USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 101 SER OG : rot -73:sc= 1.28 USER MOD Set 1.2: A 103 TYR OH : rot 110:sc= 0.941 USER MOD Set 2.1: A 38 GLN : amide:sc= 0.954 K(o=3,f=-3!) USER MOD Set 2.2: A 102 TYR OH : rot 72:sc= 2.01 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.5 K(o=1.5,f=-9.8!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00112 K(o=-0.0011,f=-0.89) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -116:sc= 1.11 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.219 K(o=0.22,f=-0.92) USER MOD Single : A 90 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= -0.132 K(o=-0.13,f=-1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 110:sc= 1.29 USER MOD Single : A 107 SER OG : rot -120:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.274 X(o=0.27,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 38 1.419 -1.960 3.868 1.00 0.00 N0 ATOM 2 CA GLN A 38 2.770 -1.603 4.283 1.00 0.00 C0 ATOM 3 C GLN A 38 2.944 -0.091 4.355 1.00 0.00 C0 ATOM 4 O GLN A 38 2.082 0.664 3.909 1.00 0.00 O0 ATOM 5 CB GLN A 38 3.803 -2.203 3.325 1.00 0.00 C0 ATOM 6 CG GLN A 38 3.771 -3.720 3.245 1.00 0.00 C0 ATOM 7 CD GLN A 38 4.136 -4.374 4.564 1.00 0.00 C0 ATOM 8 OE1 GLN A 38 5.201 -4.114 5.130 1.00 0.00 O0 ATOM 9 NE2 GLN A 38 3.253 -5.233 5.060 1.00 0.00 N0 ATOM 0 HA GLN A 38 2.929 -2.014 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.638 -1.794 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.798 -1.888 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.775 -4.045 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.462 -4.056 2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.384 -5.418 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.443 -5.707 5.943 1.00 0.00 H new ATOM 18 N ALA A 39 4.065 0.343 4.922 1.00 0.00 N0 ATOM 19 CA ALA A 39 4.379 1.765 5.005 1.00 0.00 C0 ATOM 20 C ALA A 39 4.713 2.338 3.634 1.00 0.00 C0 ATOM 21 O ALA A 39 5.288 1.652 2.788 1.00 0.00 O0 ATOM 22 CB ALA A 39 5.532 1.999 5.972 1.00 0.00 C0 ATOM 0 H ALA A 39 4.771 -0.269 5.331 1.00 0.00 H new ATOM 0 HA ALA A 39 3.495 2.282 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.754 3.065 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.255 1.639 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.414 1.461 5.624 1.00 0.00 H new ATOM 28 N PRO A 40 4.347 3.598 3.419 1.00 0.00 N0 ATOM 29 CA PRO A 40 4.632 4.273 2.160 1.00 0.00 C0 ATOM 30 C PRO A 40 6.125 4.265 1.856 1.00 0.00 C0 ATOM 31 O PRO A 40 6.952 4.437 2.751 1.00 0.00 O0 ATOM 32 CB PRO A 40 4.115 5.693 2.406 1.00 0.00 C0 ATOM 33 CG PRO A 40 3.055 5.524 3.439 1.00 0.00 C0 ATOM 34 CD PRO A 40 3.589 4.448 4.350 1.00 0.00 C0 ATOM 0 HA PRO A 40 4.166 3.794 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.910 6.351 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.715 6.134 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.877 6.452 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.106 5.230 2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.224 4.858 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.788 3.898 4.843 1.00 0.00 H new ATOM 42 N LYS A 41 6.464 4.063 0.587 1.00 0.00 N0 ATOM 43 CA LYS A 41 7.859 3.961 0.173 1.00 0.00 C0 ATOM 44 C LYS A 41 8.604 5.266 0.423 1.00 0.00 C0 ATOM 45 O LYS A 41 8.214 6.321 -0.078 1.00 0.00 O0 ATOM 46 CB LYS A 41 7.951 3.576 -1.304 1.00 0.00 C0 ATOM 47 CG LYS A 41 9.372 3.358 -1.809 1.00 0.00 C0 ATOM 48 CD LYS A 41 9.379 2.910 -3.263 1.00 0.00 C0 ATOM 49 CE LYS A 41 10.798 2.691 -3.769 1.00 0.00 C0 ATOM 50 NZ LYS A 41 10.820 2.254 -5.191 1.00 0.00 N0 ATOM 0 H LYS A 41 5.791 3.967 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 41 8.330 3.181 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.377 2.664 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.482 4.358 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.942 4.282 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.868 2.608 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.808 1.987 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.883 3.660 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.367 3.615 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.292 1.941 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.804 2.116 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.299 1.359 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.372 2.981 -5.785 1.00 0.00 H new ATOM 64 N GLY A 42 9.680 5.188 1.199 1.00 0.00 N0 ATOM 65 CA GLY A 42 10.540 6.341 1.433 1.00 0.00 C0 ATOM 66 C GLY A 42 10.044 7.168 2.614 1.00 0.00 C0 ATOM 67 O GLY A 42 10.578 8.237 2.903 1.00 0.00 O0 ATOM 0 H GLY A 42 9.977 4.337 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.559 6.005 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.571 6.962 0.538 1.00 0.00 H new ATOM 71 N SER A 43 9.018 6.665 3.291 1.00 0.00 N0 ATOM 72 CA SER A 43 8.428 7.370 4.423 1.00 0.00 C0 ATOM 73 C SER A 43 8.568 6.559 5.707 1.00 0.00 C0 ATOM 74 O SER A 43 8.783 5.348 5.668 1.00 0.00 O0 ATOM 75 CB SER A 43 6.965 7.660 4.154 1.00 0.00 C0 ATOM 76 OG SER A 43 6.816 8.497 3.042 1.00 0.00 O0 ATOM 0 H SER A 43 8.577 5.771 3.075 1.00 0.00 H new ATOM 0 HA SER A 43 8.963 8.311 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.430 6.725 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.517 8.129 5.030 1.00 0.00 H new ATOM 0 HG SER A 43 5.870 8.540 2.790 1.00 0.00 H new ATOM 82 N ALA A 44 8.441 7.237 6.843 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.496 6.572 8.141 1.00 0.00 C0 ATOM 84 C ALA A 44 7.101 6.243 8.652 1.00 0.00 C0 ATOM 85 O ALA A 44 6.148 6.981 8.402 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.239 7.439 9.147 1.00 0.00 C0 ATOM 0 H ALA A 44 8.299 8.246 6.892 1.00 0.00 H new ATOM 0 HA ALA A 44 9.037 5.634 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.272 6.931 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.255 7.616 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.722 8.392 9.257 1.00 0.00 H new ATOM 92 N PHE A 45 6.985 5.133 9.371 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.726 4.753 10.001 1.00 0.00 C0 ATOM 94 C PHE A 45 5.848 4.751 11.518 1.00 0.00 C0 ATOM 95 O PHE A 45 6.783 4.176 12.075 1.00 0.00 O0 ATOM 96 CB PHE A 45 5.281 3.372 9.516 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.106 2.816 10.269 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 2.821 2.934 9.764 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 4.285 2.171 11.485 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 1.739 2.424 10.455 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 3.205 1.659 12.179 1.00 0.00 C0 ATOM 102 CZ PHE A 45 1.931 1.785 11.663 1.00 0.00 C0 ATOM 0 H PHE A 45 7.750 4.478 9.533 1.00 0.00 H new ATOM 0 HA PHE A 45 4.977 5.492 9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.027 3.433 8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.118 2.679 9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.663 3.431 8.818 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.279 2.068 11.893 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.743 2.525 10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.358 1.160 13.125 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.086 1.384 12.204 1.00 0.00 H new ATOM 112 N VAL A 46 4.897 5.398 12.184 1.00 0.00 N0 ATOM 113 CA VAL A 46 4.848 5.403 13.642 1.00 0.00 C0 ATOM 114 C VAL A 46 3.473 4.986 14.147 1.00 0.00 C0 ATOM 115 O VAL A 46 2.451 5.490 13.683 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.191 6.801 14.185 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.032 6.840 15.697 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 6.607 7.182 13.781 1.00 0.00 C0 ATOM 0 H VAL A 46 4.148 5.927 11.736 1.00 0.00 H new ATOM 0 HA VAL A 46 5.584 4.684 14.001 1.00 0.00 H new ATOM 0 HB VAL A 46 4.500 7.526 13.755 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.279 7.837 16.063 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.002 6.601 15.961 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.701 6.110 16.152 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.842 8.173 14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.310 6.456 14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.685 7.190 12.694 1.00 0.00 H new ATOM 128 N ARG A 47 3.453 4.063 15.104 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.216 3.677 15.769 1.00 0.00 C0 ATOM 130 C ARG A 47 2.244 4.052 17.246 1.00 0.00 C0 ATOM 131 O ARG A 47 2.909 3.399 18.050 1.00 0.00 O0 ATOM 132 CB ARG A 47 1.982 2.178 15.634 1.00 0.00 C0 ATOM 133 CG ARG A 47 0.820 1.637 16.453 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.595 0.192 16.195 1.00 0.00 C0 ATOM 135 NE ARG A 47 -0.017 -0.038 14.895 1.00 0.00 N0 ATOM 136 CZ ARG A 47 -0.050 -1.228 14.266 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 0.492 -2.285 14.830 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -0.631 -1.335 13.085 1.00 0.00 N0 ATOM 0 H ARG A 47 4.281 3.569 15.436 1.00 0.00 H new ATOM 0 HA ARG A 47 1.402 4.217 15.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.807 1.945 14.584 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.891 1.655 15.