.537 -0.302 1.00 0.00 N ATOM 673 CA ILE A 47 19.852 11.208 0.289 1.00 0.00 C ATOM 674 C ILE A 47 19.410 11.360 1.751 1.00 0.00 C ATOM 675 O ILE A 47 18.406 10.772 2.153 1.00 0.00 O ATOM 676 CB ILE A 47 21.148 10.387 0.068 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.345 10.018 -1.401 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.288 9.133 0.931 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.306 9.059 -1.994 1.00 0.00 C ATOM 0 H ILE A 47 20.962 12.776 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 47 19.069 10.630 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 47 21.935 11.067 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.343 10.935 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.332 9.569 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.228 8.634 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.278 9.413 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.458 8.457 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.544 8.867 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.320 8.120 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.315 9.507 -1.924 1.00 0.00 H new ATOM 691 N SER A 48 20.083 12.209 2.532 1.00 0.00 N ATOM 692 CA SER A 48 19.662 12.529 3.889 1.00 0.00 C ATOM 693 C SER A 48 18.195 12.972 3.902 1.00 0.00 C ATOM 694 O SER A 48 17.373 12.420 4.631 1.00 0.00 O ATOM 695 CB SER A 48 20.565 13.621 4.481 1.00 0.00 C ATOM 696 OG SER A 48 21.896 13.485 4.026 1.00 0.00 O ATOM 0 H SER A 48 20.933 12.690 2.238 1.00 0.00 H new ATOM 0 HA SER A 48 19.754 11.635 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.182 14.603 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.542 13.565 5.569 1.00 0.00 H new ATOM 0 HG SER A 48 22.118 12.534 3.943 1.00 0.00 H new ATOM 702 N ARG A 49 17.871 13.967 3.073 1.00 0.00 N ATOM 703 CA ARG A 49 16.527 14.514 2.957 1.00 0.00 C ATOM 704 C ARG A 49 15.520 13.437 2.536 1.00 0.00 C ATOM 705 O ARG A 49 14.386 13.437 3.016 1.00 0.00 O ATOM 706 CB ARG A 49 16.535 15.700 1.984 1.00 0.00 C ATOM 707 CG ARG A 49 17.247 16.908 2.611 1.00 0.00 C ATOM 708 CD ARG A 49 17.308 18.097 1.648 1.00 0.00 C ATOM 709 NE ARG A 49 18.192 17.823 0.506 1.00 0.00 N ATOM 710 CZ ARG A 49 18.355 18.651 -0.537 1.00 0.00 C ATOM 711 NH1 ARG A 49 17.752 19.845 -0.536 1.00 0.00 N ATOM 712 NH2 ARG A 49 19.113 18.296 -1.582 1.00 0.00 N ATOM 0 H ARG A 49 18.548 14.418 2.457 1.00 0.00 H new ATOM 0 HA ARG A 49 16.207 14.874 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.036 15.415 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.512 15.970 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.726 17.204 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.258 16.623 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.305 18.325 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.663 18.979 2.180 1.00 0.00 H new ATOM 0 HE ARG A 49 18.715 16.947 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.171 20.122 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.873 20.478 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.575 17.387 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.229 18.935 -2.369 1.00 0.00 H new ATOM 726 N PHE A 50 15.919 12.523 1.649 1.00 0.00 N ATOM 727 CA PHE A 50 15.083 11.417 1.213 1.00 0.00 C ATOM 728 C PHE A 50 14.730 10.530 2.400 1.00 0.00 C ATOM 729 O PHE A 50 13.555 10.386 2.730 1.00 0.00 O ATOM 730 CB PHE A 50 15.811 10.608 0.135 1.00 0.00 C ATOM 731 CG PHE A 50 15.047 9.483 -0.534 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.661 9.569 -0.776 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.780 8.419 -1.084 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.039 8.665 -1.653 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.154 7.506 -1.942 1.00 0.00 C ATOM 736 CZ PHE A 50 13.798 7.664 -2.276 1.00 0.00 C ATOM 0 H PHE A 50 16.841 12.535 1.213 1.00 0.00 H new ATOM 0 HA PHE A 50 14.159 11.811 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.138 11.300 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.710 10.184 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.075 