USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 0.988 K(o=1.9,f=0.63) USER MOD Set 1.2: A 22 GLN : amide:sc= 0.923 K(o=1.9,f=0.63) USER MOD Set 2.1: A 13 TYR OH : rot 149:sc= 0.466 USER MOD Set 2.2: A 34 THR OG1 : rot 71:sc= 2.01 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0876) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 1.08 (180deg=0.386) USER MOD Single : A 24 SER OG : rot -142:sc= 1.67 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0.709 (180deg=0.686) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.9!) USER MOD Single : A 45 THR OG1 : rot -72:sc= 1.02 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.256 (180deg=-0.912) USER MOD Single : A 56 ASN : amide:sc= 1.17 K(o=1.2,f=-0.33) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.067) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.018) USER MOD Single : A 74 SER OG : rot -38:sc= 0.645 USER MOD Single : A 75 GLN : amide:sc= 0.258 X(o=0.26,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.737 1.984 -5.826 1.00 0.00 N ATOM 37 CA PRO A 3 -11.448 2.541 -5.430 1.00 0.00 C ATOM 38 C PRO A 3 -11.476 3.155 -4.031 1.00 0.00 C ATOM 39 O PRO A 3 -10.525 3.008 -3.272 1.00 0.00 O ATOM 40 CB PRO A 3 -11.107 3.596 -6.485 1.00 0.00 C ATOM 41 CG PRO A 3 -11.798 3.059 -7.733 1.00 0.00 C ATOM 42 CD PRO A 3 -13.075 2.431 -7.173 1.00 0.00 C ATOM 0 HA PRO A 3 -10.695 1.754 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.481 4.581 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.031 3.692 -6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.018 3.853 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.181 2.326 -8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.890 3.154 -7.153 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.405 1.596 -7.791 1.00 0.00 H new ATOM 50 N GLU A 4 -12.572 3.837 -3.689 1.00 0.00 N ATOM 51 CA GLU A 4 -12.802 4.477 -2.421 1.00 0.00 C ATOM 52 C GLU A 4 -12.526 3.541 -1.241 1.00 0.00 C ATOM 53 O GLU A 4 -12.040 3.980 -0.203 1.00 0.00 O ATOM 54 CB GLU A 4 -14.253 4.965 -2.430 1.00 0.00 C ATOM 55 CG GLU A 4 -14.633 5.839 -3.639 1.00 0.00 C ATOM 56 CD GLU A 4 -13.574 6.893 -3.957 1.00 0.00 C ATOM 57 OE1 GLU A 4 -13.401 7.800 -3.113 1.00 0.00 O ATOM 58 OE2 GLU A 4 -12.942 6.755 -5.026 1.00 0.00 O ATOM 0 H GLU A 4 -13.355 3.955 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.114 5.312 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.913 4.098 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.436 5.532 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.780 5.202 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.584 6.333 -3.441 1.00 0.00 H new ATOM 65 N GLU A 5 -12.818 2.247 -1.388 1.00 0.00 N ATOM 66 CA GLU A 5 -12.575 1.282 -0.327 1.00 0.00 C ATOM 67 C GLU A 5 -11.071 1.189 -0.086 1.00 0.00 C ATOM 68 O GLU A 5 -10.585 1.290 1.038 1.00 0.00 O ATOM 69 CB GLU A 5 -13.116 -0.092 -0.729 1.00 0.00 C ATOM 70 CG GLU A 5 -14.614 -0.029 -1.033 1.00 0.00 C ATOM 71 CD GLU A 5 -15.119 -1.375 -1.526 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.530 -1.855 -2.519 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.080 -1.895 -0.920 1.00 0.00 O ATOM 0 H GLU A 5 -13.223 1.848 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.082 1.604 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.579 -0.455 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.935 -0.806 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.160 0.264 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.805 0.735 -1.786 1.00 0.00 H new ATOM 80 N LEU A 6 -10.337 1.006 -1.180 1.00 0.00 N ATOM 81 CA LEU A 6 -8.891 0.859 -1.158 1.00 0.00 C ATOM 82 C LEU A 6 -8.266 2.171 -0.684 1.00 0.00 C ATOM 83 O LEU A 6 -7.276 2.162 0.038 1.00 0.00 O ATOM 84 CB LEU A 6 -8.384 0.377 -2.522 1.00 0.00 C ATOM 85 CG LEU A 6 -8.930 -1.023 -2.879 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.554 -1.379 -4.318 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.397 -2.123 -1.949 1.00 