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.019 1.791 17.514 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.085 2.195 16.214 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.546 -0.339 16.248 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.044 -0.221 16.975 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.451 0.758 14.428 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.937 -2.203 15.744 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.467 -3.187 14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.055 -0.516 12.649 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.656 -2.237 12.609 1.00 0.00 H new ATOM 152 N ALA A 48 1.517 5.106 17.596 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.485 5.594 18.969 1.00 0.00 C0 ATOM 154 C ALA A 48 0.552 4.752 19.832 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.459 4.241 19.350 1.00 0.00 O0 ATOM 156 CB ALA A 48 1.063 7.056 19.004 1.00 0.00 C0 ATOM 0 H ALA A 48 0.940 5.640 16.946 1.00 0.00 H new ATOM 0 HA ALA A 48 2.492 5.509 19.379 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.044 7.405 20.037 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.773 7.653 18.432 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.069 7.158 18.568 1.00 0.00 H new ATOM 162 N TYR A 49 0.898 4.613 21.107 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.065 3.876 22.050 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.011 4.595 23.392 1.00 0.00 C0 ATOM 165 O TYR A 49 1.003 5.038 23.930 1.00 0.00 O0 ATOM 166 CB TYR A 49 0.598 2.455 22.238 1.00 0.00 C0 ATOM 167 CG TYR A 49 -0.167 1.645 23.261 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -1.409 1.115 22.937 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 0.371 1.434 24.522 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -2.109 0.377 23.873 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -0.328 0.695 25.456 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -1.565 0.168 25.134 1.00 0.00 C0 ATOM 173 OH TYR A 49 -2.261 -0.567 26.065 1.00 0.00 O0 ATOM 0 H TYR A 49 1.750 5.001 21.511 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.942 3.821 21.637 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.566 1.936 21.280 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.645 2.507 22.538 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.827 1.279 21.955 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.336 1.848 24.773 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.076 -0.036 23.625 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.091 0.529 26.437 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.742 -0.620 26.894 1.00 0.00 H new ATOM 183 N ASN A 50 -1.225 4.706 23.928 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.439 5.392 25.195 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.550 4.402 26.347 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.570 3.732 26.503 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.676 6.268 25.124 1.00 0.00 C0 ATOM 188 CG ASN A 50 -2.866 7.105 26.358 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -2.440 6.721 27.454 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -3.496 8.243 26.202 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.073 4.329 23.503 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.573 6.027 25.382 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.604 6.921 24.254 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.554 5.639 24.978 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.653 8.853 27.004 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.830 8.519 25.278 1.00 0.00 H new ATOM 197 N ALA A 51 -0.497 4.316 27.151 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.422 3.321 28.213 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.863 3.906 29.548 1.00 0.00 C0 ATOM 200 O ALA A 51 -0.476 3.417 30.610 1.00 0.00 O0 ATOM 201 CB ALA A 51 0.992 2.766 28.320 1.00 0.00 C0 ATOM 0 H ALA A 51 0.319 4.925 27.087 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.102 2.508 27.960 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.032 2.024 29.117 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.272 2.299 27.376 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.685 3.577 28.544 1.00 0.00 H new ATOM 207 N GLY A 52 -1.677 4.954 29.490 1.00 0.00 N0 ATOM 208 CA GLY A 52 -2.175 5.606 30.695 1.00 0.00 C0 ATOM 209 C GLY A 52 -3.697 5.671 30.697 1.00 0.00 C0 ATOM 210 O GLY A 52 -4.358 4.981 29.922 1.00 0.00 O0 ATOM 0 H GLY A 52 -2.006 5.371 28.619 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.830 5.062 31.575 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.765 6.614 30.762 1.00 0.00 H new ATOM 214 N ASN A 53 -4.247 6.503 31.577 1.00 0.00 N0 ATOM 215 CA ASN A 53 -5.694 6.648 31.692 1.00 0.00 C0 ATOM 216 C ASN A 53 -6.140 8.052 31.304 1.00 0.00 C0 ATOM 217 O ASN A 53 -7.165 8.540 31.778 1.00 0.00 O0 ATOM 218 CB ASN A 53 -6.152 6.310 33.097 1.00 0.00 C0 ATOM 219 CG ASN A 53 -5.970 4.856 33.433 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -6.594 3.982 32.817 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -5.130 4.578 34.396 1.00 0.00 N0 ATOM 0 H ASN A 53 -3.712 7.087 32.220 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.158 5.947 30.998 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.595 6.916 33.812 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.204 6.575 33.205 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.967 3.608 34.667 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.637 5.331 34.876 1.00 0.00 H new ATOM 228 N SER A 54 -5.364 8.696 30.442 1.00 0.00 N0 ATOM 229 CA SER A 54 -5.670 10.052 29.999 1.00 0.00 C0 ATOM 230 C SER A 54 -5.236 10.271 28.555 1.00 0.00 C0 ATOM 231 O SER A 54 -4.102 9.965 28.185 1.00 0.00 O0 ATOM 232 CB SER A 54 -4.990 11.062 30.899 1.00 0.00 C0 ATOM 233 OG SER A 54 -5.246 12.370 30.470 1.00 0.00 O0 ATOM 0 H SER A 54 -4.516 8.301 30.034 1.00 0.00 H new ATOM 0 HA SER A 54 -6.750 10.188 30.056 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.341 10.936 31.923 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.915 10.882 30.906 1.00 0.00 H new ATOM 0 HG SER A 54 -4.798 13.004 31.068 1.00 0.00 H new ATOM 239 N GLU A 55 -6.142 10.803 27.743 1.00 0.00 N0 ATOM 240 CA GLU A 55 -5.853 11.071 26.339 1.00 0.00 C0 ATOM 241 C GLU A 55 -4.689 12.043 26.194 1.00 0.00 C0 ATOM 242 O GLU A 55 -4.659 13.091 26.837 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.091 11.632 25.636 1.00 0.00 C0 ATOM 244 CG GLU A 55 -6.928 11.825 24.135 1.00 0.00 C0 ATOM 245 CD GLU A 55 -8.184 12.314 23.468 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -9.143 12.562 24.158 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -8.184 12.439 22.267 1.00 0.00 O0 ATOM 0 H GLU A 55 -7.086 11.058 28.034 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.574 10.128 25.870 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.931 10.961 25.815 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.347 12.590 26.088 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.124 12.537 23.951 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.627 10.880 23.683 1.00 0.00 H new ATOM 254 N LEU A 56 -3.734 11.688 25.341 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.505 12.463 25.203 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.386 13.063 23.808 1.00 0.00 C0 ATOM 257 O LEU A 56 -2.833 12.469 22.826 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.285 11.579 25.492 1.00 0.00 C0 ATOM 259 CG LEU A 56 -1.229 10.963 26.897 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.042 10.014 26.989 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -1.126 12.072 27.933 1.00 0.00 C0 ATOM 0 H LEU A 56 -3.787 10.869 24.735 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.541 13.278 25.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.262 10.772 24.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.384 12.173 25.339 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.138 10.394 27.092 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.002 9.577 27.987 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.152 9.221 26.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.879 10.564 26.797 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.086 11.635 28.931 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.221 12.653 27.