USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 1 LYS N :NH3+ -142:sc= 0.0312 (180deg=-0.842) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 161:sc= 0.983 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= 1.33 (180deg=1.12) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.19) USER MOD Single : A 21 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.02) USER MOD Single : A 22 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 24 SER OG : rot -103:sc= 0.838 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -84:sc= 1.01 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc=-0.00926 (180deg=-0.0295) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.17) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0572 F(o=-1.8,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.762 5.708 -0.306 1.00 0.00 N ATOM 2 CA LYS A 1 -11.172 5.606 0.035 1.00 0.00 C ATOM 3 C LYS A 1 -11.278 5.046 1.459 1.00 0.00 C ATOM 4 O LYS A 1 -10.483 5.442 2.317 1.00 0.00 O ATOM 5 CB LYS A 1 -11.924 4.800 -1.036 1.00 0.00 C ATOM 6 CG LYS A 1 -11.652 5.385 -2.431 1.00 0.00 C ATOM 7 CD LYS A 1 -12.580 4.797 -3.499 1.00 0.00 C ATOM 8 CE LYS A 1 -13.958 5.468 -3.518 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.945 6.793 -4.171 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.601 6.573 -0.861 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.196 5.745 0.566 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.480 4.879 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.661 6.580 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.609 3.757 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.994 4.817 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.778 6.467 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.615 5.192 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.114 4.905 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.703 3.729 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.665 4.820 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.317 5.577 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.903 7.198 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.293 7.424 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.630 6.691 -5.157 1.00 0.00 H new ATOM 23 N SER A 2 -12.240 4.158 1.732 1.00 0.00 N ATOM 24 CA SER A 2 -12.465 3.637 3.073 1.00 0.00 C ATOM 25 C SER A 2 -11.751 2.292 3.244 1.00 0.00 C ATOM 26 O SER A 2 -11.519 1.600 2.249 1.00 0.00 O ATOM 27 CB SER A 2 -13.971 3.521 3.316 1.00 0.00 C ATOM 28 OG SER A 2 -14.561 2.631 2.396 1.00 0.00 O ATOM 0 H SER A 2 -12.879 3.785 1.029 1.00 0.00 H new ATOM 0 HA SER A 2 -12.049 4.318 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.154 3.174 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.435 4.503 3.227 1.00 0.00 H new ATOM 0 HG SER A 2 -15.430 2.335 2.739 1.00 0.00 H new ATOM 34 N PRO A 3 -11.445 1.886 4.491 1.00 0.00 N ATOM 35 CA PRO A 3 -10.911 0.572 4.805 1.00 0.00 C ATOM 36 C PRO A 3 -11.558 -0.548 3.992 1.00 0.00 C ATOM 37 O PRO A 3 -10.846 -1.381 3.448 1.00 0.00 O ATOM 38 CB PRO A 3 -11.120 0.395 6.306 1.00 0.00 C ATOM 39 CG PRO A 3 -10.951 1.824 6.820 1.00 0.00 C ATOM 40 CD PRO A 3 -11.610 2.661 5.721 1.00 0.00 C ATOM 0 HA PRO A 3 -9.856 0.509 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.106 -0.008 6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.389 -0.285 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.439 1.967 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.901 2.085 6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.664 2.834 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.137 3.639 5.635 1.00 0.00 H new ATOM 48 N GLU A 4 -12.888 -0.554 3.869 1.00 0.00 N ATOM 49 CA GLU A 4 -13.612 -1.560 3.157 1.00 0.00 C ATOM 50 C GLU A 4 -13.194 -1.704 1.697 1.00 0.00 C ATOM 51 O GLU A 4 -13.243 -2.813 1.160 1.00 0.00 O ATOM 52 CB GLU A 4 -15.107 -1.232 3.258 1.00 0.00 C ATOM 53 CG GLU A 4 -15.615 -0.784 4.643 1.00 0.00 C ATOM 54 CD GLU A 4 -15.737 0.724 4.783 1.00 0.00 C ATOM 55 OE1 GLU A 4 -16.345 1.345 3.874 1.00 0.00 O ATOM 56 OE2 GLU A 4 -15.269 1.261 5.809 1.00 0.00 O ATOM 0 H GLU A 4 -13.486 0.164 4.278 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.385 -2.522 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.334 -0.445 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.672 -2.113 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.588 -1.238 4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.936 -1.159 5.409 1.00 0.00 H new ATOM 63 N GLU A 5 -12.838 -0.606 1.028 1.00 0.00 N ATOM 64 CA GLU A 5 -12.329 -0.674 -0.337 1.00 0.00 C ATOM 65 C GLU A 5 -10.837 -1.013 -0.282 1.00 0.00 C ATOM 66 O GLU A 5 -10.335 -1.841 -1.040 1.00 0.00 O ATOM 67 CB GLU A 5 -12.587 0.640 -1.090 1.00 0.00 C ATOM 68 CG GLU A 5 -13.891 1.365 -0.724 1.00 0.00 C ATOM 69 CD GLU A 5 -15.160 0.531 -0.786 1.00 0.00 C ATOM 70 OE1 GLU A 5 -15.142 -0.574 -1.382 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.184 1.027 -0.254 1.00 0.00 O ATOM 0 H GLU A 5 -12.894 0.338 1.411 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.853 -1.454 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.752 1.315 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.596 0.430 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.791 1.762 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.008 2.218 -1.392 1.00 0.00 H new ATOM 78 N LEU A 6 -10.124 -0.338 0.621 1.00 0.00 N ATOM 79 CA LEU A 6 -8.681 -0.366 0.683 1.00 0.00 C ATOM 80 C LEU A 6 -8.170 -1.766 1.021 1.00 0.00 C ATOM 81 O LEU A 6 -7.103 -2.161 0.553 1.00 0.00 O ATOM 82 CB LEU A 6 -8.179 0.693 1.668 1.00 0.00 C ATOM 83 CG LEU A 6 -8.425 2.130 1.161 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.105 3.126 2.276 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.541 2.473 -0.043 1.00 0.00 C ATOM 0 H LEU A 6 -10.550 0.250 1.337 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.278 -0.121 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.678 0.559 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.112 0.549 1.840 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.471 2.192 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.279 4.141 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.747 2.929 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.061 3.019 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.747 3.493 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.492 2.387 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.754 1.783 -0.859 1.00 0.00 H new ATOM 97 N LYS A 7 -8.925 -2.534 1.809 1.00 0.00 N ATOM 98 CA LYS A 7 -8.596 -3.917 2.089 1.00 0.00 C ATOM 99 C LYS A 7 -8.585 -4.729 0.788 1.00 0.00 C ATOM 100 O LYS A 7 -7.668 -5.518 0.547 1.00 0.00 O ATOM 101 CB LYS A 7 -9.585 -4.461 3.129 1.00 0.00 C ATOM 102 CG LYS A 7 -8.987 -5.627 3.933 1.00 0.00 C ATOM 103 CD LYS A 7 -9.976 -6.149 4.984 1.00 0.00 C ATOM 104 CE LYS A 7 -9.252 -7.015 6.029 1.00 0.00 C ATOM 105 NZ LYS A 7 -10.191 -7.627 6.992 1.00 0.00 N ATOM 0 H LYS A 7 -9.777 -2.208 2.266 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.594 -3.999 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.873 -3.660 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.493 -4.794 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.714 -6.436 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.071 -5.300 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.467 -5.310 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.756 -6.734 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.691 -7.800 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.529 -6.403 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.660 -8.201 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.709 -6.879 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.866 -8.232 6.482 1.00 0.00 H new ATOM 119 N GLY A 8 -9.579 -4.496 -0.071 1.00 0.00 N ATOM 120 CA GLY A 8 -9.683 -5.176 -1.349 1.00 0.00 C ATOM 121 C GLY A 8 -8.521 -4.775 -2.247 1.00 0.00 C ATOM 122 O GLY A 8 -7.823 -5.627 -2.791 1.00 0.00 O ATOM 0 H GLY A 8 -10.331 -3.830 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.681 -6.255 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.629 -4.924 -1.829 1.00 0.00 H new ATOM 126 N ILE A 9 -8.292 -3.467 -2.370 1.00 0.00 N ATOM 127 CA ILE A 9 -7.191 -2.924 -3.157 1.00 0.00 C ATOM 128 C ILE A 9 -5.855 -3.537 -2.709 1.00 0.00 C ATOM 129 O ILE A 9 -5.127 -4.106 -3.525 1.00 0.00 O ATOM 130 CB ILE A 9 -7.223 -1.388 -3.061 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.472 -0.801 -3.748 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.944 -0.742 -3.599 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.397 -0.804 -5.280 1.00 0.00 C ATOM 0 H ILE A 9 -8.869 -2.754 -1.924 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.301 -3.191 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.280 -1.147 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.348 -1.370 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.617 