0.00 C ATOM 0 H LEU A 6 -10.738 0.956 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.587 0.090 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.681 1.089 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.294 0.351 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.012 -0.974 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.943 -2.368 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.982 -0.643 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.469 -1.380 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.814 -3.085 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.310 -2.162 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.688 -1.904 -0.922 1.00 0.00 H new ATOM 99 N LYS A 7 -8.859 3.303 -1.061 1.00 0.00 N ATOM 100 CA LYS A 7 -8.450 4.617 -0.603 1.00 0.00 C ATOM 101 C LYS A 7 -8.618 4.690 0.916 1.00 0.00 C ATOM 102 O LYS A 7 -7.711 5.126 1.621 1.00 0.00 O ATOM 103 CB LYS A 7 -9.293 5.675 -1.324 1.00 0.00 C ATOM 104 CG LYS A 7 -8.701 7.080 -1.165 1.00 0.00 C ATOM 105 CD LYS A 7 -9.582 8.105 -1.890 1.00 0.00 C ATOM 106 CE LYS A 7 -8.991 9.518 -1.802 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.915 10.001 -0.411 1.00 0.00 N ATOM 0 H LYS A 7 -9.650 3.326 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.401 4.804 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.360 5.427 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.309 5.662 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.627 7.335 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.690 7.106 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.689 7.819 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.581 8.100 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.994 9.521 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.601 10.203 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.656 11.008 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.840 9.880 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.196 9.456 0.107 1.00 0.00 H new ATOM 121 N GLY A 8 -9.772 4.247 1.419 1.00 0.00 N ATOM 122 CA GLY A 8 -10.070 4.237 2.839 1.00 0.00 C ATOM 123 C GLY A 8 -9.023 3.405 3.567 1.00 0.00 C ATOM 124 O GLY A 8 -8.436 3.854 4.542 1.00 0.00 O ATOM 0 H GLY A 8 -10.529 3.883 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.077 5.255 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.064 3.823 3.011 1.00 0.00 H new ATOM 128 N ILE A 9 -8.781 2.190 3.079 1.00 0.00 N ATOM 129 CA ILE A 9 -7.803 1.261 3.627 1.00 0.00 C ATOM 130 C ILE A 9 -6.404 1.896 3.631 1.00 0.00 C ATOM 131 O ILE A 9 -5.735 1.928 4.664 1.00 0.00 O ATOM 132 CB ILE A 9 -7.879 -0.037 2.808 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.227 -0.750 3.029 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.691 -0.968 3.066 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.291 -1.595 4.305 1.00 0.00 C ATOM 0 H ILE A 9 -9.275 1.817 2.269 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.021 1.024 4.668 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.817 0.244 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.019 -0.002 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.430 -1.392 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.797 -1.869 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.765 -0.459 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.664 -1.240 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.273 -2.062 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.524 -2.368 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.122 -0.957 5.173 1.00 0.00 H new ATOM 147 N PHE A 10 -5.960 2.409 2.480 1.00 0.00 N ATOM 148 CA PHE A 10 -4.678 3.085 2.338 1.00 0.00 C ATOM 149 C PHE A 10 -4.567 4.161 3.417 1.00 0.00 C ATOM 150 O PHE A 10 -3.600 4.187 4.169 1.00 0.00 O ATOM 151 CB PHE A 10 -4.571 3.716 0.940 1.00 0.00 C ATOM 152 CG PHE A 10 -3.395 4.658 0.765 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.510 5.978 1.241 