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.997 12.723 27.857 1.00 0.00 H new ATOM 273 N ASP A 57 -1.781 14.241 23.728 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.613 14.931 22.453 1.00 0.00 C0 ATOM 275 C ASP A 57 -0.310 14.527 21.775 1.00 0.00 C0 ATOM 276 O ASP A 57 0.777 14.862 22.246 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.642 16.447 22.653 1.00 0.00 C0 ATOM 278 CG ASP A 57 -1.506 17.221 21.349 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -1.115 16.633 20.369 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -1.798 18.394 21.344 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.398 14.740 24.531 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.443 14.640 21.809 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.577 16.726 23.139 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.834 16.735 23.326 1.00 0.00 H new ATOM 285 N VAL A 58 -0.424 13.803 20.666 1.00 0.00 N0 ATOM 286 CA VAL A 58 0.744 13.257 19.983 1.00 0.00 C0 ATOM 287 C VAL A 58 1.190 14.166 18.844 1.00 0.00 C0 ATOM 288 O VAL A 58 0.372 14.633 18.054 1.00 0.00 O0 ATOM 289 CB VAL A 58 0.429 11.855 19.427 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 1.622 11.310 18.656 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 0.047 10.920 20.563 1.00 0.00 C0 ATOM 0 H VAL A 58 -1.314 13.581 20.221 1.00 0.00 H new ATOM 0 HA VAL A 58 1.553 13.188 20.710 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.414 11.927 18.740 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.384 10.319 18.270 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.854 11.977 17.826 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.484 11.243 19.320 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.174 9.931 20.162 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.874 10.848 21.269 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.834 11.309 21.074 1.00 0.00 H new ATOM 301 N SER A 59 2.493 14.410 18.767 1.00 0.00 N0 ATOM 302 CA SER A 59 3.070 15.143 17.646 1.00 0.00 C0 ATOM 303 C SER A 59 4.548 14.816 17.475 1.00 0.00 C0 ATOM 304 O SER A 59 5.165 14.213 18.353 1.00 0.00 O0 ATOM 305 CB SER A 59 2.892 16.635 17.852 1.00 0.00 C0 ATOM 306 OG SER A 59 3.684 17.093 18.914 1.00 0.00 O0 ATOM 0 H SER A 59 3.171 14.111 19.468 1.00 0.00 H new ATOM 0 HA SER A 59 2.547 14.838 16.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.159 17.166 16.939 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.844 16.855 18.054 1.00 0.00 H new ATOM 0 HG SER A 59 3.554 18.058 19.027 1.00 0.00 H new ATOM 312 N VAL A 60 5.110 15.218 16.341 1.00 0.00 N0 ATOM 313 CA VAL A 60 6.525 14.996 16.068 1.00 0.00 C0 ATOM 314 C VAL A 60 7.096 16.103 15.190 1.00 0.00 C0 ATOM 315 O VAL A 60 6.524 16.444 14.154 1.00 0.00 O0 ATOM 316 CB VAL A 60 6.729 13.637 15.373 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 5.998 13.607 14.038 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 8.215 13.370 15.181 1.00 0.00 C0 ATOM 0 H VAL A 60 4.607 15.700 15.595 1.00 0.00 H new ATOM 0 HA VAL A 60 7.051 15.000 17.023 1.00 0.00 H new ATOM 0 HB VAL A 60 6.313 12.851 16.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.153 12.640 13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.932 13.764 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.385 14.396 13.393 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.351 12.407 14.689 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.649 14.157 14.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.710 13.354 16.152 1.00 0.00 H new ATOM 328 N GLY A 61 8.227 16.660 15.608 1.00 0.00 N0 ATOM 329 CA GLY A 61 8.877 17.729 14.860 1.00 0.00 C0 ATOM 330 C GLY A 61 8.007 18.977 14.812 1.00 0.00 C0 ATOM 331 O GLY A 61 7.754 19.610 15.838 1.00 0.00 O0 ATOM 0 H GLY A 61 8.713 16.388 16.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.835 17.968 15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.087 17.390 13.846 1.00 0.00 H new ATOM 335 N SER A 62 7.549 19.327 13.616 1.00 0.00 N0 ATOM 336 CA SER A 62 6.610 20.430 13.446 1.00 0.00 C0 ATOM 337 C SER A 62 5.259 19.935 12.950 1.00 0.00 C0 ATOM 338 O SER A 62 4.390 20.728 12.588 1.00 0.00 O0 ATOM 339 CB SER A 62 7.172 21.450 12.476 1.00 0.00 C0 ATOM 340 OG SER A 62 7.372 20.882 11.210 1.00 0.00 O0 ATOM 0 H SER A 62 7.813 18.862 12.747 1.00 0.00 H new ATOM 0 HA SER A 62 6.465 20.898 14.419 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.489 22.295 12.395 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.116 21.838 12.858 1.00 0.00 H new ATOM 0 HG SER A 62 7.733 21.559 10.601 1.00 0.00 H new ATOM 346 N THR A 63 5.087 18.617 12.935 1.00 0.00 N0 ATOM 347 CA THR A 63 3.858 18.009 12.438 1.00 0.00 C0 ATOM 348 C THR A 63 2.935 17.615 13.586 1.00 0.00 C0 ATOM 349 O THR A 63 3.292 16.792 14.425 1.00 0.00 O0 ATOM 350 CB THR A 63 4.162 16.772 11.571 1.00 0.00 C0 ATOM 351 OG1 THR A 63 4.930 17.166 10.427 1.00 0.00 O0 ATOM 352 CG2 THR A 63 2.871 16.116 11.108 1.00 0.00 C0 ATOM 0 H THR A 63 5.785 17.949 13.262 1.00 0.00 H new ATOM 0 HA THR A 63 3.355 18.755 11.823 1.00 0.00 H new ATOM 0 HB THR A 63 4.727 16.057 12.169 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.125 16.379 9.877 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.105 15.244 10.497 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.289 15.805 11.976 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.292 16.827 10.519 1.00 0.00 H new ATOM 360 N SER A 64 1.749 18.212 13.613 1.00 0.00 N0 ATOM 361 CA SER A 64 0.732 17.846 14.592 1.00 0.00 C0 ATOM 362 C SER A 64 0.025 16.557 14.197 1.00 0.00 C0 ATOM 363 O SER A 64 -0.531 16.450 13.104 1.00 0.00 O0 ATOM 364 CB SER A 64 -0.280 18.965 14.734 1.00 0.00 C0 ATOM 365 OG SER A 64 -1.332 18.587 15.579 1.00 0.00 O0 ATOM 0 H SER A 64 1.468 18.951 12.969 1.00 0.00 H new ATOM 0 HA SER A 64 1.229 17.683 15.548 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.209 19.854 15.132 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.674 19.230 13.753 1.00 0.00 H new ATOM 0 HG SER A 64 -1.971 19.326 15.656 1.00 0.00 H new ATOM 371 N LEU A 65 0.047 15.577 15.095 1.00 0.00 N0 ATOM 372 CA LEU A 65 -0.559 14.277 14.828 1.00 0.00 C0 ATOM 373 C LEU A 65 -1.857 14.102 15.604 1.00 0.00 C0 ATOM 374 O LEU A 65 -2.215 14.943 16.428 1.00 0.00 O0 ATOM 375 CB LEU A 65 0.419 13.153 15.193 1.00 0.00 C0 ATOM 376 CG LEU A 65 1.766 13.178 14.460 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 2.660 12.069 15.000 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 1.535 13.014 12.966 1.00 0.00 C0 ATOM 0 H LEU A 65 0.479 15.659 16.016 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.788 14.227 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.609 13.196 16.265 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.065 12.197 14.993 1.00 0.00 H new ATOM 0 HG LEU A 65 2.263 14.133 14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.617 12.087 14.479 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.825 12.221 16.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.179 11.104 14.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.493 13.032 12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.037 12.063 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.910 13.829 12.603 1.00 0.00 H new ATOM 390 N ASN A 66 -2.559 13.009 15.333 1.00 0.00 N0 ATOM 391 CA ASN A 66 -3.846 12.746 15.966 1.00 0.00 C0 ATOM 392 C ASN A 66 -3.671 12.345 17.425 1.00 0.00 C0 ATOM 393 O ASN A 66 -2.702 11.673 17.781 1.00 0.00 O0 ATOM 394 CB ASN A 66 -4.609 11.678 15.208 1.00 0.00 C0 ATOM 395 CG ASN A 66 -5.012 12.125 13.827 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -5.309 13.304 13.608 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -5.027 11.206 12.899 1.00 0.00 N0 ATOM 0 H ASN A 66 -2.258 12.288 14.677 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.425 13.669 15.938 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.993 10.782 15.131 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.501 11.404 15.772 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.292 11.449 11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.773 10.245 13.129 1.00 0.00 H new ATOM 404 N ASP A 67 -4.611 12.758 18.266 1.00 0.00 N0 ATOM 405 CA ASP A 67 -4.589 12.400 19.679 1.00 0.00 C0 ATOM 406 C ASP A 67 -4.910 10.925 19.879 1.00 0.00 C0 ATOM 407 O ASP A 67 -5.633 10.326 19.086 1.00 0.00 O0 ATOM 408 CB ASP A 67 -5.585 13.257 20.465 1.00 0.00 C0 ATOM 409 CG ASP A 67 -5.202 14.729 20.501 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -4.103 15.047 20.113 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -6.013 15.524 20.917 1.00 0.00 O0 ATOM 0 H ASP A 67 -5.401 13.343 17.993 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.582 12.588 20.052 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.575 13.155 20.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.655 12.880 21.485 1.00 0.00 H new ATOM 416 N VAL A 68 -4.363 10.345 20.942 1.00 0.00 N0 ATOM 417 CA VAL A 68 -4.554 8.927 21.222 1.00 0.00 C0 ATOM 418 C VAL A 68 -5.281 8.722 22.546 1.00 0.00 C0 ATOM 419 O VAL A 68 -4.831 9.189 23.592 1.00 0.00 O0 ATOM 420 CB VAL A 68 -3.195 8.205 21.269 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -3.387 6.731 21.593 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -2.472 8.375 19.942 1.00 0.00 C0 ATOM 0 H VAL A 68 -3.784 10.835 21.624 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.163 8.508 20.420 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.586 8.648 22.057 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.417 6.236 21.622 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.874 6.632 22.563 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.008 6.268 20.826 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.511 7.862 19.983 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.077 7.950 19.141 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.309 9.435 19.750 1.00 0.00 H new ATOM 432 N ALA A 69 -6.406 8.016 22.492 1.00 0.00 N0 ATOM 433 CA ALA A 69 -7.217 7.779 23.680 1.00 0.00 C0 ATOM 434 C ALA A 69 -6.550 6.774 24.611 1.00 0.00 C0 ATOM 435 O ALA A 69 -5.683 6.006 24.194 1.00 0.00 O0 ATOM 436 CB ALA A 69 -8.605 7.294 23.287 1.00 0.00 C0 ATOM 0 H ALA A 69 -6.776 7.598 21.638 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.312 8.724 24.215 