0.223 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.018 0.342 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.088 -1.097 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.814 -1.010 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.312 -0.376 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.542 -0.210 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.284 -1.828 -5.637 1.00 0.00 H new ATOM 145 N PHE A 10 -5.546 -3.447 -1.411 1.00 0.00 N ATOM 146 CA PHE A 10 -4.396 -4.107 -0.814 1.00 0.00 C ATOM 147 C PHE A 10 -4.321 -5.578 -1.253 1.00 0.00 C ATOM 148 O PHE A 10 -3.301 -5.991 -1.807 1.00 0.00 O ATOM 149 CB PHE A 10 -4.473 -3.966 0.710 1.00 0.00 C ATOM 150 CG PHE A 10 -3.407 -4.724 1.472 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.587 -6.099 1.714 1.00 0.00 C ATOM 152 CD2 PHE A 10 -2.139 -4.151 1.671 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.466 -6.938 1.768 1.00 0.00 C ATOM 154 CE2 PHE A 10 -1.038 -4.979 1.936 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.186 -6.372 1.846 1.00 0.00 C ATOM 0 H PHE A 10 -6.097 -2.907 -0.744 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.478 -3.631 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.401 -2.909 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.452 -4.310 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.578 -6.503 1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.013 -3.080 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.587 -8.011 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.085 -4.549 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.313 -7.008 1.837 1.00 0.00 H new ATOM 165 N GLU A 11 -5.384 -6.367 -1.025 1.00 0.00 N ATOM 166 CA GLU A 11 -5.419 -7.783 -1.391 1.00 0.00 C ATOM 167 C GLU A 11 -5.012 -7.965 -2.858 1.00 0.00 C ATOM 168 O GLU A 11 -4.147 -8.785 -3.182 1.00 0.00 O ATOM 169 CB GLU A 11 -6.827 -8.368 -1.156 1.00 0.00 C ATOM 170 CG GLU A 11 -6.817 -9.901 -1.277 1.00 0.00 C ATOM 171 CD GLU A 11 -8.148 -10.486 -1.719 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.202 -10.097 -1.167 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.095 -11.384 -2.596 1.00 0.00 O ATOM 0 H GLU A 11 -6.241 -6.036 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.709 -8.318 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.183 -8.081 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.524 -7.947 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.046 -10.196 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.543 -10.331 -0.314 1.00 0.00 H new ATOM 180 N LYS A 12 -5.671 -7.199 -3.731 1.00 0.00 N ATOM 181 CA LYS A 12 -5.568 -7.309 -5.173 1.00 0.00 C ATOM 182 C LYS A 12 -4.114 -7.236 -5.632 1.00 0.00 C ATOM 183 O LYS A 12 -3.734 -7.930 -6.577 1.00 0.00 O ATOM 184 CB LYS A 12 -6.428 -6.218 -5.829 1.00 0.00 C ATOM 185 CG LYS A 12 -6.754 -6.545 -7.292 1.00 0.00 C ATOM 186 CD LYS A 12 -7.696 -5.507 -7.919 1.00 0.00 C ATOM 187 CE LYS A 12 -7.027 -4.133 -8.072 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.871 -3.186 -8.823 1.00 0.00 N ATOM 0 H LYS A 12 -6.311 -6.462 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.944 -8.283 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.355 -6.101 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.903 -5.264 -5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.830 -6.590 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.213 -7.532 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.024 -5.860 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.588 -5.408 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.812 -3.723 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.071 -4.250 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.693 -2.219 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.643 -3.246 -9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.873 -3.424 -8.679 1.00 0.00 H new ATOM 202 N TYR A 13 -3.305 -6.383 -4.996 1.00 0.00 N ATOM 203 CA TYR A 13 -1.872 -6.333 -5.263 1.00 0.00 C ATOM 204 C TYR A 13 -1.091 -7.368 -4.452 1.00 0.00 C ATOM 205 O TYR A 13 -0.269 -8.069 -5.038 1.00 0.00 O ATOM 206 CB TYR A 13 -1.340 -4.910 -5.130 1.00 0.00 C ATOM 207 CG TYR A 13 -1.731 -4.063 -6.323 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.041 -3.541 -6.394 1.00 0.00 C ATOM 209 CD2 TYR A 13 -0.865 -3.922 -7.418 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.492 -2.929 -7.565 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.374 -3.435 -8.637 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.696 -2.985 -8.724 1.00 0.00 C ATOM 213 OH TYR A 13 -3.215 -2.618 -9.928 1.00 0.00 O ATOM 0 H TYR A 13 -3.623 -5.718 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.712 -6.621 -6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.728 -4.458 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.254 -4.933 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.697 -3.615 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.179 -4.184 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.443 -2.417 -7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.740 -3.409 -9.511 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.531 -2.716 -10.623 1.00 0.00 H new ATOM 223 N ALA A 14 -1.334 -7.519 -3.141 1.00 0.00 N ATOM 224 CA ALA A 14 -0.571 -8.466 -2.327 1.00 0.00 C ATOM 225 C ALA A 14 -0.519 -9.892 -2.897 1.00 0.00 C ATOM 226 O ALA A 14 0.427 -10.632 -2.615 1.00 0.00 O ATOM 227 CB ALA A 14 -1.160 -8.484 -0.927 1.00 0.00 C ATOM 0 H ALA A 14 -2.048 -7.000 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 14 0.463 -8.120 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.602 -9.186 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.097 -7.486 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.204 -8.793 -0.975 1.00 0.00 H new ATOM 233 N ALA A 15 -1.542 -10.265 -3.679 1.00 0.00 N ATOM 234 CA ALA A 15 -1.677 -11.568 -4.316 1.00 0.00 C ATOM 235 C ALA A 15 -0.678 -11.818 -5.459 1.00 0.00 C ATOM 236 O ALA A 15 -0.534 -12.972 -5.881 1.00 0.00 O ATOM 237 CB ALA A 15 -3.106 -11.711 -4.843 1.00 0.00 C ATOM 0 H ALA A 15 -2.321 -9.641 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.452 -12.315 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.221 -12.683 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.809 -11.630 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.307 -10.922 -5.568 1.00 0.00 H new ATOM 243 N LYS A 16 -0.047 -10.778 -6.022 1.00 0.00 N ATOM 244 CA LYS A 16 0.837 -10.921 -7.176 1.00 0.00 C ATOM 245 C LYS A 16 2.062 -11.794 -6.881 1.00 0.00 C ATOM 246 O LYS A 16 2.246 -12.846 -7.506 1.00 0.00 O ATOM 247 CB LYS A 16 1.288 -9.534 -7.681 1.00 0.00 C ATOM 248 CG LYS A 16 1.180 -9.352 -9.195 1.00 0.00 C ATOM 249 CD LYS A 16 -0.265 -9.299 -9.689 1.00 0.00 C ATOM 250 CE LYS A 16 -1.123 -8.262 -8.968 1.00 0.00 C ATOM 251 NZ LYS A 16 -0.592 -6.878 -9.025 1.00 0.00 N ATOM 0 H LYS A 16 -0.138 -9.819 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 16 0.262 -11.426 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.687 -8.768 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.322 -9.369 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.690 -8.432 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.698 -10.172 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.267 -9.080 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.718 -10.282 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.123 -8.272 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.225 -8.556 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.134 -6.271 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.409 -6.878 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.679 -6.513 -9.995 1.00 0.00 H new ATOM 265 N GLU A 17 2.939 -11.308 -6.003 1.00 0.00 N ATOM 266 CA GLU A 17 4.347 -11.666 -5.928 1.00 0.00 C ATOM 267 C GLU A 17 4.651 -12.533 -4.706 1.00 0.00 C ATOM 268 O GLU A 17 4.395 -12.125 -3.571 1.00 0.00 O ATOM 269 CB GLU A 17 5.228 -10.409 -5.924 1.00 0.00 C ATOM 270 CG GLU A 17 4.596 -9.123 -5.365 1.00 0.00 C ATOM 271 CD GLU A 17 3.954 -9.242 -3.992 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.837 -9.777 -3.870 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.594 -8.974 -2.959 1.00 0.00 O ATOM 0 H GLU A 17 2.671 -10.624 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 17 4.578 -12.255 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.127 -10.625 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.547 -10.214 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.366 -8.353 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.840 -8.777 -6.070 1.00 0.00 H new ATOM 280 N GLY A 18 5.240 -13.700 -4.979 1.00 0.00 N ATOM 281 CA GLY A 18 5.657 -14.704 -4.026 1.00 0.00 C ATOM 282 C GLY A 18 4.571 -14.968 -2.995 1.00 0.00 C ATOM 283 O GLY A 18 3.612 -15.691 -3.275 1.00 0.00 O ATOM 0 H GLY A 18 5.447 -13.977 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.897 -15.629 