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.122 4.160 0.437 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.382 6.614 1.775 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.984 4.933 0.724 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.111 6.083 1.517 1.00 0.00 C ATOM 0 H PHE A 10 -6.493 2.363 1.611 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.865 2.368 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.496 2.919 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.491 4.261 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.457 6.494 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.019 3.192 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.490 7.503 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.018 4.644 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.232 6.558 1.927 1.00 0.00 H new ATOM 167 N GLU A 11 -5.566 5.046 3.487 1.00 0.00 N ATOM 168 CA GLU A 11 -5.606 6.143 4.440 1.00 0.00 C ATOM 169 C GLU A 11 -5.547 5.610 5.874 1.00 0.00 C ATOM 170 O GLU A 11 -4.800 6.128 6.698 1.00 0.00 O ATOM 171 CB GLU A 11 -6.856 6.991 4.176 1.00 0.00 C ATOM 172 CG GLU A 11 -6.803 8.330 4.921 1.00 0.00 C ATOM 173 CD GLU A 11 -8.004 9.202 4.571 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.068 9.638 3.400 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.841 9.411 5.475 1.00 0.00 O ATOM 0 H GLU A 11 -6.378 5.014 2.871 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.733 6.783 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.952 7.174 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.743 6.438 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.781 8.151 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.882 8.855 4.666 1.00 0.00 H new ATOM 182 N LYS A 12 -6.335 4.575 6.171 1.00 0.00 N ATOM 183 CA LYS A 12 -6.399 3.944 7.479 1.00 0.00 C ATOM 184 C LYS A 12 -4.994 3.546 7.919 1.00 0.00 C ATOM 185 O LYS A 12 -4.579 3.900 9.020 1.00 0.00 O ATOM 186 CB LYS A 12 -7.349 2.737 7.449 1.00 0.00 C ATOM 187 CG LYS A 12 -7.632 2.188 8.855 1.00 0.00 C ATOM 188 CD LYS A 12 -8.540 0.950 8.817 1.00 0.00 C ATOM 189 CE LYS A 12 -7.804 -0.285 8.280 1.00 0.00 C ATOM 190 NZ LYS A 12 -8.650 -1.491 8.325 1.00 0.00 N ATOM 0 H LYS A 12 -6.959 4.146 5.488 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.799 4.650 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.288 3.027 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.914 1.949 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.690 1.932 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.102 2.964 9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.913 0.743 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.408 1.156 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.488 -0.101 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.901 -0.453 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.117 -2.303 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.931 -1.681 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.500 -1.341 7.745 1.00 0.00 H new ATOM 204 N TYR A 13 -4.250 2.817 7.080 1.00 0.00 N ATOM 205 CA TYR A 13 -2.897 2.448 7.465 1.00 0.00 C ATOM 206 C TYR A 13 -1.990 3.680 7.472 1.00 0.00 C ATOM 207 O TYR A 13 -1.254 3.873 8.434 1.00 0.00 O ATOM 208 CB TYR A 13 -2.383 1.260 6.653 1.00 0.00 C ATOM 209 CG TYR A 13 -2.899 -0.054 7.207 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.215 -0.447 6.906 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.119 -0.835 8.087 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.751 -1.607 7.480 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.719 -1.906 8.774 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.026 -2.303 8.458 1.00 0.00 C ATOM 215 OH TYR A 13 -4.614 -3.335 9.120 1.00 0.00 O ATOM 0 H TYR A 13 -4.553 2.484 6.165 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.896 2.083 8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.694 1.366 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.293 1.257 