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.198 7.122 24.185 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.093 8.048 22.669 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.520 6.364 22.725 1.00 0.00 H new ATOM 442 N PRO A 70 -6.960 6.784 25.875 1.00 0.00 N0 ATOM 443 CA PRO A 70 -6.405 5.872 26.868 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.477 4.426 26.391 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.546 3.936 26.026 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.296 6.109 28.090 1.00 0.00 C0 ATOM 447 CG PRO A 70 -7.730 7.529 27.958 1.00 0.00 C0 ATOM 448 CD PRO A 70 -7.950 7.715 26.481 1.00 0.00 C0 ATOM 0 HA PRO A 70 -5.349 6.048 27.073 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.149 5.431 28.098 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.750 5.944 29.019 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.642 7.720 28.523 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.971 8.214 28.336 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.970 7.464 26.190 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.775 8.746 26.174 1.00 0.00 H new ATOM 456 N LEU A 71 -5.334 3.752 26.394 1.00 0.00 N0 ATOM 457 CA LEU A 71 -5.276 2.340 26.024 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.645 2.141 24.559 1.00 0.00 C0 ATOM 459 O LEU A 71 -6.044 1.051 24.154 1.00 0.00 O0 ATOM 460 CB LEU A 71 -6.220 1.523 26.911 1.00 0.00 C0 ATOM 461 CG LEU A 71 -6.006 1.666 28.422 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -7.013 0.795 29.164 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.578 1.267 28.772 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.434 4.158 26.648 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.252 1.995 26.171 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.246 1.811 26.680 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.117 0.471 26.646 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.159 2.702 28.723 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.860 0.897 30.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.025 1.111 28.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.875 -0.247 28.875 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.425 1.368 29.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.407 0.232 28.477 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.879 1.915 28.243 1.00 0.00 H new ATOM 475 N GLY A 72 -5.507 3.201 23.770 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.741 3.123 22.334 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.447 3.311 21.553 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.364 3.363 22.134 1.00 0.00 O0 ATOM 0 H GLY A 72 -5.234 4.126 24.102 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.181 2.157 22.087 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.461 3.886 22.038 1.00 0.00 H new ATOM 482 N SER A 73 -4.568 3.409 20.234 1.00 0.00 N0 ATOM 483 CA SER A 73 -3.404 3.583 19.370 1.00 0.00 C0 ATOM 484 C SER A 73 -3.774 4.322 18.091 1.00 0.00 C0 ATOM 485 O SER A 73 -4.949 4.438 17.747 1.00 0.00 O0 ATOM 486 CB SER A 73 -2.806 2.232 19.027 1.00 0.00 C0 ATOM 487 OG SER A 73 -3.679 1.481 18.229 1.00 0.00 O0 ATOM 0 H SER A 73 -5.459 3.371 19.739 1.00 0.00 H new ATOM 0 HA SER A 73 -2.669 4.180 19.910 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.860 2.372 18.504 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.585 1.685 19.944 1.00 0.00 H new ATOM 0 HG SER A 73 -3.269 0.616 18.021 1.00 0.00 H new ATOM 493 N SER A 74 -2.761 4.822 17.388 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.976 5.540 16.140 1.00 0.00 C0 ATOM 495 C SER A 74 -1.800 5.358 15.190 1.00 0.00 C0 ATOM 496 O SER A 74 -0.653 5.637 15.546 1.00 0.00 O0 ATOM 497 CB SER A 74 -3.191 7.016 16.415 1.00 0.00 C0 ATOM 498 OG SER A 74 -3.396 7.725 15.224 1.00 0.00 O0 ATOM 0 H SER A 74 -1.782 4.742 17.664 1.00 0.00 H new ATOM 0 HA SER A 74 -3.866 5.128 15.666 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.051 7.145 17.072 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.326 7.422 16.939 1.00 0.00 H new ATOM 0 HG SER A 74 -2.662 8.361 15.091 1.00 0.00 H new ATOM 504 N ASP A 75 -2.086 4.891 13.981 1.00 0.00 N0 ATOM 505 CA ASP A 75 -1.059 4.707 12.964 1.00 0.00 C0 ATOM 506 C ASP A 75 -0.776 6.007 12.221 1.00 0.00 C0 ATOM 507 O ASP A 75 -1.697 6.749 11.877 1.00 0.00 O0 ATOM 508 CB ASP A 75 -1.477 3.624 11.965 1.00 0.00 C0 ATOM 509 CG ASP A 75 -1.501 2.231 12.577 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 -1.089 2.091 13.705 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -1.934 1.320 11.914 1.00 0.00 O0 ATOM 0 H ASP A 75 -3.026 4.632 13.680 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.147 4.394 13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.466 3.860 11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.789 3.632 11.119 1.00 0.00 H new ATOM 516 N PHE A 76 0.501 6.279 11.980 1.00 0.00 N0 ATOM 517 CA PHE A 76 0.908 7.498 11.291 1.00 0.00 C0 ATOM 518 C PHE A 76 1.815 7.186 10.109 1.00 0.00 C0 ATOM 519 O PHE A 76 2.901 6.629 10.276 1.00 0.00 O0 ATOM 520 CB PHE A 76 1.628 8.443 12.255 1.00 0.00 C0 ATOM 521 CG PHE A 76 0.800 8.838 13.446 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 1.199 8.498 14.731 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 -0.377 9.553 13.284 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 0.441 8.862 15.826 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 -1.138 9.917 14.379 1.00 0.00 C0 ATOM 526 CZ PHE A 76 -0.728 9.571 15.652 1.00 0.00 C0 ATOM 0 H PHE A 76 1.274 5.671 12.252 1.00 0.00 H new ATOM 0 HA PHE A 76 0.006 7.983 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.544 7.964 12.603 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.924 9.342 11.715 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.113 7.942 14.876 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.703 9.828 12.292 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.764 8.591 16.820 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.054 10.472 14.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.322 9.855 16.508 1.00 0.00 H new ATOM 536 N LYS A 77 1.363 7.546 8.911 1.00 0.00 N0 ATOM 537 CA LYS A 77 2.113 7.263 7.693 1.00 0.00 C0 ATOM 538 C LYS A 77 2.609 8.547 7.041 1.00 0.00 C0 ATOM 539 O LYS A 77 2.193 9.646 7.413 1.00 0.00 O0 ATOM 540 CB LYS A 77 1.252 6.472 6.708 1.00 0.00 C0 ATOM 541 CG LYS A 77 0.869 5.076 7.187 1.00 0.00 C0 ATOM 542 CD LYS A 77 -0.018 4.367 6.173 1.00 0.00 C0 ATOM 543 CE LYS A 77 -0.412 2.981 6.658 1.00 0.00 C0 ATOM 544 NZ LYS A 77 -1.326 2.298 5.702 1.00 0.00 N0 ATOM 0 H LYS A 77 0.481 8.034 8.759 1.00 0.00 H new ATOM 0 HA LYS A 77 2.981 6.663 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.342 7.036 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.789 6.384 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.771 4.488 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.348 5.147 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.915 4.960 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.507 4.286 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.484 2.377 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.898 3.061 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.571 1.356 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.193 2.861 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.854 2.198 4.781 1.00 0.00 H new ATOM 558 N PHE A 78 3.499 8.402 6.065 1.00 0.00 N0 ATOM 559 CA PHE A 78 3.971 9.542 5.282 1.00 0.00 C0 ATOM 560 C PHE A 78 4.725 10.534 6.156 1.00 0.00 C0 ATOM 561 O PHE A 78 4.696 11.740 5.907 1.00 0.00 O0 ATOM 562 CB PHE A 78 2.793 10.244 4.602 1.00 0.00 C0 ATOM 563 CG PHE A 78 2.010 9.357 3.679 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 0.794 8.818 4.074 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 2.487 9.055 2.410 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 0.072 8.002 3.224 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 1.767 8.239 1.559 1.00 0.00 C0 ATOM 568 CZ PHE A 78 0.558 7.712 1.967 1.00 0.00 C0 ATOM 0 H PHE A 78 3.909 7.507 5.796 1.00 0.00 H new ATOM 0 HA PHE A 78 4.654 9.164 4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.124 10.636 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.168 11.099 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.407 9.039 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.432 9.463 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.874 7.591 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.150 8.013 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.006 7.074 1.303 1.00 0.00 H new ATOM 578 N LEU A 79 5.399 10.021 7.180 1.00 0.00 N0 ATOM 579 CA LEU A 79 6.167 10.865 8.088 1.00 0.00 C0 ATOM 580 C LEU A 79 7.574 11.111 7.557 1.00 0.00 C0 ATOM 581 O LEU A 79 8.306 10.171 7.251 1.00 0.00 O0 ATOM 582 CB LEU A 79 6.245 10.213 9.475 1.00 0.00 C0 ATOM 583 CG LEU A 79 4.911 10.055 10.212 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 5.140 9.331 11.532 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 4.289 11.425 10.441 1.00 0.00 C0 ATOM 0 H LEU A 79 5.429 9.026 7.402 1.00 0.00 H new ATOM 0 HA LEU A 79 5.657 11.825 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.698 9.228 9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.915 10.806 10.098 1.00 0.00 H new ATOM 0 HG LEU A 79 4.223 9.462 9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.190 9.219 12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.565 8.346 11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.828 9.908 12.149 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.340 11.311 10.