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.567 -14.377 -3.524 1.00 0.00 H new ATOM 287 N ASP A 19 4.696 -14.351 -1.821 1.00 0.00 N ATOM 288 CA ASP A 19 3.683 -14.441 -0.784 1.00 0.00 C ATOM 289 C ASP A 19 2.333 -13.876 -1.277 1.00 0.00 C ATOM 290 O ASP A 19 2.328 -12.905 -2.043 1.00 0.00 O ATOM 291 CB ASP A 19 4.202 -13.705 0.467 1.00 0.00 C ATOM 292 CG ASP A 19 3.216 -12.654 0.922 1.00 0.00 C ATOM 293 OD1 ASP A 19 3.070 -11.648 0.191 1.00 0.00 O ATOM 294 OD2 ASP A 19 2.493 -12.919 1.904 1.00 0.00 O ATOM 0 H ASP A 19 5.501 -13.778 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 19 3.499 -15.484 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.373 -14.421 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.162 -13.238 0.247 1.00 0.00 H new ATOM 299 N PRO A 20 1.198 -14.400 -0.787 1.00 0.00 N ATOM 300 CA PRO A 20 -0.129 -13.924 -1.144 1.00 0.00 C ATOM 301 C PRO A 20 -0.633 -12.757 -0.275 1.00 0.00 C ATOM 302 O PRO A 20 -1.651 -12.160 -0.628 1.00 0.00 O ATOM 303 CB PRO A 20 -1.024 -15.149 -0.945 1.00 0.00 C ATOM 304 CG PRO A 20 -0.385 -15.831 0.265 1.00 0.00 C ATOM 305 CD PRO A 20 1.107 -15.596 0.033 1.00 0.00 C ATOM 0 HA PRO A 20 -0.129 -13.525 -2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.060 -14.868 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.027 -15.797 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.723 -15.391 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.626 -16.893 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.633 -15.463 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.564 -16.449 -0.468 1.00 0.00 H new ATOM 313 N ASN A 21 -0.026 -12.484 0.890 1.00 0.00 N ATOM 314 CA ASN A 21 -0.611 -11.647 1.929 1.00 0.00 C ATOM 315 C ASN A 21 0.096 -10.301 2.084 1.00 0.00 C ATOM 316 O ASN A 21 -0.526 -9.343 2.536 1.00 0.00 O ATOM 317 CB ASN A 21 -0.560 -12.425 3.245 1.00 0.00 C ATOM 318 CG ASN A 21 -1.125 -11.601 4.394 1.00 0.00 C ATOM 319 OD1 ASN A 21 -2.334 -11.383 4.491 1.00 0.00 O ATOM 320 ND2 ASN A 21 -0.249 -11.134 5.273 1.00 0.00 N ATOM 0 H ASN A 21 0.896 -12.847 1.132 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.637 -11.415 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.126 -13.351 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.470 -12.704 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.569 -10.573 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.744 -11.336 5.159 1.00 0.00 H new ATOM 327 N GLN A 22 1.381 -10.210 1.731 1.00 0.00 N ATOM 328 CA GLN A 22 2.203 -9.018 1.883 1.00 0.00 C ATOM 329 C GLN A 22 2.405 -8.302 0.544 1.00 0.00 C ATOM 330 O GLN A 22 2.527 -8.934 -0.514 1.00 0.00 O ATOM 331 CB GLN A 22 3.571 -9.380 2.485 1.00 0.00 C ATOM 332 CG GLN A 22 3.474 -9.834 3.948 1.00 0.00 C ATOM 333 CD GLN A 22 4.526 -10.878 4.319 1.00 0.00 C ATOM 334 OE1 GLN A 22 4.251 -11.774 5.119 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.722 -10.817 3.745 1.00 0.00 N ATOM 0 H GLN A 22 1.889 -10.992 1.319 1.00 0.00 H new ATOM 0 HA GLN A 22 1.677 -8.343 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.025 -10.174 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.232 -8.516 2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.584 -8.967 4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.481 -10.246 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.933 -10.069 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.429 -11.519 3.964 1.00 0.00 H new ATOM 344 N LEU A 23 2.482 -6.972 0.624 1.00 0.00 N ATOM 345 CA LEU A 23 2.876 -6.069 -0.442 1.00 0.00 C ATOM 346 C LEU A 23 4.386 -5.905 -0.391 1.00 0.00 C ATOM 347 O LEU A 23 4.885 -5.374 0.605 1.00 0.00 O ATOM 348 CB LEU A 23 2.245 -4.693 -0.175 1.00 0.00 C ATOM 349 CG LEU A 23 0.874 -4.503 -0.822 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.358 -3.108 -0.446 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.917 -4.594 -2.351 1.00 0.00 C ATOM 0 H LEU A 23 2.257 -6.475 1.486 1.00 0.00 H new ATOM 0 HA LEU A 23 2.556 -6.460 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.150 -4.551 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.919 -3.918 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 23 0.226 -5.301 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.621 -2.949 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.275 -3.031 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.053 -2.352 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.086 -4.451 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.578 -3.821 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.290 -5.575 -2.647 1.00 0.00 H new ATOM 363 N SER A 24 5.107 -6.313 -1.440 1.00 0.00 N ATOM 364 CA SER A 24 6.540 -6.083 -1.470 1.00 0.00 C ATOM 365 C SER A 24 6.865 -4.713 -2.059 1.00 0.00 C ATOM 366 O SER A 24 6.051 -4.100 -2.748 1.00 0.00 O ATOM 367 CB SER A 24 7.252 -7.224 -2.181 1.00 0.00 C ATOM 368 OG SER A 24 6.678 -7.446 -3.445 1.00 0.00 O ATOM 0 H SER A 24 4.727 -6.792 -2.257 1.00 0.00 H new ATOM 0 HA SER A 24 6.916 -6.070 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.311 -6.988 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.188 -8.132 -1.581 1.00 0.00 H new ATOM 0 HG SER A 24 6.106 -8.241 -3.410 1.00 0.00 H new ATOM 374 N LYS A 25 8.072 -4.234 -1.758 1.00 0.00 N ATOM 375 CA LYS A 25 8.578 -2.916 -2.099 1.00 0.00 C ATOM 376 C LYS A 25 8.338 -2.599 -3.568 1.00 0.00 C ATOM 377 O LYS A 25 7.659 -1.622 -3.897 1.00 0.00 O ATOM 378 CB LYS A 25 10.034 -2.840 -1.606 1.00 0.00 C ATOM 379 CG LYS A 25 10.880 -1.663 -2.122 1.00 0.00 C ATOM 380 CD LYS A 25 12.239 -1.555 -1.397 1.00 0.00 C ATOM 381 CE LYS A 25 12.125 -0.996 0.037 1.00 0.00 C ATOM 382 NZ LYS A 25 13.404 -1.044 0.781 1.00 0.00 N ATOM 0 H LYS A 25 8.755 -4.789 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 25 8.036 -2.116 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.022 -2.798 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.536 -3.767 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.050 -1.783 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.325 -0.734 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.702 -2.541 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.902 -0.914 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.776 0.036 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.372 -1.564 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.265 -0.656 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.728 -2.030 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.119 -0.480 0.279 1.00 0.00 H new ATOM 396 N GLU A 26 8.830 -3.458 -4.456 1.00 0.00 N ATOM 397 CA GLU A 26 8.611 -3.246 -5.884 1.00 0.00 C ATOM 398 C GLU A 26 7.163 -3.552 -6.340 1.00 0.00 C ATOM 399 O GLU A 26 6.815 -3.165 -7.455 1.00 0.00 O ATOM 400 CB GLU A 26 9.679 -3.974 -6.716 1.00 0.00 C ATOM 401 CG GLU A 26 10.435 -3.014 -7.661 1.00 0.00 C ATOM 402 CD GLU A 26 11.393 -3.724 -8.604 1.00 0.00 C ATOM 403 OE1 GLU A 26 11.757 -4.878 -8.326 1.00 0.00 O ATOM 404 OE2 GLU A 26 11.825 -3.073 -9.596 1.00 0.00 O ATOM 0 H GLU A 26 9.371 -4.290 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 26 8.729 -2.178 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.391 -4.458 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.206 -4.761 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.711 -2.449 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.993 -2.293 -7.064 1.00 0.00 H new ATOM 411 N GLU A 27 6.306 -4.208 -5.534 1.00 0.00 N ATOM 412 CA GLU A 27 4.886 -4.378 -5.869 1.00 0.00 C ATOM 413 C GLU A 27 4.119 -3.094 -5.569 1.00 0.00 C ATOM 414 O GLU A 27 3.246 -2.701 -6.348 1.00 0.00 O ATOM 415 CB GLU A 27 4.222 -5.550 -5.122 1.00 0.00 C ATOM 416 CG GLU A 27 2.868 -5.966 -5.741 1.00 0.00 C ATOM 417 CD GLU A 27 2.881 -6.421 -7.202 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.978 -6.761 -7.706 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.777 -6.444 -7.805 1.00 0.00 O ATOM 0 H GLU A 27 6.577 -4.628 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 27 4.848 -4.608 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.896 -6.406 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.069 -5.270 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.455 -6.775 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.183 -5.122 -5.655 1.00 0.00 H new ATOM 426 N LEU A 28 4.426 -2.446 -4.433 1.00 0.00 N ATOM 427 CA LEU A 28 3.761 -1.209 -4.046 1.00 0.00 C ATOM 428 C LEU A 28 3.683 -0.250 -5.236 1.00 0.00 C ATOM 429 O LEU A 28 2.648 0.359 -5.485 1.00 0.00 O ATOM 430 CB LEU A 28 4.526 -0.593 -2.872 1.00 0.00 C ATOM 431 CG LEU A 28 3.897 0.698 -2.328 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.478 0.476 -1.795 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.779 1.234 -1.196 1.00 0.00 C ATOM 0 H LEU A 28 5.133 -2.766 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 28 2.737 -1.413 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.585 -1.324 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.548 -0.383 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 