10.332 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.827 8.305 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.979 8.741 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.715 6.678 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.342 7.016 -3.010 1.00 0.00 H new ATOM 746 N GLU A 51 15.744 9.958 3.056 1.00 0.00 N ATOM 747 CA GLU A 51 15.515 9.101 4.220 1.00 0.00 C ATOM 748 C GLU A 51 14.720 9.834 5.306 1.00 0.00 C ATOM 749 O GLU A 51 13.819 9.254 5.907 1.00 0.00 O ATOM 750 CB GLU A 51 16.823 8.539 4.797 1.00 0.00 C ATOM 751 CG GLU A 51 17.387 7.368 3.981 1.00 0.00 C ATOM 752 CD GLU A 51 18.280 7.832 2.838 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.447 8.151 3.152 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.794 7.855 1.686 1.00 0.00 O ATOM 0 H GLU A 51 16.725 10.073 2.802 1.00 0.00 H new ATOM 0 HA GLU A 51 14.922 8.256 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.566 9.335 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.649 8.210 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.956 6.711 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.563 6.779 3.578 1.00 0.00 H new ATOM 761 N ALA A 52 15.039 11.108 5.554 1.00 0.00 N ATOM 762 CA ALA A 52 14.312 11.930 6.519 1.00 0.00 C ATOM 763 C ALA A 52 12.870 12.228 6.082 1.00 0.00 C ATOM 764 O ALA A 52 12.091 12.750 6.875 1.00 0.00 O ATOM 765 CB ALA A 52 15.080 13.235 6.748 1.00 0.00 C ATOM 0 H ALA A 52 15.807 11.595 5.092 1.00 0.00 H new ATOM 0 HA ALA A 52 14.242 11.365 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.542 13.852 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.074 13.009 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.172 13.773 5.805 1.00 0.00 H new ATOM 771 N LEU A 53 12.522 11.943 4.825 1.00 0.00 N ATOM 772 CA LEU A 53 11.246 12.273 4.211 1.00 0.00 C ATOM 773 C LEU A 53 10.959 13.775 4.319 1.00 0.00 C ATOM 774 O LEU A 53 9.863 14.206 4.667 1.00 0.00 O ATOM 775 CB LEU A 53 10.129 11.331 4.695 1.00 0.00 C ATOM 776 CG LEU A 53 9.220 10.864 3.541 1.00 0.00 C ATOM 777 CD1 LEU A 53 8.261 9.783 4.050 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.396 12.012 2.949 1.00 0.00 C ATOM 0 H LEU A 53 13.151 11.456 4.186 1.00 0.00 H new ATOM 0 HA LEU A 53 11.293 12.086 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.574 10.462 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.526 11.841 5.446 1.00 0.00 H new ATOM 0 HG LEU A 53 9.868 10.473 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.618 9.453 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.834 8.936 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.647 10.190 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.772 11.632 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.762 12.443 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.067 12.779 2.561 1.00 0.00 H new ATOM 790 N ASN A 54 11.979 14.573 3.988 1.00 0.00 N ATOM 791 CA ASN A 54 11.913 16.030 3.966 1.00 0.00 C ATOM 792 C ASN A 54 11.243 16.527 2.685 1.00 0.00 C ATOM 793 O ASN A 54 10.461 17.473 2.719 1.00 0.00 O ATOM 794 CB ASN A 54 13.329 16.599 4.107 1.00 0.00 C ATOM 795 CG ASN A 54 13.385 18.092 3.802 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.991 18.502 2.818 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.767 18.917 4.641 1.00 0.00 N ATOM 0 H ASN A 54 12.894 14.210 3.722 1.00 0.00 H new ATOM 0 HA ASN A 54 11.306 16.376 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.690 16.424 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 54 14.001 16.067 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.788 19.923 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.271 18.544 5.451 1.00 0.00 H new ATOM 804 N LEU A 55 11.573 15.898 1.554 1.00 0.00 N ATOM 805 CA LEU A 55 10.901 16.159 0.283 1.00 0.00 C ATOM 806 C LEU A 55 9.547 15.434 0.276 1.00 0.00 C ATOM 807 O LEU A 55 9.039 15.048 1.328 1.00 0.00 O ATOM 808 CB LEU A 55 11.803 15.751 -0.896 1.00 0.00 C ATOM 809 CG LEU A 55 13.233 16.311 -0.822 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.024 15.830 -2.042 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.252 