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.964 12.035 11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.117 11.911 9.481 1.00 0.00 H new ATOM 597 N PRO A 80 7.945 12.383 7.449 1.00 0.00 N0 ATOM 598 CA PRO A 80 9.266 12.755 6.959 1.00 0.00 C0 ATOM 599 C PRO A 80 10.365 12.095 7.781 1.00 0.00 C0 ATOM 600 O PRO A 80 10.505 12.362 8.975 1.00 0.00 O0 ATOM 601 CB PRO A 80 9.278 14.278 7.118 1.00 0.00 C0 ATOM 602 CG PRO A 80 7.843 14.668 7.008 1.00 0.00 C0 ATOM 603 CD PRO A 80 7.099 13.567 7.717 1.00 0.00 C0 ATOM 0 HA PRO A 80 9.451 12.435 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.699 14.575 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.881 14.755 6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.658 15.636 7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.533 14.750 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.004 13.764 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.090 13.442 7.325 1.00 0.00 H new ATOM 611 N PRO A 81 11.143 11.230 7.137 1.00 0.00 N0 ATOM 612 CA PRO A 81 12.294 10.607 7.781 1.00 0.00 C0 ATOM 613 C PRO A 81 13.299 11.654 8.244 1.00 0.00 C0 ATOM 614 O PRO A 81 13.451 12.702 7.618 1.00 0.00 O0 ATOM 615 CB PRO A 81 12.869 9.720 6.675 1.00 0.00 C0 ATOM 616 CG PRO A 81 11.719 9.492 5.753 1.00 0.00 C0 ATOM 617 CD PRO A 81 10.970 10.799 5.759 1.00 0.00 C0 ATOM 0 HA PRO A 81 12.036 10.048 8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.698 10.209 6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.250 8.781 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.059 9.233 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.090 8.672 6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.388 11.514 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.919 10.670 5.499 1.00 0.00 H new ATOM 625 N GLY A 82 13.985 11.362 9.345 1.00 0.00 N0 ATOM 626 CA GLY A 82 15.010 12.256 9.867 1.00 0.00 C0 ATOM 627 C GLY A 82 15.003 12.272 11.391 1.00 0.00 C0 ATOM 628 O GLY A 82 14.451 11.375 12.027 1.00 0.00 O0 ATOM 0 H GLY A 82 13.849 10.512 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.989 11.939 9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.843 13.265 9.489 1.00 0.00 H new ATOM 632 N SER A 83 15.617 13.299 11.969 1.00 0.00 N0 ATOM 633 CA SER A 83 15.674 13.440 13.419 1.00 0.00 C0 ATOM 634 C SER A 83 14.685 14.489 13.911 1.00 0.00 C0 ATOM 635 O SER A 83 14.869 15.684 13.682 1.00 0.00 O0 ATOM 636 CB SER A 83 17.077 13.811 13.853 1.00 0.00 C0 ATOM 637 OG SER A 83 17.133 14.039 15.234 1.00 0.00 O0 ATOM 0 H SER A 83 16.083 14.047 11.455 1.00 0.00 H new ATOM 0 HA SER A 83 15.401 12.481 13.860 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.768 13.011 13.585 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.402 14.705 13.320 1.00 0.00 H new ATOM 0 HG SER A 83 18.049 14.275 15.490 1.00 0.00 H new ATOM 643 N TYR A 84 13.636 14.036 14.586 1.00 0.00 N0 ATOM 644 CA TYR A 84 12.585 14.927 15.058 1.00 0.00 C0 ATOM 645 C TYR A 84 12.236 14.650 16.515 1.00 0.00 C0 ATOM 646 O TYR A 84 12.448 13.544 17.013 1.00 0.00 O0 ATOM 647 CB TYR A 84 11.337 14.799 14.182 1.00 0.00 C0 ATOM 648 CG TYR A 84 11.563 15.182 12.736 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 11.895 14.209 11.804 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 11.441 16.505 12.344 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 12.103 14.559 10.485 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 11.650 16.856 11.023 1.00 0.00 C0 ATOM 653 CZ TYR A 84 11.977 15.889 10.096 1.00 0.00 C0 ATOM 654 OH TYR A 84 12.185 16.235 8.780 1.00 0.00 O0 ATOM 0 H TYR A 84 13.491 13.054 14.819 1.00 0.00 H new ATOM 0 HA TYR A 84 12.961 15.948 14.989 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.979 13.770 14.224 1.00 0.00 H new ATOM 0 HB3 TYR A 84 10.548 15.428 14.595 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.991 13.178 12.111 1.00 0.00 H new ATOM 0 HD2 TYR A 84 11.183 17.262 13.070 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.362 13.804 9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 84 11.557 17.888 10.717 1.00 0.00 H new ATOM 0 HH TYR A 84 12.058 17.201 8.672 1.00 0.00 H new ATOM 664 N THR A 85 11.704 15.658 17.195 1.00 0.00 N0 ATOM 665 CA THR A 85 11.296 15.514 18.588 1.00 0.00 C0 ATOM 666 C THR A 85 9.855 15.032 18.692 1.00 0.00 C0 ATOM 667 O THR A 85 8.929 15.716 18.253 1.00 0.00 O0 ATOM 668 CB THR A 85 11.455 16.840 19.352 1.00 0.00 C0 ATOM 669 OG1 THR A 85 12.828 17.253 19.322 1.00 0.00 O0 ATOM 670 CG2 THR A 85 11.012 16.680 20.799 1.00 0.00 C0 ATOM 0 H THR A 85 11.544 16.586 16.804 1.00 0.00 H new ATOM 0 HA THR A 85 11.949 14.767 19.040 1.00 0.00 H new ATOM 0 HB THR A 85 10.831 17.593 18.871 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.926 18.098 19.808 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.132 17.628 21.323 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.965 16.379 20.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.622 15.918 21.284 1.00 0.00 H new ATOM 678 N ALA A 86 9.671 13.853 19.278 1.00 0.00 N0 ATOM 679 CA ALA A 86 8.343 13.270 19.426 1.00 0.00 C0 ATOM 680 C ALA A 86 7.729 13.631 20.771 1.00 0.00 C0 ATOM 681 O ALA A 86 8.222 13.216 21.820 1.00 0.00 O0 ATOM 682 CB ALA A 86 8.406 11.760 19.261 1.00 0.00 C0 ATOM 0 H ALA A 86 10.426 13.282 19.658 1.00 0.00 H new ATOM 0 HA ALA A 86 7.706 13.683 18.644 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.407 11.340 19.374 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.791 11.518 18.271 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.065 11.338 20.020 1.00 0.00 H new ATOM 688 N GLN A 87 6.651 14.408 20.735 1.00 0.00 N0 ATOM 689 CA GLN A 87 5.972 14.832 21.954 1.00 0.00 C0 ATOM 690 C GLN A 87 4.638 14.114 22.121 1.00 0.00 C0 ATOM 691 O GLN A 87 3.841 14.044 21.186 1.00 0.00 O0 ATOM 692 CB GLN A 87 5.754 16.347 21.945 1.00 0.00 C0 ATOM 693 CG GLN A 87 5.055 16.883 23.182 1.00 0.00 C0 ATOM 694 CD GLN A 87 4.909 18.392 23.158 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 5.594 19.084 22.397 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 4.017 18.915 23.990 1.00 0.00 N0 ATOM 0 H GLN A 87 6.229 14.757 19.874 1.00 0.00 H new ATOM 0 HA GLN A 87 6.609 14.569 22.799 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.720 16.841 21.845 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.167 16.613 21.066 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.068 16.427 23.264 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.617 16.590 24.069 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.472 18.307 24.602 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.876 19.925 24.018 1.00 0.00 H new ATOM 705 N VAL A 88 4.403 13.586 23.317 1.00 0.00 N0 ATOM 706 CA VAL A 88 3.105 13.018 23.659 1.00 0.00 C0 ATOM 707 C VAL A 88 2.608 13.549 24.999 1.00 0.00 C0 ATOM 708 O VAL A 88 3.103 13.156 26.055 1.00 0.00 O0 ATOM 709 CB VAL A 88 3.193 11.482 23.721 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 1.832 10.884 24.048 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 3.716 10.942 22.398 1.00 0.00 C0 ATOM 0 H VAL A 88 5.094 13.540 24.066 1.00 0.00 H new ATOM 0 HA VAL A 88 2.399 13.313 22.882 1.00 0.00 H new ATOM 0 HB VAL A 88 3.886 11.197 24.513 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.912 9.798 24.088 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.492 11.259 25.014 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.116 11.167 23.277 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.776 9.855 22.447 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.040 11.232 21.594 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.707 11.352 22.204 1.00 0.00 H new ATOM 721 N GLY A 89 1.628 14.444 24.948 1.00 0.00 N0 ATOM 722 CA GLY A 89 1.146 15.121 26.147 1.00 0.00 C0 ATOM 723 C GLY A 89 2.048 16.292 26.516 1.00 0.00 C0 ATOM 724 O GLY A 89 2.033 17.332 25.855 1.00 0.00 O0 ATOM 0 H GLY A 89 1.151 14.718 24.089 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.130 15.479 25.983 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.105 14.414 26.976 1.00 0.00 H new ATOM 728 N GLN A 90 2.832 16.119 27.574 1.00 0.00 N0 ATOM 729 CA GLN A 90 3.684 17.188 28.081 1.00 0.00 C0 ATOM 730 C GLN A 90 5.158 16.853 27.890 1.00 0.00 C0 ATOM 731 O GLN A 90 6.004 17.746 27.825 1.00 0.00 O0 ATOM 732 CB GLN A 90 3.394 17.451 29.559 1.00 0.00 C0 ATOM 733 CG GLN A 90 1.970 17.898 29.845 1.00 0.00 C0 ATOM 734 CD GLN A 90 1.641 19.230 29.198 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 2.380 20.206 29.348 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 0.529 19.277 28.473 1.00 0.00 N0 ATOM 0 H GLN A 90 2.895 15.246 28.098 1.00 0.00 H new ATOM 0 HA GLN A 90 3.461 18.090 27.511 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.598 16.542 30.125 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.082 18.214 29.922 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.275 17.140 29.484 