28 3.831 1.411 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.078 1.419 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.842 0.104 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.503 -0.253 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.344 2.152 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.844 0.490 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.778 1.442 -1.580 1.00 0.00 H new ATOM 445 N LYS A 29 4.769 -0.162 -6.004 1.00 0.00 N ATOM 446 CA LYS A 29 4.817 0.598 -7.241 1.00 0.00 C ATOM 447 C LYS A 29 3.566 0.404 -8.105 1.00 0.00 C ATOM 448 O LYS A 29 2.838 1.362 -8.359 1.00 0.00 O ATOM 449 CB LYS A 29 6.089 0.245 -8.017 1.00 0.00 C ATOM 450 CG LYS A 29 6.031 0.910 -9.393 1.00 0.00 C ATOM 451 CD LYS A 29 7.417 1.114 -9.998 1.00 0.00 C ATOM 452 CE LYS A 29 7.271 2.067 -11.188 1.00 0.00 C ATOM 453 NZ LYS A 29 8.515 2.136 -11.972 1.00 0.00 N ATOM 0 H LYS A 29 5.649 -0.625 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 29 4.839 1.656 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.970 0.584 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.177 -0.836 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.431 0.297 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.529 1.874 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.100 1.529 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.837 0.161 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.454 1.732 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.008 3.062 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.386 2.789 -12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.288 2.478 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.751 1.190 -12.333 1.00 0.00 H new ATOM 467 N LEU A 30 3.341 -0.808 -8.618 1.00 0.00 N ATOM 468 CA LEU A 30 2.242 -1.067 -9.530 1.00 0.00 C ATOM 469 C LEU A 30 0.895 -0.697 -8.898 1.00 0.00 C ATOM 470 O LEU A 30 0.002 -0.176 -9.569 1.00 0.00 O ATOM 471 CB LEU A 30 2.234 -2.500 -10.078 1.00 0.00 C ATOM 472 CG LEU A 30 3.302 -3.533 -9.700 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.894 -4.863 -10.354 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.691 -3.190 -10.237 1.00 0.00 C ATOM 0 H LEU A 30 3.914 -1.626 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 30 2.402 -0.419 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.271 -2.933 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.250 -2.418 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 30 3.358 -3.568 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.630 -5.629 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.916 -5.167 -9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.847 -4.737 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.399 -3.961 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.657 -3.136 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.009 -2.228 -9.836 1.00 0.00 H new ATOM 486 N LEU A 31 0.764 -0.948 -7.595 1.00 0.00 N ATOM 487 CA LEU A 31 -0.372 -0.487 -6.803 1.00 0.00 C ATOM 488 C LEU A 31 -0.590 1.012 -7.028 1.00 0.00 C ATOM 489 O LEU A 31 -1.638 1.439 -7.523 1.00 0.00 O ATOM 490 CB LEU A 31 -0.121 -0.779 -5.313 1.00 0.00 C ATOM 491 CG LEU A 31 -1.388 -1.097 -4.517 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.074 -1.109 -3.025 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.534 -0.126 -4.789 1.00 0.00 C ATOM 0 H LEU A 31 1.449 -1.480 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.270 -1.019 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.568 -1.619 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.371 0.083 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.722 -2.081 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.981 -1.336 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.320 -1.868 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.697 -0.131 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.401 -0.410 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.225 0.885 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.795 -0.159 -5.847 1.00 0.00 H new ATOM 505 N LEU A 32 0.428 1.802 -6.665 1.00 0.00 N ATOM 506 CA LEU A 32 0.388 3.253 -6.768 1.00 0.00 C ATOM 507 C LEU A 32 -0.008 3.646 -8.188 1.00 0.00 C ATOM 508 O LEU A 32 -0.998 4.348 -8.396 1.00 0.00 O ATOM 509 CB LEU A 32 1.754 3.874 -6.427 1.00 0.00 C ATOM 510 CG LEU A 32 2.250 3.637 -4.997 1.00 0.00 C ATOM 511 CD1 LEU A 32 3.690 4.142 -4.873 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.367 4.325 -3.950 1.00 0.00 C ATOM 0 H LEU A 32 1.306 1.443 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.345 3.629 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.496 3.478 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.698 4.949 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 32 2.203 2.565 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.048 3.976 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.326 3.603 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.723 5.208 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.762 4.126 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.360 5.400 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.350 3.939 -4.021 1.00 0.00 H new ATOM 524 N GLN A 33 0.787 3.163 -9.147 1.00 0.00 N ATOM 525 CA GLN A 33 0.691 3.430 -10.558 1.00 0.00 C ATOM 526 C GLN A 33 -0.746 3.307 -11.035 1.00 0.00 C ATOM 527 O GLN A 33 -1.263 4.207 -11.696 1.00 0.00 O ATOM 528 CB GLN A 33 1.529 2.357 -11.246 1.00 0.00 C ATOM 529 CG GLN A 33 3.041 2.553 -11.146 1.00 0.00 C ATOM 530 CD GLN A 33 3.561 3.296 -12.359 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.012 4.433 -12.241 1.00 0.00 O ATOM 532 NE2 GLN A 33 3.479 2.661 -13.522 1.00 0.00 N ATOM 0 H GLN A 33 1.561 2.535 -8.929 1.00 0.00 H new ATOM 0 HA GLN A 33 1.035 4.440 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.275 1.388 -10.816 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.252 2.321 -12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.282 3.109 -10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.535 1.584 -11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.095 1.717 -13.562 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.800 3.117 -14.376 1.00 0.00 H new ATOM 541 N THR A 34 -1.352 2.158 -10.740 1.00 0.00 N ATOM 542 CA THR A 34 -2.647 1.815 -11.280 1.00 0.00 C ATOM 543 C THR A 34 -3.752 2.616 -10.583 1.00 0.00 C ATOM 544 O THR A 34 -4.608 3.182 -11.271 1.00 0.00 O ATOM 545 CB THR A 34 -2.831 0.287 -11.243 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.665 -0.346 -11.764 1.00 0.00 O ATOM 547 CG2 THR A 34 -4.009 -0.148 -12.113 1.00 0.00 C ATOM 0 H THR A 34 -0.954 1.449 -10.123 1.00 0.00 H new ATOM 0 HA THR A 34 -2.716 2.101 -12.330 1.00 0.00 H new ATOM 0 HB THR A 34 -3.011 0.002 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.965 -0.359 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.114 -1.232 -12.067 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.923 0.321 -11.749 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.831 0.156 -13.145 1.00 0.00 H new ATOM 555 N GLU A 35 -3.728 2.686 -9.244 1.00 0.00 N ATOM 556 CA GLU A 35 -4.908 3.040 -8.456 1.00 0.00 C ATOM 557 C GLU A 35 -4.876 4.468 -7.874 1.00 0.00 C ATOM 558 O GLU A 35 -5.956 5.034 -7.681 1.00 0.00 O ATOM 559 CB GLU A 35 -5.101 1.996 -7.345 1.00 0.00 C ATOM 560 CG GLU A 35 -5.053 0.524 -7.805 1.00 0.00 C ATOM 561 CD GLU A 35 -6.215 0.106 -8.697 1.00 0.00 C ATOM 562 OE1 GLU A 35 -6.339 0.615 -9.817 1.00 0.00 O ATOM 563 OE2 GLU A 35 -7.036 -0.730 -8.237 1.00 0.00 O ATOM 0 H GLU A 35 -2.896 2.500 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.759 3.035 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.331 2.148 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.061 2.177 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.119 0.354 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.037 -0.119 -6.925 1.00 0.00 H new ATOM 570 N PHE A 36 -3.688 5.025 -7.559 1.00 0.00 N ATOM 571 CA PHE A 36 -3.527 6.220 -6.711 1.00 0.00 C ATOM 572 C PHE A 36 -2.718 7.359 -7.367 1.00 0.00 C ATOM 573 O PHE A 36 -1.723 7.806 -6.793 1.00 0.00 O ATOM 574 CB PHE A 36 -2.835 5.811 -5.396 1.00 0.00 C ATOM 575 CG PHE A 36 -3.657 4.996 -4.421 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.397 5.661 -3.428 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.477 3.604 -4.340 1.00 0.00 C ATOM 578 CE1 PHE A 36 -4.904 4.953 -2.326 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.043 2.886 -3.272 1.00 0.00 C ATOM 580 CZ PHE A 36 -4.738 3.561 -2.257 1.00 0.00 C ATOM 0 H PHE A 36 -2.801 4.649 -7.893 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.530 6.612 -6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.940 5.242 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.505 6.718 -4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.577 6.723 -3.513 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.905 3.087 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.419 