17.843 -0.769 1.00 0.00 C ATOM 0 H LEU A 55 12.311 15.196 1.496 1.00 0.00 H new ATOM 0 HA LEU A 55 10.710 17.226 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.853 14.663 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.341 16.087 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 55 13.689 15.946 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.039 16.224 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.057 14.741 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.539 16.183 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.283 18.193 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.777 18.244 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.709 18.183 0.113 1.00 0.00 H new ATOM 823 N SER A 56 8.933 15.234 -0.893 1.00 0.00 N ATOM 824 CA SER A 56 7.665 14.520 -1.000 1.00 0.00 C ATOM 825 C SER A 56 7.546 13.919 -2.400 1.00 0.00 C ATOM 826 O SER A 56 8.380 14.217 -3.256 1.00 0.00 O ATOM 827 CB SER A 56 6.494 15.464 -0.688 1.00 0.00 C ATOM 828 OG SER A 56 6.751 16.265 0.447 1.00 0.00 O ATOM 0 H SER A 56 9.301 15.562 -1.786 1.00 0.00 H new ATOM 0 HA SER A 56 7.632 13.710 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.305 16.105 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.590 14.878 -0.522 1.00 0.00 H new ATOM 0 HG SER A 56 5.985 16.853 0.613 1.00 0.00 H new ATOM 834 N PHE A 57 6.502 13.111 -2.627 1.00 0.00 N ATOM 835 CA PHE A 57 6.150 12.408 -3.876 1.00 0.00 C ATOM 836 C PHE A 57 6.405 13.265 -5.105 1.00 0.00 C ATOM 837 O PHE A 57 6.922 12.758 -6.098 1.00 0.00 O ATOM 838 CB PHE A 57 4.692 11.901 -3.881 1.00 0.00 C ATOM 839 CG PHE A 57 3.929 12.220 -2.620 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.233 11.466 -1.474 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.356 13.498 -2.490 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.160 12.072 -0.213 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.079 14.010 -1.210 1.00 0.00 C ATOM 844 CZ PHE A 57 3.506 13.308 -0.067 1.00 0.00 C ATOM 0 H PHE A 57 5.827 12.914 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 57 6.807 11.539 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.169 12.339 -4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.694 10.821 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.520 10.429 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.130 14.083 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.605 11.591 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.540 14.940 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.332 13.717 0.917 1.00 0.00 H new ATOM 854 N LYS A 58 6.056 14.553 -5.010 1.00 0.00 N ATOM 855 CA LYS A 58 6.283 15.561 -6.037 1.00 0.00 C ATOM 856 C LYS A 58 7.652 15.394 -6.716 1.00 0.00 C ATOM 857 O LYS A 58 7.777 15.557 -7.927 1.00 0.00 O ATOM 858 CB LYS A 58 6.104 16.966 -5.433 1.00 0.00 C ATOM 859 CG LYS A 58 7.152 17.326 -4.368 1.00 0.00 C ATOM 860 CD LYS A 58 6.767 18.626 -3.648 1.00 0.00 C ATOM 861 CE LYS A 58 7.721 18.947 -2.488 1.00 0.00 C ATOM 862 NZ LYS A 58 9.107 19.148 -2.945 1.00 0.00 N ATOM 0 H LYS A 58 5.591 14.930 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 58 5.541 15.427 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.147 17.703 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.111 17.036 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.237 16.515 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.130 17.439 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.773 19.450 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.749 18.542 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.376 19.844 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.694 18.134 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.698 19.445 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.476 18.258 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.127 19.884 -3.680 1.00 0.00 H new ATOM 876 N ASN A 59 8.671 15.058 -5.918 1.00 0.00 N ATOM 877 CA ASN A 59 9.995 14.643 -6.360 1.00 0.00 C ATOM 878 C ASN A 59 10.147 13.132 -6.187 1.00 0.00 C ATOM 879 O ASN A 59 