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.826 17.975 30.923 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.052 18.444 28.376 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.256 20.146 28.013 1.00 0.00 H new ATOM 745 N GLN A 91 5.462 15.564 27.803 1.00 0.00 N0 ATOM 746 CA GLN A 91 6.838 15.107 27.670 1.00 0.00 C0 ATOM 747 C GLN A 91 7.180 14.797 26.217 1.00 0.00 C0 ATOM 748 O GLN A 91 6.300 14.477 25.419 1.00 0.00 O0 ATOM 749 CB GLN A 91 7.079 13.868 28.539 1.00 0.00 C0 ATOM 750 CG GLN A 91 6.849 14.097 30.023 1.00 0.00 C0 ATOM 751 CD GLN A 91 7.799 15.128 30.604 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 9.018 15.022 30.459 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 7.241 16.136 31.268 1.00 0.00 N0 ATOM 0 H GLN A 91 4.770 14.815 27.822 1.00 0.00 H new ATOM 0 HA GLN A 91 7.488 15.913 28.010 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.423 13.066 28.200 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.103 13.526 28.389 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.821 14.424 30.182 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.970 13.154 30.556 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.227 16.184 31.364 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.827 16.861 31.682 1.00 0.00 H new ATOM 762 N SER A 92 8.460 14.895 25.882 1.00 0.00 N0 ATOM 763 CA SER A 92 8.914 14.667 24.517 1.00 0.00 C0 ATOM 764 C SER A 92 10.341 14.135 24.490 1.00 0.00 C0 ATOM 765 O SER A 92 11.154 14.469 25.354 1.00 0.00 O0 ATOM 766 CB SER A 92 8.830 15.953 23.715 1.00 0.00 C0 ATOM 767 OG SER A 92 9.759 16.894 24.178 1.00 0.00 O0 ATOM 0 H SER A 92 9.204 15.131 26.539 1.00 0.00 H new ATOM 0 HA SER A 92 8.261 13.918 24.069 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.015 15.742 22.662 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.823 16.365 23.786 1.00 0.00 H new ATOM 0 HG SER A 92 9.688 17.714 23.645 1.00 0.00 H new ATOM 773 N LEU A 93 10.644 13.309 23.495 1.00 0.00 N0 ATOM 774 CA LEU A 93 12.003 12.829 23.282 1.00 0.00 C0 ATOM 775 C LEU A 93 12.323 12.718 21.796 1.00 0.00 C0 ATOM 776 O LEU A 93 11.476 12.317 20.999 1.00 0.00 O0 ATOM 777 CB LEU A 93 12.194 11.464 23.955 1.00 0.00 C0 ATOM 778 CG LEU A 93 12.220 11.476 25.489 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 12.227 10.046 26.008 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 13.446 12.237 25.970 1.00 0.00 C0 ATOM 0 H LEU A 93 9.964 12.957 22.821 1.00 0.00 H new ATOM 0 HA LEU A 93 12.686 13.552 23.727 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.391 10.803 23.629 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.128 11.031 23.598 1.00 0.00 H new ATOM 0 HG LEU A 93 11.331 11.977 25.872 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.245 10.055 27.098 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.331 9.530 25.664 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.110 9.528 25.634 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.465 12.246 27.060 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.346 11.750 25.596 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.407 13.261 25.600 1.00 0.00 H new ATOM 792 N PRO A 94 13.549 13.078 21.432 1.00 0.00 N0 ATOM 793 CA PRO A 94 14.013 12.932 20.057 1.00 0.00 C0 ATOM 794 C PRO A 94 13.873 11.492 19.580 1.00 0.00 C0 ATOM 795 O PRO A 94 14.183 10.551 20.310 1.00 0.00 O0 ATOM 796 CB PRO A 94 15.481 13.357 20.142 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.530 14.270 21.319 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.578 13.656 22.310 1.00 0.00 C0 ATOM 0 HA PRO A 94 13.441 13.524 19.343 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.137 12.497 20.277 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.802 13.863 19.232 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.538 14.338 21.727 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.226 15.282 21.050 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.063 12.897 22.924 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.163 14.399 22.990 1.00 0.00 H new ATOM 806 N VAL A 95 13.399 11.325 18.348 1.00 0.00 N0 ATOM 807 CA VAL A 95 13.289 10.005 17.742 1.00 0.00 C0 ATOM 808 C VAL A 95 13.969 9.965 16.379 1.00 0.00 C0 ATOM 809 O VAL A 95 14.040 10.979 15.680 1.00 0.00 O0 ATOM 810 CB VAL A 95 11.810 9.610 17.585 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 11.139 9.507 18.948 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 11.092 10.623 16.707 1.00 0.00 C0 ATOM 0 H VAL A 95 13.085 12.090 17.751 1.00 0.00 H new ATOM 0 HA VAL A 95 13.789 9.296 18.402 1.00 0.00 H new ATOM 0 HB VAL A 95 11.755 8.633 17.105 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.094 9.227 18.819 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.646 8.750 19.547 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.196 10.470 19.456 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.046 10.336 16.601 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.153 11.610 17.166 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.562 10.650 15.724 1.00 0.00 H new ATOM 822 N LYS A 96 14.467 8.792 16.004 1.00 0.00 N0 ATOM 823 CA LYS A 96 15.078 8.602 14.693 1.00 0.00 C0 ATOM 824 C LYS A 96 14.118 7.919 13.730 1.00 0.00 C0 ATOM 825 O LYS A 96 13.725 6.773 13.939 1.00 0.00 O0 ATOM 826 CB LYS A 96 16.366 7.787 14.817 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.115 7.590 13.505 1.00 0.00 C0 ATOM 828 CD LYS A 96 18.394 6.794 13.713 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.142 6.598 12.402 1.00 0.00 C0 ATOM 830 NZ LYS A 96 20.392 5.810 12.588 1.00 0.00 N0 ATOM 0 H LYS A 96 14.460 7.957 16.590 1.00 0.00 H new ATOM 0 HA LYS A 96 15.318 9.587 14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.028 8.282 15.528 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.124 6.809 15.234 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.474 7.072 12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.355 8.561 13.071 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.035 7.312 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.154 5.823 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.495 6.089 11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.386 7.570 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.872 5.699 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.021 6.308 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.157 4.872 12.972 1.00 0.00 H new ATOM 844 N LEU A 97 13.738 8.633 12.676 1.00 0.00 N0 ATOM 845 CA LEU A 97 12.777 8.121 11.707 1.00 0.00 C0 ATOM 846 C LEU A 97 13.458 7.764 10.391 1.00 0.00 C0 ATOM 847 O LEU A 97 13.737 8.635 9.569 1.00 0.00 O0 ATOM 848 CB LEU A 97 11.675 9.157 11.452 1.00 0.00 C0 ATOM 849 CG LEU A 97 10.877 9.594 12.688 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 9.870 10.664 12.290 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 10.180 8.387 13.296 1.00 0.00 C0 ATOM 0 H LEU A 97 14.082 9.571 12.471 1.00 0.00 H new ATOM 0 HA LEU A 97 12.334 7.216 12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.129 10.041 11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.980 8.749 10.719 1.00 0.00 H new ATOM 0 HG LEU A 97 11.549 10.015 13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.303 10.975 13.168 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.397 11.523 11.876 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.188 10.261 11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.613 8.698 14.174 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.502 7.951 12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.924 7.646 13.588 1.00 0.00 H new ATOM 863 N ASP A 98 13.722 6.476 10.200 1.00 0.00 N0 ATOM 864 CA ASP A 98 14.271 5.985 8.941 1.00 0.00 C0 ATOM 865 C ASP A 98 13.163 5.642 7.954 1.00 0.00 C0 ATOM 866 O ASP A 98 12.083 5.206 8.346 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.149 4.755 9.180 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.453 5.086 9.895 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 16.875 6.216 9.824 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 17.014 4.207 10.503 1.00 0.00 O0 ATOM 0 H ASP A 98 13.565 5.752 10.902 1.00 0.00 H new ATOM 0 HA ASP A 98 14.881 6.781 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.592 4.027 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.375 4.285 8.223 1.00 0.00 H new ATOM 875 N PRO A 99 13.439 5.841 6.669 1.00 0.00 N0 ATOM 876 CA PRO A 99 12.471 5.540 5.621 1.00 0.00 C0 ATOM 877 C PRO A 99 12.302 4.037 5.443 1.00 0.00 C0 ATOM 878 O PRO A 99 13.235 3.267 5.660 1.00 0.00 O0 ATOM 879 CB PRO A 99 13.094 6.190 4.381 1.00 0.00 C0 ATOM 880 CG PRO A 99 14.560 6.156 4.646 1.00 0.00 C0 ATOM 881 CD PRO A 99 14.679 6.423 6.123 1.00 0.00 C0 ATOM 0 HA PRO A 99 11.470 5.912 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.841 5.641 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.738 7.211 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.990 5.190 4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.087 6.910 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.566 5.953 6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.751 7.490 6.335 1.00 0.00 H new ATOM 889 N ASP A 100 11.101 3.625 5.046 1.00 0.00 N0 ATOM 890 CA ASP A 100 10.810 2.214 4.824 1.00 0.00 C0 ATOM 891 C ASP A 100 