5.478 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.943 1.811 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.145 3.009 -1.423 1.00 0.00 H new ATOM 590 N PRO A 37 -3.136 7.900 -8.523 1.00 0.00 N ATOM 591 CA PRO A 37 -2.387 8.907 -9.281 1.00 0.00 C ATOM 592 C PRO A 37 -1.925 10.144 -8.486 1.00 0.00 C ATOM 593 O PRO A 37 -0.823 10.641 -8.718 1.00 0.00 O ATOM 594 CB PRO A 37 -3.280 9.287 -10.477 1.00 0.00 C ATOM 595 CG PRO A 37 -4.671 8.785 -10.081 1.00 0.00 C ATOM 596 CD PRO A 37 -4.360 7.560 -9.227 1.00 0.00 C ATOM 0 HA PRO A 37 -1.436 8.471 -9.589 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.279 10.363 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.934 8.817 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.228 9.537 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.271 8.527 -10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.171 7.347 -8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.228 6.671 -9.844 1.00 0.00 H new ATOM 604 N SER A 38 -2.754 10.679 -7.586 1.00 0.00 N ATOM 605 CA SER A 38 -2.436 11.883 -6.824 1.00 0.00 C ATOM 606 C SER A 38 -1.574 11.575 -5.598 1.00 0.00 C ATOM 607 O SER A 38 -0.498 12.140 -5.393 1.00 0.00 O ATOM 608 CB SER A 38 -3.757 12.539 -6.413 1.00 0.00 C ATOM 609 OG SER A 38 -4.578 11.568 -5.782 1.00 0.00 O ATOM 0 H SER A 38 -3.669 10.285 -7.366 1.00 0.00 H new ATOM 0 HA SER A 38 -1.850 12.560 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.569 13.371 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.262 12.948 -7.288 1.00 0.00 H new ATOM 0 HG SER A 38 -5.426 11.981 -5.514 1.00 0.00 H new ATOM 615 N LEU A 39 -2.089 10.703 -4.742 1.00 0.00 N ATOM 616 CA LEU A 39 -1.562 10.359 -3.443 1.00 0.00 C ATOM 617 C LEU A 39 -0.152 9.773 -3.525 1.00 0.00 C ATOM 618 O LEU A 39 0.596 9.849 -2.547 1.00 0.00 O ATOM 619 CB LEU A 39 -2.576 9.387 -2.840 1.00 0.00 C ATOM 620 CG LEU A 39 -3.781 10.129 -2.233 1.00 0.00 C ATOM 621 CD1 LEU A 39 -4.963 9.167 -2.072 1.00 0.00 C ATOM 622 CD2 LEU A 39 -3.427 10.738 -0.869 1.00 0.00 C ATOM 0 H LEU A 39 -2.942 10.187 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.442 11.240 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.923 8.698 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.092 8.787 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.055 10.937 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.811 9.701 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.242 8.768 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.678 8.347 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.297 11.256 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.125 9.946 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.607 11.446 -0.988 1.00 0.00 H new ATOM 634 N LEU A 40 0.216 9.216 -4.685 1.00 0.00 N ATOM 635 CA LEU A 40 1.563 8.705 -4.920 1.00 0.00 C ATOM 636 C LEU A 40 2.610 9.794 -5.154 1.00 0.00 C ATOM 637 O LEU A 40 3.798 9.469 -5.164 1.00 0.00 O ATOM 638 CB LEU A 40 1.565 7.676 -6.060 1.00 0.00 C ATOM 639 CG LEU A 40 1.297 8.223 -7.472 1.00 0.00 C ATOM 640 CD1 LEU A 40 2.495 8.906 -8.142 1.00 0.00 C ATOM 641 CD2 LEU A 40 0.909 7.056 -8.382 1.00 0.00 C ATOM 0 H LEU A 40 -0.412 9.109 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 40 1.861 8.211 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.532 7.174 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.813 6.918 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 40 0.515 8.972 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.206 9.258 -9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.817 9.753 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.315 8.194 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.715 7.428 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.724 6.332 -8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.011 6.575 -7.994 1.00 0.00 H new ATOM 653 N LYS A 41 2.211 11.049 -5.418 1.00 0.00 N ATOM 654 CA LYS A 41 3.179 12.114 -5.669 1.00 0.00 C ATOM 655 C LYS A 41 3.850 12.449 -4.326 1.00 0.00 C ATOM 656 O LYS A 41 4.908 11.908 -4.010 1.00 0.00 O ATOM 657 CB LYS A 41 2.507 13.318 -6.357 1.00 0.00 C ATOM 658 CG LYS A 41 1.846 13.014 -7.716 1.00 0.00 C ATOM 659 CD LYS A 41 2.827 12.707 -8.860 1.00 0.00 C ATOM 660 CE LYS A 41 2.088 12.709 -10.214 1.00 0.00 C ATOM 661 NZ LYS A 41 2.844 12.021 -11.283 1.00 0.00 N ATOM 0 H LYS A 41 1.235 11.343 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 41 3.953 11.798 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.750 13.723 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.255 14.097 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.175 12.164 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.231 13.867 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.625 13.449 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.296 11.737 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.118 12.226 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.896 13.739 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.300 12.053 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.759 12.495 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.005 11.030 -11.012 1.00 0.00 H new ATOM 675 N GLY A 42 3.209 13.273 -3.490 1.00 0.00 N ATOM 676 CA GLY A 42 3.519 13.347 -2.069 1.00 0.00 C ATOM 677 C GLY A 42 4.870 14.004 -1.777 1.00 0.00 C ATOM 678 O GLY A 42 4.934 15.187 -1.431 1.00 0.00 O ATOM 0 H GLY A 42 2.463 13.904 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.733 13.907 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.514 12.341 -1.650 1.00 0.00 H new ATOM 682 N GLY A 43 5.953 13.236 -1.899 1.00 0.00 N ATOM 683 CA GLY A 43 7.304 13.658 -1.559 1.00 0.00 C ATOM 684 C GLY A 43 8.199 12.433 -1.437 1.00 0.00 C ATOM 685 O GLY A 43 9.243 12.345 -2.085 1.00 0.00 O ATOM 0 H GLY A 43 5.909 12.278 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.691 14.330 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.298 14.213 -0.621 1.00 0.00 H new ATOM 689 N SER A 44 7.769 11.463 -0.631 1.00 0.00 N ATOM 690 CA SER A 44 8.426 10.175 -0.445 1.00 0.00 C ATOM 691 C SER A 44 8.824 9.536 -1.789 1.00 0.00 C ATOM 692 O SER A 44 8.023 9.507 -2.728 1.00 0.00 O ATOM 693 CB SER A 44 7.471 9.242 0.306 1.00 0.00 C ATOM 694 OG SER A 44 7.147 9.725 1.604 1.00 0.00 O ATOM 0 H SER A 44 6.922 11.559 -0.070 1.00 0.00 H new ATOM 0 HA SER A 44 9.341 10.332 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.555 9.122 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.925 8.255 0.392 1.00 0.00 H new ATOM 0 HG SER A 44 6.535 9.098 2.043 1.00 0.00 H new ATOM 700 N THR A 45 10.048 9.011 -1.896 1.00 0.00 N ATOM 701 CA THR A 45 10.386 8.002 -2.894 1.00 0.00 C ATOM 702 C THR A 45 9.684 6.693 -2.512 1.00 0.00 C ATOM 703 O THR A 45 9.200 6.554 -1.391 1.00 0.00 O ATOM 704 CB THR A 45 11.910 7.807 -2.989 1.00 0.00 C ATOM 705 OG1 THR A 45 12.477 7.524 -1.721 1.00 0.00 O ATOM 706 CG2 THR A 45 12.586 9.050 -3.574 1.00 0.00 C ATOM 0 H THR A 45 10.828 9.275 -1.294 1.00 0.00 H new ATOM 0 HA THR A 45 10.047 8.328 -3.877 1.00 0.00 H new ATOM 0 HB THR A 45 12.081 6.957 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.641 8.363 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.662 8.886 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.195 9.240 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.383 9.909 -2.935 1.00 0.00 H new ATOM 714 N LEU A 46 9.643 5.719 -3.426 1.00 0.00 N ATOM 715 CA LEU A 46 9.070 4.399 -3.163 1.00 0.00 C ATOM 716 C LEU A 46 9.700 3.762 -1.917 1.00 0.00 C ATOM 717 O LEU A 46 9.038 3.076 -1.135 1.00 0.00 O ATOM 718 CB LEU A 46 9.318 3.520 -4.396 1.00 0.00 C ATOM 719 CG LEU A 46 8.614 2.153 -4.358 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.090 2.297 -4.442 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.110 1.315 -5.540 1.00 0.00 C ATOM 0 H LEU A 46 10.008 5.826 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 46 8.001 4.494 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.988 4.060 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.391 3.359 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 46 8.850 1.668 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.629 1.310 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.734 2.889 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.822 2.794 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.620 0.342 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.875 1.827 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.189 1.179 -5.462 1.00 0.00 H new ATOM 733 N ASP A 47 11.001 4.001 -1.760 1.00 0.00 N ATOM 734 CA ASP A 47 11.886 3.447 -0.772 1.00 0.00 C ATOM 735 C ASP A 47 11.520 4.075 0.572 1.00 0.00 C ATOM 736 O ASP A 47 11.136 3.371 1.499 1.00 0.00 O ATOM 737 CB ASP A 47 13.335 3.769 -1.185 1.00 0.00 C ATOM 738 CG ASP A 47 13.673 3.513 -2.657 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.077 4.198 -3.526 1.00 0.00 O ATOM 740 OD2 ASP A 47 14.607 2.709 -2.904 1.00 0.00 O