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.814 0.147 6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.072 -0.613 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.722 -1.965 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.171 -2.424 9.547 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.934 -3.998 9.362 1.00 0.00 H new ATOM 225 N ALA A 14 -2.032 4.537 6.445 1.00 0.00 N ATOM 226 CA ALA A 14 -1.199 5.738 6.420 1.00 0.00 C ATOM 227 C ALA A 14 -1.307 6.539 7.723 1.00 0.00 C ATOM 228 O ALA A 14 -0.302 6.986 8.269 1.00 0.00 O ATOM 229 CB ALA A 14 -1.590 6.597 5.220 1.00 0.00 C ATOM 0 H ALA A 14 -2.630 4.420 5.627 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.157 5.432 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.971 7.494 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.440 6.029 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.639 6.882 5.303 1.00 0.00 H new ATOM 235 N ALA A 15 -2.529 6.702 8.236 1.00 0.00 N ATOM 236 CA ALA A 15 -2.820 7.452 9.447 1.00 0.00 C ATOM 237 C ALA A 15 -1.897 7.094 10.615 1.00 0.00 C ATOM 238 O ALA A 15 -1.563 7.972 11.405 1.00 0.00 O ATOM 239 CB ALA A 15 -4.288 7.265 9.838 1.00 0.00 C ATOM 0 H ALA A 15 -3.362 6.302 7.804 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.632 8.502 9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.497 7.830 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.928 7.624 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.486 6.208 10.015 1.00 0.00 H new ATOM 245 N LYS A 16 -1.464 5.835 10.740 1.00 0.00 N ATOM 246 CA LYS A 16 -0.585 5.418 11.822 1.00 0.00 C ATOM 247 C LYS A 16 0.699 6.255 11.831 1.00 0.00 C ATOM 248 O LYS A 16 1.189 6.636 12.891 1.00 0.00 O ATOM 249 CB LYS A 16 -0.270 3.928 11.667 1.00 0.00 C ATOM 250 CG LYS A 16 -0.892 3.045 12.752 1.00 0.00 C ATOM 251 CD LYS A 16 -2.424 2.931 12.681 1.00 0.00 C ATOM 252 CE LYS A 16 -2.942 2.283 11.390 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.329 0.970 11.125 1.00 0.00 N ATOM 0 H LYS A 16 -1.715 5.085 10.095 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.085 5.578 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.623 3.592 10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.811 3.792 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.462 2.046 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.615 3.442 13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.775 2.349 13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.857 3.927 12.775 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.024 2.167 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.743 2.948 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.014 0.360 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.487 1.094 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.053 0.528 12.025 1.00 0.00 H new ATOM 267 N GLU A 17 1.239 6.557 10.647 1.00 0.00 N ATOM 268 CA GLU A 17 2.434 7.378 10.500 1.00 0.00 C ATOM 269 C GLU A 17 2.172 8.858 10.805 1.00 0.00 C ATOM 270 O GLU A 17 3.104 9.653 10.892 1.00 0.00 O ATOM 271 CB GLU A 17 2.909 7.284 9.051 1.00 0.00 C ATOM 272 CG GLU A 17 3.544 5.928 8.726 1.00 0.00 C ATOM 273 CD GLU A 17 4.804 5.662 9.544 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.604 6.611 9.691 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.972 4.499 9.972 1.00 0.00 O ATOM 0 H GLU A 17 0.853 6.234 9.760 1.00 0.00 H new ATOM 0 HA GLU A 17 3.176 7.007 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.064 7.455 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.633 8.076 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.819 5.136 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.789 5.890 7.665 1.00 0.00 H new ATOM 282 N GLY A 18 0.911 9.244 10.935 1.00 0.00 N ATOM 283 CA GLY A 18 0.478 10.603 11.205 1.00 0.00 C ATOM 284 C GLY A 18 0.046 11.215 9.883 1.00 0.00 C ATOM 285 O GLY A 18 -1.094 11.644 9.737 1.00 0.00 O ATOM 0 H GLY A 18 0.132 8.591 10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.347 