11.018 1.405 6.098 1.00 0.00 C0 ATOM 892 O ASP A 100 11.593 0.316 6.065 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.689 1.652 3.706 1.00 0.00 C0 ATOM 894 CG ASP A 100 11.454 2.338 2.367 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 10.327 2.671 2.082 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 12.401 2.520 1.643 1.00 0.00 O0 ATOM 0 H ASP A 100 10.314 4.250 4.872 1.00 0.00 H new ATOM 0 HA ASP A 100 9.764 2.134 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.737 1.760 3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.496 0.584 3.601 1.00 0.00 H new ATOM 901 N SER A 101 10.550 1.944 7.220 1.00 0.00 N0 ATOM 902 CA SER A 101 10.670 1.263 8.505 1.00 0.00 C0 ATOM 903 C SER A 101 9.492 1.590 9.413 1.00 0.00 C0 ATOM 904 O SER A 101 8.786 2.577 9.200 1.00 0.00 O0 ATOM 905 CB SER A 101 11.967 1.657 9.185 1.00 0.00 C0 ATOM 906 OG SER A 101 11.928 2.992 9.606 1.00 0.00 O0 ATOM 0 H SER A 101 10.084 2.850 7.265 1.00 0.00 H new ATOM 0 HA SER A 101 10.671 0.189 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.145 1.007 10.042 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.800 1.513 8.497 1.00 0.00 H new ATOM 0 HG SER A 101 12.004 3.583 8.828 1.00 0.00 H new ATOM 912 N TYR A 102 9.284 0.755 10.426 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.140 0.905 11.317 1.00 0.00 C0 ATOM 914 C TYR A 102 8.586 1.242 12.734 1.00 0.00 C0 ATOM 915 O TYR A 102 9.624 0.764 13.198 1.00 0.00 O0 ATOM 916 CB TYR A 102 7.291 -0.367 11.319 1.00 0.00 C0 ATOM 917 CG TYR A 102 6.784 -0.764 9.949 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 7.640 -1.371 9.042 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.463 -0.520 9.601 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 7.178 -1.734 7.790 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 5.001 -0.883 8.351 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.852 -1.485 7.449 1.00 0.00 C0 ATOM 923 OH TYR A 102 5.391 -1.846 6.202 1.00 0.00 O0 ATOM 0 H TYR A 102 9.893 -0.032 10.650 1.00 0.00 H new ATOM 0 HA TYR A 102 7.535 1.732 10.946 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.881 -1.186 11.729 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.439 -0.223 11.984 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.668 -1.560 9.314 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.797 -0.047 10.307 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.842 -2.207 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.973 -0.695 8.080 1.00 0.00 H new ATOM 0 HH TYR A 102 5.318 -2.822 6.150 1.00 0.00 H new ATOM 933 N TYR A 103 7.800 2.066 13.417 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.079 2.416 14.804 1.00 0.00 C0 ATOM 935 C TYR A 103 6.819 2.323 15.660 1.00 0.00 C0 ATOM 936 O TYR A 103 5.715 2.574 15.182 1.00 0.00 O0 ATOM 937 CB TYR A 103 8.677 3.822 14.893 1.00 0.00 C0 ATOM 938 CG TYR A 103 9.995 3.972 14.165 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 10.016 4.453 12.863 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 11.180 3.628 14.797 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 11.218 4.590 12.199 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 12.382 3.763 14.131 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.404 4.243 12.838 1.00 0.00 C0 ATOM 944 OH TYR A 103 13.601 4.379 12.174 1.00 0.00 O0 ATOM 0 H TYR A 103 6.963 2.505 13.032 1.00 0.00 H new ATOM 0 HA TYR A 103 8.805 1.700 15.190 1.00 0.00 H new ATOM 0 HB2 TYR A 103 7.963 4.537 14.484 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.821 4.080 15.942 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.093 4.720 12.370 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.163 3.254 15.810 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.238 4.965 11.187 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.305 3.493 14.622 1.00 0.00 H new ATOM 0 HH TYR A 103 14.113 5.115 12.570 1.00 0.00 H new ATOM 954 N THR A 104 6.997 1.960 16.925 1.00 0.00 N0 ATOM 955 CA THR A 104 5.920 2.053 17.904 1.00 0.00 C0 ATOM 956 C THR A 104 6.282 3.013 19.030 1.00 0.00 C0 ATOM 957 O THR A 104 7.356 2.916 19.622 1.00 0.00 O0 ATOM 958 CB THR A 104 5.587 0.669 18.494 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.145 -0.204 17.447 1.00 0.00 O0 ATOM 960 CG2 THR A 104 4.496 0.786 19.545 1.00 0.00 C0 ATOM 0 H THR A 104 7.876 1.599 17.297 1.00 0.00 H new ATOM 0 HA THR A 104 5.042 2.436 17.383 1.00 0.00 H new ATOM 0 HB THR A 104 6.485 0.264 18.961 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.829 -0.885 17.278 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.274 -0.201 19.950 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.833 1.441 20.348 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.597 1.202 19.091 1.00 0.00 H new ATOM 968 N LEU A 105 5.376 3.942 19.324 1.00 0.00 N0 ATOM 969 CA LEU A 105 5.651 5.006 20.280 1.00 0.00 C0 ATOM 970 C LEU A 105 4.755 4.889 21.507 1.00 0.00 C0 ATOM 971 O LEU A 105 3.583 5.269 21.468 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.453 6.376 19.621 1.00 0.00 C0 ATOM 973 CG LEU A 105 5.825 7.589 20.482 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 7.314 7.553 20.791 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 5.450 8.868 19.749 1.00 0.00 C0 ATOM 0 H LEU A 105 4.444 3.978 18.912 1.00 0.00 H new ATOM 0 HA LEU A 105 6.688 4.907 20.602 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.045 6.408 18.707 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.408 6.469 19.327 1.00 0.00 H new ATOM 0 HG LEU A 105 5.276 7.560 21.423 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.580 8.415 21.403 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.551 6.637 21.332 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.880 7.581 19.860 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.715 9.730 20.362 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.989 8.916 18.803 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.377 8.876 19.556 1.00 0.00 H new ATOM 987 N VAL A 106 5.310 4.362 22.592 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.543 4.137 23.811 1.00 0.00 C0 ATOM 989 C VAL A 106 4.792 5.240 24.832 1.00 0.00 C0 ATOM 990 O VAL A 106 5.939 5.552 25.153 1.00 0.00 O0 ATOM 991 CB VAL A 106 4.912 2.776 24.429 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.168 2.566 25.741 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 4.596 1.657 23.447 1.00 0.00 C0 ATOM 0 H VAL A 106 6.289 4.082 22.652 1.00 0.00 H new ATOM 0 HA VAL A 106 3.486 4.143 23.543 1.00 0.00 H new ATOM 0 HB VAL A 106 5.981 2.764 24.640 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.441 1.599 26.163 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.436 3.357 26.442 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.094 2.592 25.558 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.860 0.697 23.892 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.531 1.668 23.213 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.170 1.803 22.532 1.00 0.00 H new ATOM 1003 N SER A 107 3.713 5.826 25.338 1.00 0.00 N0 ATOM 1004 CA SER A 107 3.815 6.950 26.262 1.00 0.00 C0 ATOM 1005 C SER A 107 2.651 6.959 27.246 1.00 0.00 C0 ATOM 1006 O SER A 107 1.555 6.498 26.930 1.00 0.00 O0 ATOM 1007 CB SER A 107 3.853 8.255 25.496 1.00 0.00 C0 ATOM 1008 OG SER A 107 3.966 9.347 26.367 1.00 0.00 O0 ATOM 0 H SER A 107 2.757 5.542 25.124 1.00 0.00 H new ATOM 0 HA SER A 107 4.740 6.838 26.827 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.695 8.250 24.803 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.948 8.355 24.897 1.00 0.00 H new ATOM 0 HG SER A 107 3.194 9.939 26.251 1.00 0.00 H new ATOM 1014 N GLN A 108 2.896 7.491 28.438 1.00 0.00 N0 ATOM 1015 CA GLN A 108 1.851 7.625 29.446 1.00 0.00 C0 ATOM 1016 C GLN A 108 2.148 8.776 30.399 1.00 0.00 C0 ATOM 1017 O GLN A 108 3.294 9.205 30.529 1.00 0.00 O0 ATOM 1018 CB GLN A 108 1.694 6.321 30.233 1.00 0.00 C0 ATOM 1019 CG GLN A 108 2.899 5.961 31.086 1.00 0.00 C0 ATOM 1020 CD GLN A 108 2.723 4.638 31.809 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 2.822 3.568 31.205 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 2.459 4.709 33.109 1.00 0.00 N0 ATOM 0 H GLN A 108 3.810 7.837 28.730 1.00 0.00 H new ATOM 0 HA GLN A 108 0.917 7.842 28.928 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.818 6.401 30.877 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.502 5.508 29.533 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.786 5.911 30.454 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.072 6.751 31.817 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.386 5.618 33.566 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.329 3.854 33.650 1.00 0.00 H new ATOM 1031 N PRO A 109 1.110 9.269 31.064 1.00 0.00 N0 ATOM 1032 CA PRO A 109 1.263 10.351 32.031 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.294 9.996 33.095 1.00 0.00 C0 ATOM 1034 O PRO A 109 2.175 8.975 33.772 1.00 0.00 O0 ATOM 1035 CB PRO A 109 -0.143 10.481 32.628 1.00 0.00 C0 ATOM 1036 CG PRO A 109 -1.045 10.010 31.541 1.00 0.00 C0 ATOM 1037 CD PRO A 109 -0.303 8.862 30.909 1.00 0.00 C0 ATOM 0 HA PRO A 109 1.623 11.279 31.587 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.252 9.874 33.527 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.363 11.511 