10.465 12.411 -7.131 1.00 0.00 O ATOM 880 CB ASN A 59 11.048 15.370 -5.520 1.00 0.00 C ATOM 881 CG ASN A 59 12.459 15.030 -5.990 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.193 14.331 -5.303 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.852 15.516 -7.163 1.00 0.00 N ATOM 0 H ASN A 59 8.585 15.070 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 59 10.128 14.892 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.890 16.446 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.935 15.094 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.788 15.309 -7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.218 16.096 -7.713 1.00 0.00 H new ATOM 890 N MET A 60 9.930 12.672 -4.952 1.00 0.00 N ATOM 891 CA MET A 60 10.203 11.318 -4.477 1.00 0.00 C ATOM 892 C MET A 60 9.698 10.226 -5.404 1.00 0.00 C ATOM 893 O MET A 60 10.365 9.214 -5.590 1.00 0.00 O ATOM 894 CB MET A 60 9.648 11.105 -3.064 1.00 0.00 C ATOM 895 CG MET A 60 10.500 11.858 -2.060 1.00 0.00 C ATOM 896 SD MET A 60 9.905 11.719 -0.362 1.00 0.00 S ATOM 897 CE MET A 60 11.359 12.319 0.515 1.00 0.00 C ATOM 0 H MET A 60 9.539 13.266 -4.221 1.00 0.00 H new ATOM 0 HA MET A 60 11.290 11.233 -4.460 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.616 11.452 -3.012 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.639 10.042 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.522 11.483 -2.110 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.532 12.911 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.738 11.535 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.130 12.595 -0.205 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.090 13.191 1.111 1.00 0.00 H new ATOM 907 N CYS A 61 8.519 10.421 -5.979 1.00 0.00 N ATOM 908 CA CYS A 61 7.923 9.403 -6.835 1.00 0.00 C ATOM 909 C CYS A 61 8.724 9.185 -8.121 1.00 0.00 C ATOM 910 O CYS A 61 8.666 8.105 -8.703 1.00 0.00 O ATOM 911 CB CYS A 61 6.467 9.752 -7.147 1.00 0.00 C ATOM 912 SG CYS A 61 5.676 8.337 -7.954 1.00 0.00 S ATOM 0 H CYS A 61 7.960 11.267 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 61 7.947 8.461 -6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.937 10.006 -6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.421 10.628 -7.794 1.00 0.00 H new ATOM 0 HG CYS A 61 6.574 7.639 -8.583 1.00 0.00 H new ATOM 917 N LYS A 62 9.477 10.193 -8.568 1.00 0.00 N ATOM 918 CA LYS A 62 10.445 10.046 -9.649 1.00 0.00 C ATOM 919 C LYS A 62 11.805 9.658 -9.062 1.00 0.00 C ATOM 920 O LYS A 62 12.509 8.814 -9.615 1.00 0.00 O ATOM 921 CB LYS A 62 10.524 11.343 -10.456 1.00 0.00 C ATOM 922 CG LYS A 62 9.193 11.576 -11.187 1.00 0.00 C ATOM 923 CD LYS A 62 9.193 12.888 -11.983 1.00 0.00 C ATOM 924 CE LYS A 62 8.568 14.049 -11.196 1.00 0.00 C ATOM 925 NZ LYS A 62 9.274 14.307 -9.932 1.00 0.00 N ATOM 0 H LYS A 62 9.429 11.138 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 62 10.131 9.254 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.739 12.182 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.341 11.287 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.000 10.743 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.380 11.593 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.217 13.146 -12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.643 12.746 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.582 14.950 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.523 13.823 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.828 15.109 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.224 13.462 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.270 14.533 -10.130 1.00 0.00 H new ATOM 939 N LEU A 63 12.169 10.267 -7.930 1.00 0.00 N ATOM 940 CA LEU A 63 13.445 10.030 -7.268 1.00 0.00 C ATOM 941 C LEU A 63 13.656 8.547 -6.954 1.00 0.00 C ATOM 942 O LEU A 63 14.736 8.018 -7.195 1.00 0.00 O ATOM 943 CB LEU A 63 13.639 11.008 -6.093 1.00 0.00 C ATOM 944 CG LEU A 63 13.897 10.491 -4.664 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.210 9.707 -4.554 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.008 11.710 -3.734 1.00 