ATOM 0 H ASP A 47 11.492 4.644 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 47 11.794 2.364 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.534 4.817 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.011 3.178 -0.567 1.00 0.00 H new ATOM 745 N GLU A 48 11.586 5.410 0.652 1.00 0.00 N ATOM 746 CA GLU A 48 11.135 6.165 1.813 1.00 0.00 C ATOM 747 C GLU A 48 9.704 5.792 2.191 1.00 0.00 C ATOM 748 O GLU A 48 9.403 5.705 3.382 1.00 0.00 O ATOM 749 CB GLU A 48 11.193 7.665 1.523 1.00 0.00 C ATOM 750 CG GLU A 48 12.627 8.192 1.397 1.00 0.00 C ATOM 751 CD GLU A 48 12.603 9.602 0.837 1.00 0.00 C ATOM 752 OE1 GLU A 48 12.061 9.747 -0.278 1.00 0.00 O ATOM 753 OE2 GLU A 48 13.117 10.544 1.493 1.00 0.00 O ATOM 0 H GLU A 48 11.958 5.995 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 48 11.798 5.920 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.652 7.873 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.682 8.204 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.115 8.185 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.209 7.541 0.745 1.00 0.00 H new ATOM 760 N LEU A 49 8.840 5.614 1.187 1.00 0.00 N ATOM 761 CA LEU A 49 7.435 5.295 1.365 1.00 0.00 C ATOM 762 C LEU A 49 7.292 3.926 2.024 1.00 0.00 C ATOM 763 O LEU A 49 6.790 3.869 3.143 1.00 0.00 O ATOM 764 CB LEU A 49 6.698 5.410 0.025 1.00 0.00 C ATOM 765 CG LEU A 49 5.236 4.953 0.087 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.409 5.746 1.104 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.612 5.102 -1.302 1.00 0.00 C ATOM 0 H LEU A 49 9.113 5.691 0.207 1.00 0.00 H new ATOM 0 HA LEU A 49 6.966 6.013 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.732 6.446 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.224 4.815 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 49 5.229 3.912 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.383 5.379 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.839 5.622 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.416 6.802 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.571 4.780 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.659 6.146 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.161 4.487 -2.015 1.00 0.00 H new ATOM 779 N PHE A 50 7.754 2.840 1.383 1.00 0.00 N ATOM 780 CA PHE A 50 7.890 1.541 2.019 1.00 0.00 C ATOM 781 C PHE A 50 8.470 1.677 3.423 1.00 0.00 C ATOM 782 O PHE A 50 7.999 1.003 4.329 1.00 0.00 O ATOM 783 CB PHE A 50 8.791 0.634 1.177 1.00 0.00 C ATOM 784 CG PHE A 50 8.667 -0.834 1.535 1.00 0.00 C ATOM 785 CD1 PHE A 50 7.666 -1.598 0.911 1.00 0.00 C ATOM 786 CD2 PHE A 50 9.541 -1.442 2.461 1.00 0.00 C ATOM 787 CE1 PHE A 50 7.661 -2.997 1.079 1.00 0.00 C ATOM 788 CE2 PHE A 50 9.568 -2.849 2.582 1.00 0.00 C ATOM 789 CZ PHE A 50 8.701 -3.620 1.796 1.00 0.00 C ATOM 0 H PHE A 50 8.042 2.850 0.405 1.00 0.00 H new ATOM 0 HA PHE A 50 6.897 1.098 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.545 0.766 0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.828 0.945 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.909 -1.118 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.188 -0.833 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.862 -3.590 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.249 -3.325 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.830 -4.691 1.740 1.00 0.00 H new ATOM 799 N GLU A 51 9.470 2.540 3.626 1.00 0.00 N ATOM 800 CA GLU A 51 10.016 2.672 4.978 1.00 0.00 C ATOM 801 C GLU A 51 9.134 3.442 5.963 1.00 0.00 C ATOM 802 O GLU A 51 9.200 3.161 7.159 1.00 0.00 O ATOM 803 CB GLU A 51 11.414 3.284 4.938 1.00 0.00 C ATOM 804 CG GLU A 51 12.420 2.288 4.365 1.00 0.00 C ATOM 805 CD GLU A 51 13.811 2.880 4.355 1.00 0.00 C ATOM 806 OE1 GLU A 51 13.964 4.102 4.133 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.770 2.119 4.608 1.00 0.00 O ATOM 0 H GLU A 51 9.899 3.129 2.913 1.00 0.00 H new ATOM 0 HA GLU A 51 10.058 1.652 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.404 4.189 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.717 3.578 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.413 1.374 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.129 2.012 3.351 1.00 0.00 H new ATOM 814 N GLU A 52 8.316 4.403 5.528 1.00 0.00 N ATOM 815 CA GLU A 52 7.289 4.933 6.412 1.00 0.00 C ATOM 816 C GLU A 52 6.299 3.813 6.741 1.00 0.00 C ATOM 817 O GLU A 52 5.861 3.658 7.883 1.00 0.00 O ATOM 818 CB GLU A 52 6.569 6.125 5.762 1.00 0.00 C ATOM 819 CG GLU A 52 5.433 6.555 6.697 1.00 0.00 C ATOM 820 CD GLU A 52 4.944 7.984 6.496 1.00 0.00 C ATOM 821 OE1 GLU A 52 4.979 8.469 5.343 1.00 0.00 O ATOM 822 OE2 GLU A 52 4.535 8.594 7.519 1.00 0.00 O ATOM 0 H GLU A 52 8.345 4.817 4.596 1.00 0.00 H new ATOM 0 HA GLU A 52 7.750 5.294 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.264 6.949 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.174 5.846 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.592 5.876 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.768 6.443 7.728 1.00 0.00 H new ATOM 829 N LEU A 53 5.933 3.072 5.700 1.00 0.00 N ATOM 830 CA LEU A 53 4.898 2.070 5.719 1.00 0.00 C ATOM 831 C LEU A 53 5.248 0.892 6.628 1.00 0.00 C ATOM 832 O LEU A 53 4.505 0.588 7.562 1.00 0.00 O ATOM 833 CB LEU A 53 4.701 1.565 4.283 1.00 0.00 C ATOM 834 CG LEU A 53 3.626 2.308 3.494 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.762 1.944 2.014 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.239 1.878 3.977 1.00 0.00 C ATOM 0 H LEU A 53 6.375 3.165 4.785 1.00 0.00 H new ATOM 0 HA LEU A 53 3.987 2.520 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.648 1.647 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.444 0.506 4.315 1.00 0.00 H new ATOM 0 HG LEU A 53 3.747 3.382 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.999 2.469 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.750 2.235 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.634 0.869 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.475 2.411 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.118 0.805 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.134 2.111 5.037 1.00 0.00 H new ATOM 848 N ASP A 54 6.335 0.176 6.314 1.00 0.00 N ATOM 849 CA ASP A 54 6.652 -1.094 6.925 1.00 0.00 C ATOM 850 C ASP A 54 7.403 -0.747 8.198 1.00 0.00 C ATOM 851 O ASP A 54 8.372 0.020 8.162 1.00 0.00 O ATOM 852 CB ASP A 54 7.537 -1.966 6.026 1.00 0.00 C ATOM 853 CG ASP A 54 7.671 -3.338 6.661 1.00 0.00 C ATOM 854 OD1 ASP A 54 8.096 -3.460 7.828 1.00 0.00 O ATOM 855 OD2 ASP A 54 7.242 -4.360 6.094 1.00 0.00 O ATOM 0 H ASP A 54 7.018 0.477 5.619 1.00 0.00 H new ATOM 0 HA ASP A 54 5.744 -1.669 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.099 -2.051 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.519 -1.508 5.904 1.00 0.00 H new ATOM 860 N LYS A 55 6.944 -1.257 9.332 1.00 0.00 N ATOM 861 CA LYS A 55 7.589 -0.944 10.596 1.00 0.00 C ATOM 862 C LYS A 55 9.013 -1.517 10.737 1.00 0.00 C ATOM 863 O LYS A 55 9.653 -1.258 11.759 1.00 0.00 O ATOM 864 CB LYS A 55 6.649 -1.238 11.777 1.00 0.00 C ATOM 865 CG LYS A 55 6.993 -0.479 13.077 1.00 0.00 C ATOM 866 CD LYS A 55 7.359 1.011 12.909 1.00 0.00 C ATOM 867 CE LYS A 55 6.250 1.875 12.278 1.00 0.00 C ATOM 868 NZ LYS A 55 6.784 3.127 11.705 1.00 0.00 N ATOM 0 H LYS A 55 6.139 -1.880 9.402 1.00 0.00 H new ATOM 0 HA LYS A 55 7.770 0.131 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.630 -0.987 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.667 -2.309 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.141 -0.550 13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.827 -0.986 13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.611 1.423 13.886 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.255 1.085 12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.746 1.305 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.501 2.112 13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.006 3.679 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.243 3.684 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.480 2.901 10.966 1.00 0.00 H new ATOM 882 N ASN A 56 9.543 -2.234 9.731 1.00 0.00 N ATOM 883 CA ASN A 56 10.937 -2.669 9.684 1.00 0.00 C ATOM 884 C ASN A 56 11.460 -2.867 8.244 1.00 0.00 C ATOM 885 O ASN A 56 12.502 -2.318 7.873 1.00 0.00 O ATOM 886 CB ASN A 56 11.082 -3.926 10.546 1.00 0.00 C ATOM 887 CG ASN A 56 12.528 -4.392 10.695 1.00 0.00 C ATOM 888 OD1 ASN A 56 13.468 -3.738 10.249 1.00 0.00 O ATOM 889 ND2 ASN A 56 12.727 -5.525 11.357 1.00 0.00 N ATOM 0 H ASN A 56 9.001 -2.529 8.919 1.00 0.00 H new ATOM 0 HA ASN A 56 11.568 -1.880 10.092 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.667 -3.730 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.492 -4.730 10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.676 -5.870 11.505 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.931 -6.051 11.718 1.00 0.00 H new ATOM 896 N GLY A 57 10.740 -3.622 7.409 1.00 0.00 N ATOM 897 CA