32.910 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.009 9.690 31.936 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.243 10.801 30.818 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.511 7.918 31.413 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.575 8.731 29.862 1.00 0.00 H new ATOM 1045 N GLY A 110 3.306 10.844 33.236 1.00 0.00 N0 ATOM 1046 CA GLY A 110 4.352 10.630 34.229 1.00 0.00 C0 ATOM 1047 C GLY A 110 5.615 10.071 33.587 1.00 0.00 C0 ATOM 1048 O GLY A 110 6.704 10.161 34.153 1.00 0.00 O0 ATOM 0 H GLY A 110 3.425 11.687 32.675 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.581 11.571 34.729 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.995 9.941 34.995 1.00 0.00 H new ATOM 1052 N GLY A 111 5.463 9.493 32.400 1.00 0.00 N0 ATOM 1053 CA GLY A 111 6.591 8.911 31.681 1.00 0.00 C0 ATOM 1054 C GLY A 111 6.925 9.719 30.435 1.00 0.00 C0 ATOM 1055 O GLY A 111 6.381 10.803 30.221 1.00 0.00 O0 ATOM 0 H GLY A 111 4.569 9.415 31.915 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.461 8.871 32.336 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.356 7.884 31.400 1.00 0.00 H new ATOM 1059 N LYS A 112 7.824 9.188 29.613 1.00 0.00 N0 ATOM 1060 CA LYS A 112 8.226 9.854 28.380 1.00 0.00 C0 ATOM 1061 C LYS A 112 8.016 8.951 27.174 1.00 0.00 C0 ATOM 1062 O LYS A 112 8.003 7.726 27.298 1.00 0.00 O0 ATOM 1063 CB LYS A 112 9.688 10.296 28.462 1.00 0.00 C0 ATOM 1064 CG LYS A 112 9.976 11.320 29.550 1.00 0.00 C0 ATOM 1065 CD LYS A 112 11.435 11.756 29.530 1.00 0.00 C0 ATOM 1066 CE LYS A 112 11.727 12.765 30.629 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 13.157 13.187 30.631 1.00 0.00 N0 ATOM 0 H LYS A 112 8.289 8.296 29.779 1.00 0.00 H new ATOM 0 HA LYS A 112 7.598 10.736 28.257 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.311 9.418 28.632 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.983 10.714 27.500 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.333 12.189 29.413 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.735 10.895 30.525 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.078 10.885 29.653 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.673 12.193 28.560 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.091 13.640 30.497 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.475 12.331 31.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.315 13.875 31.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.764 12.356 30.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.391 13.625 29.717 1.00 0.00 H new ATOM 1081 N PRO A 113 7.857 9.563 26.003 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.645 8.812 24.771 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.774 7.821 24.527 1.00 0.00 C0 ATOM 1084 O PRO A 113 9.939 8.209 24.406 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.615 9.911 23.703 1.00 0.00 C0 ATOM 1086 CG PRO A 113 7.135 11.119 24.432 1.00 0.00 C0 ATOM 1087 CD PRO A 113 7.788 11.023 25.784 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.739 8.206 24.784 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.603 10.073 23.271 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.947 9.650 22.882 1.00 0.00 H new ATOM 0 HG2 PRO A 113 7.422 12.035 23.916 1.00 0.00 H new ATOM 0 HG3 PRO A 113 6.048 11.127 24.515 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.777 11.481 25.790 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.200 11.522 26.555 1.00 0.00 H new ATOM 1095 N GLN A 114 8.426 6.542 24.453 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.412 5.492 24.224 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.353 4.985 22.789 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.375 4.360 22.382 1.00 0.00 O0 ATOM 1099 CB GLN A 114 9.195 4.331 25.200 1.00 0.00 C0 ATOM 1100 CG GLN A 114 10.115 3.143 24.966 1.00 0.00 C0 ATOM 1101 CD GLN A 114 11.567 3.470 25.255 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 11.936 3.771 26.393 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 12.400 3.412 24.220 1.00 0.00 N0 ATOM 0 H GLN A 114 7.468 6.206 24.548 1.00 0.00 H new ATOM 0 HA GLN A 114 10.400 5.920 24.395 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.340 4.694 26.218 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.160 3.996 25.125 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.800 2.313 25.598 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.019 2.811 23.932 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.049 3.158 23.297 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.390 3.621 24.350 1.00 0.00 H new ATOM 1112 N LEU A 115 10.407 5.257 22.026 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.495 4.794 20.648 1.00 0.00 C0 ATOM 1114 C LEU A 115 10.860 3.316 20.585 1.00 0.00 C0 ATOM 1115 O LEU A 115 11.826 2.878 21.214 1.00 0.00 O0 ATOM 1116 CB LEU A 115 11.534 5.617 19.877 1.00 0.00 C0 ATOM 1117 CG LEU A 115 11.636 5.322 18.375 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 10.369 5.797 17.678 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 12.866 6.013 17.804 1.00 0.00 C0 ATOM 0 H LEU A 115 11.213 5.797 22.341 1.00 0.00 H new ATOM 0 HA LEU A 115 9.516 4.926 20.188 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.301 6.674 20.006 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.512 5.449 20.329 1.00 0.00 H new ATOM 0 HG LEU A 115 11.738 4.249 18.212 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.441 5.588 16.611 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.507 5.274 18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.250 6.870 17.830 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.939 5.803 16.737 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.783 7.089 17.958 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.759 5.642 18.308 1.00 0.00 H new ATOM 1131 N VAL A 116 10.083 2.551 19.824 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.414 1.158 19.551 1.00 0.00 C0 ATOM 1133 C VAL A 116 10.685 0.939 18.066 1.00 0.00 C0 ATOM 1134 O VAL A 116 9.786 1.071 17.236 1.00 0.00 O0 ATOM 1135 CB VAL A 116 9.264 0.238 20.001 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 9.595 -1.216 19.694 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 9.000 0.430 21.487 1.00 0.00 C0 ATOM 0 H VAL A 116 9.220 2.873 19.386 1.00 0.00 H new ATOM 0 HA VAL A 116 11.317 0.915 20.111 1.00 0.00 H new ATOM 0 HB VAL A 116 8.361 0.502 19.450 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.772 -1.853 20.018 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.746 -1.336 18.621 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.505 -1.501 20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.185 -0.224 21.799 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.900 0.184 22.051 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.726 1.468 21.677 1.00 0.00 H new ATOM 1147 N ALA A 117 11.927 0.604 17.741 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.330 0.404 16.354 1.00 0.00 C0 ATOM 1149 C ALA A 117 11.833 -0.935 15.823 1.00 0.00 C0 ATOM 1150 O ALA A 117 11.981 -1.967 16.478 1.00 0.00 O0 ATOM 1151 CB ALA A 117 13.843 0.499 16.221 1.00 0.00 C0 ATOM 0 H ALA A 117 12.675 0.465 18.421 1.00 0.00 H new ATOM 0 HA ALA A 117 11.875 1.193 15.755 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.127 0.347 15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.176 1.484 16.548 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.311 -0.266 16.840 1.00 0.00 H new ATOM 1157 N GLU A 118 11.247 -0.912 14.631 1.00 0.00 N0 ATOM 1158 CA GLU A 118 10.772 -2.133 13.988 1.00 0.00 C0 ATOM 1159 C GLU A 118 11.073 -2.124 12.496 1.00 0.00 C0 ATOM 1160 O GLU A 118 10.185 -1.900 11.674 1.00 0.00 O0 ATOM 1161 CB GLU A 118 9.266 -2.301 14.213 1.00 0.00 C0 ATOM 1162 CG GLU A 118 8.853 -2.363 15.677 1.00 0.00 C0 ATOM 1163 CD GLU A 118 7.367 -2.511 15.859 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 6.706 -2.874 14.917 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 6.894 -2.259 16.942 1.00 0.00 O0 ATOM 0 H GLU A 118 11.089 -0.062 14.090 1.00 0.00 H new ATOM 0 HA GLU A 118 11.299 -2.974 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.745 -1.471 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.936 -3.213 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.358 -3.201 16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.188 -1.457 16.183 1.00 0.00 H new ATOM 1172 N PRO A 119 12.333 -2.368 12.152 1.00 0.00 N0 ATOM 1173 CA PRO A 119 12.753 -2.400 10.756 1.00 0.00 C0 ATOM 1174 C PRO A 119 11.907 -3.376 9.949 1.00 0.00 C0 ATOM 1175 O PRO A 119 10.819 -3.051 9.564 1.00 0.00 O0 ATOM 1176 CB PRO A 119 14.212 -2.859 10.845 1.00 0.00 C0 ATOM 1177 CG PRO A 119 14.666 -2.375 12.180 1.00 0.00 C0 ATOM 1178 CD PRO A 119 13.474 -2.577 13.076 1.00 0.00 C0 ATOM 0 HA PRO A 119 12.639 -1.442 10.249 1.00 0.00 H new ATOM 0 HB2 PRO A 119 14.294 -3.943 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.813 -2.434 10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 119 15.529 -2.938 12.534 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.962 -1.327 12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 119 13.462 -3.575 13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 119 13.462 -1.865 13.901 1.00 0.00 H new TER 1186 PRO A 119