0.00 C ATOM 0 H LEU A 63 11.578 10.943 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 63 14.262 10.259 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.475 11.658 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.749 11.635 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 63 13.077 9.826 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.345 9.365 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.177 8.846 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.043 10.352 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.191 11.374 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.833 12.343 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.079 12.279 -3.767 1.00 0.00 H new ATOM 958 N LYS A 64 12.627 7.858 -6.457 1.00 0.00 N ATOM 959 CA LYS A 64 12.703 6.427 -6.181 1.00 0.00 C ATOM 960 C LYS A 64 13.161 5.620 -7.411 1.00 0.00 C ATOM 961 O LYS A 64 14.243 5.029 -7.369 1.00 0.00 O ATOM 962 CB LYS A 64 11.402 5.932 -5.527 1.00 0.00 C ATOM 963 CG LYS A 64 11.330 4.397 -5.478 1.00 0.00 C ATOM 964 CD LYS A 64 10.200 3.927 -4.560 1.00 0.00 C ATOM 965 CE LYS A 64 10.072 2.402 -4.643 1.00 0.00 C ATOM 966 NZ LYS A 64 9.044 1.899 -3.720 1.00 0.00 N ATOM 0 H LYS A 64 11.723 8.276 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 64 13.488 6.251 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.330 6.331 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.547 6.318 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.173 4.005 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.280 3.996 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.402 4.230 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.261 4.397 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.821 2.111 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.031 1.941 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.982 0.864 -3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.297 2.156 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.124 2.321 -3.961 1.00 0.00 H new ATOM 980 N PRO A 65 12.384 5.556 -8.508 1.00 0.00 N ATOM 981 CA PRO A 65 12.790 4.823 -9.694 1.00 0.00 C ATOM 982 C PRO A 65 14.112 5.350 -10.259 1.00 0.00 C ATOM 983 O PRO A 65 14.954 4.547 -10.642 1.00 0.00 O ATOM 984 CB PRO A 65 11.625 4.907 -10.686 1.00 0.00 C ATOM 985 CG PRO A 65 10.817 6.111 -10.210 1.00 0.00 C ATOM 986 CD PRO A 65 11.061 6.127 -8.700 1.00 0.00 C ATOM 0 HA PRO A 65 12.994 3.777 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.980 5.044 -11.707 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.026 3.996 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.155 7.034 -10.681 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.758 6.003 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.012 7.142 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.304 5.545 -8.175 1.00 0.00 H new ATOM 994 N LEU A 66 14.326 6.669 -10.287 1.00 0.00 N ATOM 995 CA LEU A 66 15.612 7.264 -10.654 1.00 0.00 C ATOM 996 C LEU A 66 16.768 6.606 -9.884 1.00 0.00 C ATOM 997 O LEU A 66 17.739 6.150 -10.495 1.00 0.00 O ATOM 998 CB LEU A 66 15.506 8.786 -10.445 1.00 0.00 C ATOM 999 CG LEU A 66 16.820 9.582 -10.457 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.629 10.899 -11.219 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.225 9.920 -9.017 1.00 0.00 C ATOM 0 H LEU A 66 13.608 7.356 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 66 15.843 7.082 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.857 9.191 -11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.010 8.964 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 66 17.589 8.979 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.566 11.457 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.330 10.686 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.855 11.492 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.157 10.485 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.442 10.518 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.364 8.998 -8.452 1.00 0.00 H new ATOM 1013 N LEU A 67 16.673 6.526 -8.554 1.00 0.00 N ATOM 