GLY A 57 11.121 -3.905 6.026 1.00 0.00 C ATOM 898 C GLY A 57 11.872 -5.234 5.993 1.00 0.00 C ATOM 899 O GLY A 57 13.103 -5.282 5.881 1.00 0.00 O ATOM 0 H GLY A 57 9.861 -4.061 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.236 -3.954 5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.749 -3.105 5.635 1.00 0.00 H new ATOM 903 N ASP A 58 11.122 -6.325 6.156 1.00 0.00 N ATOM 904 CA ASP A 58 11.587 -7.439 6.990 1.00 0.00 C ATOM 905 C ASP A 58 10.800 -8.712 6.716 1.00 0.00 C ATOM 906 O ASP A 58 10.895 -9.682 7.474 1.00 0.00 O ATOM 907 CB ASP A 58 11.411 -7.077 8.474 1.00 0.00 C ATOM 908 CG ASP A 58 9.946 -7.013 8.895 1.00 0.00 C ATOM 909 OD1 ASP A 58 9.245 -6.086 8.432 1.00 0.00 O ATOM 910 OD2 ASP A 58 9.510 -7.889 9.682 1.00 0.00 O ATOM 0 H ASP A 58 10.205 -6.463 5.731 1.00 0.00 H new ATOM 0 HA ASP A 58 12.636 -7.614 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.929 -7.814 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.883 -6.113 8.667 1.00 0.00 H new ATOM 915 N GLY A 59 9.947 -8.660 5.700 1.00 0.00 N ATOM 916 CA GLY A 59 8.617 -9.196 5.871 1.00 0.00 C ATOM 917 C GLY A 59 7.758 -7.978 5.605 1.00 0.00 C ATOM 918 O GLY A 59 7.595 -7.124 6.473 1.00 0.00 O ATOM 0 H GLY A 59 10.149 -8.265 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.409 -10.005 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.462 -9.595 6.874 1.00 0.00 H new ATOM 922 N GLU A 60 7.360 -7.844 4.352 1.00 0.00 N ATOM 923 CA GLU A 60 7.046 -6.584 3.714 1.00 0.00 C ATOM 924 C GLU A 60 5.702 -6.058 4.221 1.00 0.00 C ATOM 925 O GLU A 60 5.222 -6.485 5.272 1.00 0.00 O ATOM 926 CB GLU A 60 7.023 -6.809 2.193 1.00 0.00 C ATOM 927 CG GLU A 60 8.233 -7.552 1.614 1.00 0.00 C ATOM 928 CD GLU A 60 7.959 -9.039 1.492 1.00 0.00 C ATOM 929 OE1 GLU A 60 8.139 -9.714 2.530 1.00 0.00 O ATOM 930 OE2 GLU A 60 7.602 -9.516 0.391 1.00 0.00 O ATOM 0 H GLU A 60 7.243 -8.643 3.729 1.00 0.00 H new ATOM 0 HA GLU A 60 7.799 -5.834 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.122 -7.367 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.946 -5.839 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.478 -7.144 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.101 -7.391 2.253 1.00 0.00 H new ATOM 937 N VAL A 61 5.070 -5.132 3.501 1.00 0.00 N ATOM 938 CA VAL A 61 3.913 -4.448 4.056 1.00 0.00 C ATOM 939 C VAL A 61 2.788 -5.477 4.051 1.00 0.00 C ATOM 940 O VAL A 61 2.817 -6.422 3.277 1.00 0.00 O ATOM 941 CB VAL A 61 3.604 -3.186 3.227 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.260 -2.525 3.550 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.727 -2.162 3.394 1.00 0.00 C ATOM 0 H VAL A 61 5.333 -4.847 2.558 1.00 0.00 H new ATOM 0 HA VAL A 61 4.070 -4.088 5.073 1.00 0.00 H new ATOM 0 HB VAL A 61 3.534 -3.526 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.126 -1.646 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.452 -3.232 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.244 -2.226 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.500 -1.274 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.816 -1.887 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.667 -2.594 3.052 1.00 0.00 H new ATOM 953 N SER A 62 1.802 -5.324 4.919 1.00 0.00 N ATOM 954 CA SER A 62 0.550 -6.044 4.831 1.00 0.00 C ATOM 955 C SER A 62 -0.515 -5.005 5.136 1.00 0.00 C ATOM 956 O SER A 62 -0.160 -3.898 5.548 1.00 0.00 O ATOM 957 CB SER A 62 0.514 -7.261 5.763 1.00 0.00 C ATOM 958 OG SER A 62 0.735 -6.876 7.104 1.00 0.00 O ATOM 0 H SER A 62 1.853 -4.687 5.714 1.00 0.00 H new ATOM 0 HA SER A 62 0.391 -6.483 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.451 -7.760 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.273 -7.981 5.457 1.00 0.00 H new ATOM 0 HG SER A 62 0.706 -7.668 7.681 1.00 0.00 H new ATOM 964 N PHE A 63 -1.794 -5.335 4.951 1.00 0.00 N ATOM 965 CA PHE A 63 -2.875 -4.421 5.281 1.00 0.00 C ATOM 966 C PHE A 63 -2.650 -3.796 6.660 1.00 0.00 C ATOM 967 O PHE A 63 -2.872 -2.601 6.851 1.00 0.00 O ATOM 968 CB PHE A 63 -4.230 -5.112 5.152 1.00 0.00 C ATOM 969 CG PHE A 63 -5.404 -4.236 5.549 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.958 -3.364 4.597 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.816 -4.148 6.895 1.00 0.00 C ATOM 972 CE1 PHE A 63 -7.065 -2.563 4.936 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.809 -3.221 7.263 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.512 -2.517 6.268 1.00 0.00 C ATOM 0 H PHE A 63 -2.101 -6.231 4.573 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.879 -3.601 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.364 -5.438 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.231 -6.008 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.535 -3.308 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.371 -4.790 7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.569 -1.986 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.031 -3.050 8.306 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.390 -1.944 6.526 1.00 0.00 H new ATOM 984 N GLU A 64 -2.140 -4.595 7.600 1.00 0.00 N ATOM 985 CA GLU A 64 -1.821 -4.154 8.943 1.00 0.00 C ATOM 986 C GLU A 64 -0.940 -2.900 8.982 1.00 0.00 C ATOM 987 O GLU A 64 -1.210 -1.970 9.746 1.00 0.00 O ATOM 988 CB GLU A 64 -1.109 -5.289 9.688 1.00 0.00 C ATOM 989 CG GLU A 64 -1.275 -5.008 11.184 1.00 0.00 C ATOM 990 CD GLU A 64 -1.064 -6.263 12.002 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.042 -7.033 12.144 1.00 0.00 O ATOM 992 OE2 GLU A 64 0.060 -6.427 12.527 1.00 0.00 O ATOM 0 H GLU A 64 -1.937 -5.581 7.438 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.765 -3.893 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.541 -6.255 9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.054 -5.328 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.562 -4.244 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.272 -4.610 11.374 1.00 0.00 H new ATOM 999 N GLU A 65 0.147 -2.900 8.209 1.00 0.00 N ATOM 1000 CA GLU A 65 1.084 -1.786 8.205 1.00 0.00 C ATOM 1001 C GLU A 65 0.524 -0.710 7.283 1.00 0.00 C ATOM 1002 O GLU A 65 0.663 0.481 7.545 1.00 0.00 O ATOM 1003 CB GLU A 65 2.499 -2.181 7.750 1.00 0.00 C ATOM 1004 CG GLU A 65 2.870 -3.637 8.034 1.00 0.00 C ATOM 1005 CD GLU A 65 4.309 -3.821 8.517 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.776 -3.063 9.396 1.00 0.00 O ATOM 1007 OE2 GLU A 65 4.956 -4.778 8.022 1.00 0.00 O ATOM 0 H GLU A 65 0.397 -3.662 7.578 1.00 0.00 H new ATOM 0 HA GLU A 65 1.188 -1.426 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.587 -1.998 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.221 -1.532 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.190 -4.036 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.722 -4.224 7.127 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.159 -1.154 6.222 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.858 -0.284 5.277 1.00 0.00 C ATOM 1016 C PHE A 66 -1.790 0.704 5.991 1.00 0.00 C ATOM 1017 O PHE A 66 -2.061 1.780 5.466 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.626 -1.133 4.249 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.237 -0.387 3.078 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -3.501 0.216 3.217 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -1.624 -0.420 1.813 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -4.062 0.932 2.144 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -2.271 0.149 0.703 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.462 0.872 0.876 1.00 0.00 C ATOM 0 H PHE A 66 -0.241 -2.145 5.994 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.112 0.312 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.947 -1.889 3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.424 -1.662 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.041 0.129 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.655 -0.883 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.951 1.526 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.851 0.030 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.915 1.380 0.037 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.262 0.399 7.204 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.053 1.359 7.971 1.00 0.00 C ATOM 1036 C GLN A 67 -2.311 2.676 8.247 1.00 0.00 C ATOM 1037 O GLN A 67 -2.951 3.695 8.508 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.690 0.721 9.216 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.391 -0.601 8.919 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.383 -0.445 7.775 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.498 0.033 7.976 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -4.983 -0.828 6.571 1.00 0.00 N ATOM 0 H GLN A 67 -2.111 -0.496 7.670 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.888 1.653 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.918 0.555 9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.409 1.418 9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.652 -1.360 