1014 CA LEU A 67 17.715 5.926 -7.745 1.00 0.00 C ATOM 1015 C LEU A 67 17.799 4.421 -7.978 1.00 0.00 C ATOM 1016 O LEU A 67 18.900 3.887 -8.040 1.00 0.00 O ATOM 1017 CB LEU A 67 17.524 6.244 -6.259 1.00 0.00 C ATOM 1018 CG LEU A 67 17.920 7.670 -5.846 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.965 7.750 -4.322 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.284 8.149 -6.369 1.00 0.00 C ATOM 0 H LEU A 67 15.876 6.874 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 67 18.663 6.365 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.477 6.084 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.110 5.536 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 67 17.165 8.317 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.245 8.759 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.983 7.509 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.699 7.040 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.470 9.166 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.068 7.490 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.282 8.132 -7.459 1.00 0.00 H new ATOM 1032 N GLU A 68 16.674 3.713 -8.110 1.00 0.00 N ATOM 1033 CA GLU A 68 16.740 2.280 -8.380 1.00 0.00 C ATOM 1034 C GLU A 68 17.446 2.023 -9.721 1.00 0.00 C ATOM 1035 O GLU A 68 18.319 1.161 -9.813 1.00 0.00 O ATOM 1036 CB GLU A 68 15.341 1.647 -8.313 1.00 0.00 C ATOM 1037 CG GLU A 68 15.379 0.110 -8.400 1.00 0.00 C ATOM 1038 CD GLU A 68 16.242 -0.549 -7.319 1.00 0.00 C ATOM 1039 OE1 GLU A 68 15.739 -0.694 -6.182 1.00 0.00 O ATOM 1040 OE2 GLU A 68 17.396 -0.898 -7.644 1.00 0.00 O ATOM 0 H GLU A 68 15.732 4.098 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 68 17.336 1.796 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.857 1.942 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.731 2.038 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.362 -0.274 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.757 -0.180 -9.380 1.00 0.00 H new ATOM 1047 N LYS A 69 17.101 2.788 -10.762 1.00 0.00 N ATOM 1048 CA LYS A 69 17.749 2.675 -12.060 1.00 0.00 C ATOM 1049 C LYS A 69 19.236 3.003 -11.927 1.00 0.00 C ATOM 1050 O LYS A 69 20.070 2.238 -12.405 1.00 0.00 O ATOM 1051 CB LYS A 69 17.049 3.574 -13.084 1.00 0.00 C ATOM 1052 CG LYS A 69 15.687 2.992 -13.482 1.00 0.00 C ATOM 1053 CD LYS A 69 15.016 3.750 -14.638 1.00 0.00 C ATOM 1054 CE LYS A 69 14.688 5.216 -14.316 1.00 0.00 C ATOM 1055 NZ LYS A 69 15.808 6.126 -14.621 1.00 0.00 N ATOM 0 H LYS A 69 16.369 3.497 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 69 17.667 1.650 -12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.915 4.572 -12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.676 3.681 -13.969 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.815 1.948 -13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.026 3.007 -12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.671 3.718 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.096 3.234 -14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.810 5.522 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.430 5.304 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.435 7.061 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.418 6.218 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.362 5.741 -15.413 1.00 0.00 H new ATOM 1069 N TRP A 70 19.574 4.096 -11.234 1.00 0.00 N ATOM 1070 CA TRP A 70 20.962 4.411 -10.910 1.00 0.00 C ATOM 1071 C TRP A 70 21.648 3.198 -10.271 1.00 0.00 C ATOM 1072 O TRP A 70 22.764 2.847 -10.645 1.00 0.00 O ATOM 1073 CB TRP A 70 21.031 5.627 -9.978 1.00 0.00 C ATOM 1074 CG TRP A 70 22.391 5.928 -9.433 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.291 6.776 -9.971 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.043 5.344 -8.266 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.446 6.755 -9.223 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.368 5.859 -8.177 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.647 4.421 -7.277 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.262 5.450 -7.175 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.533 3.997 -6.274 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.836 4.514 -6.221 1.00 0.00 C ATOM 0 H TRP A 70 18.899 4.777 -10.887 1.00 0.00 H new ATOM 0 HA TRP A 70 21.489 4.657 -11.832 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.671 6.502 -10.519 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.349 5.466 -9.143 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.130 7.379 -10.853 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.263 7.333 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.640 4.031 -7.