8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.911 -0.950 9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.050 -1.220 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.608 -0.731 5.771 1.00 0.00 H new ATOM 1051 N VAL A 68 -0.979 2.695 8.148 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.211 3.935 8.083 1.00 0.00 C ATOM 1053 C VAL A 68 -0.620 4.750 6.848 1.00 0.00 C ATOM 1054 O VAL A 68 -0.819 5.957 6.943 1.00 0.00 O ATOM 1055 CB VAL A 68 1.296 3.632 8.088 1.00 0.00 C ATOM 1056 CG1 VAL A 68 2.124 4.907 7.899 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.715 2.987 9.414 1.00 0.00 C ATOM 0 H VAL A 68 -0.406 1.852 8.111 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.430 4.536 8.965 1.00 0.00 H new ATOM 0 HB VAL A 68 1.483 2.949 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.185 4.657 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.868 5.369 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.909 5.604 8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.785 2.781 9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.490 3.666 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.168 2.055 9.554 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.769 4.113 5.686 1.00 0.00 N ATOM 1068 CA LEU A 69 -1.248 4.766 4.475 1.00 0.00 C ATOM 1069 C LEU A 69 -2.676 5.256 4.722 1.00 0.00 C ATOM 1070 O LEU A 69 -3.003 6.403 4.421 1.00 0.00 O ATOM 1071 CB LEU A 69 -1.203 3.761 3.310 1.00 0.00 C ATOM 1072 CG LEU A 69 -1.005 4.343 1.900 1.00 0.00 C ATOM 1073 CD1 LEU A 69 -2.088 5.355 1.517 1.00 0.00 C ATOM 1074 CD2 LEU A 69 0.384 4.965 1.717 1.00 0.00 C ATOM 0 H LEU A 69 -0.558 3.123 5.562 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.620 5.619 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.396 3.054 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.133 3.193 3.315 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.091 3.492 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.895 5.731 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.064 4.870 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.077 6.185 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.475 5.362 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.519 5.772 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.148 4.204 1.878 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.523 4.393 5.301 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.895 4.772 5.633 1.00 0.00 C ATOM 1088 C VAL A 70 -4.901 5.991 6.564 1.00 0.00 C ATOM 1089 O VAL A 70 -5.794 6.831 6.468 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.701 3.600 6.217 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.183 3.979 6.338 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.620 2.367 5.312 1.00 0.00 C ATOM 0 H VAL A 70 -3.279 3.433 5.546 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.396 5.049 4.706 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.275 3.376 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.741 3.139 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.285 4.843 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.577 4.225 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.199 1.555 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.023 2.610 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.580 2.057 5.211 1.00 0.00 H new ATOM 1102 N LYS A 71 -3.903 6.136 7.438 1.00 0.00 N ATOM 1103 CA LYS A 71 -3.716 7.374 8.152 1.00 0.00 C ATOM 1104 C LYS A 71 -3.326 8.492 7.174 1.00 0.00 C ATOM 1105 O LYS A 71 -3.984 9.524 7.130 1.00 0.00 O ATOM 1106 CB LYS A 71 -2.684 7.146 9.258 1.00 0.00 C ATOM 1107 CG LYS A 71 -2.850 8.205 10.339 1.00 0.00 C ATOM 1108 CD LYS A 71 -1.797 8.023 11.431 1.00 0.00 C ATOM 1109 CE LYS A 71 -1.926 6.751 12.284 1.00 0.00 C ATOM 1110 NZ LYS A 71 -3.293 6.496 12.786 1.00 0.00 N ATOM 0 H LYS A 71 -3.222 5.409 7.659 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.642 7.699 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.809 6.152 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.677 7.190 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.760 9.199 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.848 8.138 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.813 8.025 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.836 8.887 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.603 5.895 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.247 6.826 13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.288 5.651 13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.619 7.316 13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.935 6.341 11.982 1.00 0.00 H new ATOM 1124 N LYS A 72 -2.257 8.311 6.398 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.582 9.325 5.583 1.00 0.00 C ATOM 1126 C LYS A 72 -2.307 9.831 4.343 1.00 0.00 C ATOM 1127 O LYS A 72 -1.940 10.869 3.784 1.00 0.00 O ATOM 1128 CB LYS A 72 -0.102 9.005 5.438 1.00 0.00 C ATOM 1129 CG LYS A 72 0.738 10.154 4.858 1.00 0.00 C ATOM 1130 CD LYS A 72 2.163 10.068 5.415 1.00 0.00 C ATOM 1131 CE LYS A 72 3.079 11.122 4.769 1.00 0.00 C ATOM 1132 NZ LYS A 72 4.460 11.066 5.293 1.00 0.00 N ATOM 0 H LYS A 72 -1.811 7.397 6.316 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.641 10.250 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.297 8.736 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.008 8.130 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.756 10.094 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.291 11.114 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.143 10.213 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.567 9.072 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.097 10.971 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.666 12.115 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.029 11.817 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.446 11.202 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.878 10.140 5.072 1.00 0.00 H new ATOM 1146 N ILE A 73 -3.375 9.156 3.947 1.00 0.00 N ATOM 1147 CA ILE A 73 -4.361 9.810 3.086 1.00 0.00 C ATOM 1148 C ILE A 73 -4.931 11.057 3.804 1.00 0.00 C ATOM 1149 O ILE A 73 -5.091 12.113 3.185 1.00 0.00 O ATOM 1150 CB ILE A 73 -5.463 8.831 2.631 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -6.114 8.099 3.812 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -4.896 7.788 1.656 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -7.473 7.491 3.480 1.00 0.00 C ATOM 0 H ILE A 73 -3.582 8.188 4.195 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.868 10.143 2.173 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.224 9.433 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.445 7.308 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.230 8.797 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.690 7.108 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.490 8.292 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.105 7.222 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.873 6.990 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.158 8.280 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.361 6.768 2.672 1.00 0.00 H new ATOM 1165 N SER A 74 -5.172 10.968 5.120 1.00 0.00 N ATOM 1166 CA SER A 74 -5.588 12.083 5.953 1.00 0.00 C ATOM 1167 C SER A 74 -4.349 12.880 6.383 1.00 0.00 C ATOM 1168 O SER A 74 -4.338 14.105 6.310 1.00 0.00 O ATOM 1169 CB SER A 74 -6.365 11.565 7.183 1.00 0.00 C ATOM 1170 OG SER A 74 -7.419 10.677 6.829 1.00 0.00 O ATOM 0 H SER A 74 -5.078 10.094 5.638 1.00 0.00 H new ATOM 0 HA SER A 74 -6.251 12.738 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.675 11.055 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.777 12.412 7.731 1.00 0.00 H new ATOM 0 HG SER A 74 -7.879 10.376 7.640 1.00 0.00 H new ATOM 1176 N GLN A 75 -3.309 12.185 6.857 1.00 0.00 N ATOM 1177 CA GLN A 75 -2.107 12.763 7.460 1.00 0.00 C ATOM 1178 C GLN A 75 -1.311 13.591 6.447 1.00 0.00 C ATOM 1179 O GLN A 75 -0.134 13.879 6.682 1.00 0.00 O ATOM 1180 CB GLN A 75 -1.235 11.661 8.108 1.00 0.00 C ATOM 1181 CG GLN A 75 -0.719 12.061 9.491 1.00 0.00 C ATOM 1182 CD GLN A 75 -1.748 11.824 10.595 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -3.020 11.651 10.246 1.00 0.00 O flip ATOM 1184 NE2 GLN A 75 -1.395 11.750 11.768 1.00 0.00 N flip ATOM 0 H GLN A 75 -3.282 11.166 6.829 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.423 13.446 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.818 10.744 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.389 11.442 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.185 11.495 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.440 13.115 9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.415 11.886 12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.082 11.553 12.496 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 3.354 -10.720 -1.850 1.00 0.00 CA HETATM 1195 CA CA A 77 7.104 -5.519 8.133 1.00 0.00 CA