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.264 5.851 -7.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.211 3.271 -5.542 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.513 4.191 -5.444 1.00 0.00 H new ATOM 1093 N LEU A 71 20.985 2.562 -9.304 1.00 0.00 N ATOM 1094 CA LEU A 71 21.523 1.429 -8.564 1.00 0.00 C ATOM 1095 C LEU A 71 21.817 0.289 -9.534 1.00 0.00 C ATOM 1096 O LEU A 71 22.911 -0.267 -9.525 1.00 0.00 O ATOM 1097 CB LEU A 71 20.536 1.016 -7.459 1.00 0.00 C ATOM 1098 CG LEU A 71 21.210 0.476 -6.192 1.00 0.00 C ATOM 1099 CD1 LEU A 71 20.136 0.241 -5.131 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.961 -0.836 -6.444 1.00 0.00 C ATOM 0 H LEU A 71 20.044 2.827 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 71 22.459 1.701 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.923 1.877 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.863 0.255 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 71 21.941 1.213 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.600 -0.144 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.631 1.181 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.410 -0.483 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.420 -1.176 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.262 -1.592 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.735 -0.674 -7.194 1.00 0.00 H new ATOM 1112 N ASN A 72 20.852 -0.041 -10.396 1.00 0.00 N ATOM 1113 CA ASN A 72 21.042 -1.056 -11.422 1.00 0.00 C ATOM 1114 C ASN A 72 22.232 -0.693 -12.313 1.00 0.00 C ATOM 1115 O ASN A 72 23.077 -1.547 -12.578 1.00 0.00 O ATOM 1116 CB ASN A 72 19.764 -1.227 -12.252 1.00 0.00 C ATOM 1117 CG ASN A 72 19.735 -2.489 -13.122 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.657 -2.957 -13.469 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.873 -3.079 -13.492 1.00 0.00 N ATOM 0 H ASN A 72 19.926 0.387 -10.399 1.00 0.00 H new ATOM 0 HA ASN A 72 21.258 -2.008 -10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.908 -1.246 -11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.644 -0.355 -12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.847 -3.922 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 72 21.769 -2.687 -13.201 1.00 0.00 H new ATOM 1126 N ASP A 73 22.283 0.550 -12.799 1.00 0.00 N ATOM 1127 CA ASP A 73 23.345 1.018 -13.683 1.00 0.00 C ATOM 1128 C ASP A 73 24.699 0.838 -12.999 1.00 0.00 C ATOM 1129 O ASP A 73 25.624 0.270 -13.573 1.00 0.00 O ATOM 1130 CB ASP A 73 23.130 2.491 -14.067 1.00 0.00 C ATOM 1131 CG ASP A 73 21.832 2.751 -14.829 1.00 0.00 C ATOM 1132 OD1 ASP A 73 21.419 1.853 -15.596 1.00 0.00 O ATOM 1133 OD2 ASP A 73 21.284 3.861 -14.647 1.00 0.00 O ATOM 0 H ASP A 73 21.583 1.261 -12.587 1.00 0.00 H new ATOM 0 HA ASP A 73 23.324 0.426 -14.598 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.135 3.097 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.970 2.823 -14.677 1.00 0.00 H new ATOM 1138 N ALA A 74 24.800 1.285 -11.746 1.00 0.00 N ATOM 1139 CA ALA A 74 25.981 1.140 -10.910 1.00 0.00 C ATOM 1140 C ALA A 74 25.959 -0.194 -10.155 1.00 0.00 C ATOM 1141 O ALA A 74 26.443 -0.271 -9.025 1.00 0.00 O ATOM 1142 CB ALA A 74 26.046 2.331 -9.945 1.00 0.00 C ATOM 0 H ALA A 74 24.037 1.772 -11.276 1.00 0.00 H new ATOM 0 HA ALA A 74 26.875 1.133 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.927 2.237 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.106 3.258 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.151 2.345 -9.323 1.00 0.00 H new