10.608 11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.287 11.182 11.650 1.00 0.00 H new ATOM 289 N ASP A 19 0.956 11.238 8.907 1.00 0.00 N ATOM 290 CA ASP A 19 0.666 11.747 7.575 1.00 0.00 C ATOM 291 C ASP A 19 -0.379 10.816 6.939 1.00 0.00 C ATOM 292 O ASP A 19 -0.071 9.648 6.716 1.00 0.00 O ATOM 293 CB ASP A 19 1.957 11.793 6.747 1.00 0.00 C ATOM 294 CG ASP A 19 1.718 12.412 5.374 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.931 11.813 4.611 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.320 13.475 5.111 1.00 0.00 O ATOM 0 H ASP A 19 1.913 10.903 9.023 1.00 0.00 H new ATOM 0 HA ASP A 19 0.270 12.762 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.713 12.370 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.351 10.784 6.629 1.00 0.00 H new ATOM 301 N PRO A 20 -1.601 11.280 6.638 1.00 0.00 N ATOM 302 CA PRO A 20 -2.649 10.419 6.107 1.00 0.00 C ATOM 303 C PRO A 20 -2.450 10.057 4.632 1.00 0.00 C ATOM 304 O PRO A 20 -3.183 9.215 4.120 1.00 0.00 O ATOM 305 CB PRO A 20 -3.941 11.213 6.308 1.00 0.00 C ATOM 306 CG PRO A 20 -3.477 12.661 6.163 1.00 0.00 C ATOM 307 CD PRO A 20 -2.096 12.637 6.818 1.00 0.00 C ATOM 0 HA PRO A 20 -2.654 9.458 6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.694 10.954 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.382 11.026 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.425 12.967 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.151 13.355 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.429 13.363 6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.159 12.894 7.875 1.00 0.00 H new ATOM 315 N ASN A 21 -1.495 10.676 3.931 1.00 0.00 N ATOM 316 CA ASN A 21 -1.252 10.438 2.523 1.00 0.00 C ATOM 317 C ASN A 21 -0.099 9.462 2.285 1.00 0.00 C ATOM 318 O ASN A 21 -0.048 8.891 1.201 1.00 0.00 O ATOM 319 CB ASN A 21 -0.998 11.784 1.841 1.00 0.00 C ATOM 320 CG ASN A 21 -0.682 11.599 0.364 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.553 11.319 -0.448 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.574 11.743 -0.015 1.00 0.00 N ATOM 0 H ASN A 21 -0.865 11.365 4.341 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.132 9.963 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.875 12.422 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.169 12.293 2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.828 11.621 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.291 11.977 0.672 1.00 0.00 H new ATOM 329 N GLN A 22 0.814 9.257 3.248 1.00 0.00 N ATOM 330 CA GLN A 22 1.957 8.356 3.085 1.00 0.00 C ATOM 331 C GLN A 22 1.919 7.089 3.953 1.00 0.00 C ATOM 332 O GLN A 22 1.563 7.129 5.124 1.00 0.00 O ATOM 333 CB GLN A 22 3.289 9.059 3.378 1.00 0.00 C ATOM 334 CG GLN A 22 3.908 9.867 2.230 1.00 0.00 C ATOM 335 CD GLN A 22 3.569 11.335 2.420 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.764 11.911 1.703 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.179 11.964 3.410 1.00 0.00 N ATOM 0 H GLN A 22 0.777 9.713 4.160 1.00 0.00 H new ATOM 0 HA GLN A 22 1.881 8.056 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.141 9.729 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.011 8.304 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.989 9.729 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.526 9.513 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.847 11.464 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.981 12.949 3.587 1.00 0.00 H new ATOM 346 N LEU A 23 2.342 5.969 3.357 1.00 0.00 N ATOM 347 CA LEU A 23 2.508 4.657 3.973 1.00 0.00 C ATOM 348 C LEU A 23 3.997 4.361 4.138 1.00 0.00 C ATOM 349 O LEU A 23 4.678 4.187 3.135 1.00 0.00 O ATOM 350 CB LEU A 23 1.969 3.583 3.015 1.00 0.00 C ATOM 351 CG LEU A 23 0.488 3.270 3.178 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.109 2.240 2.104 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.133 2.684 4.545 1.00 0.00 C ATOM 0 H LEU A 23 2.592 5.959 2.368 1.00 0.00 H new ATOM 0 HA LEU A 23 1.987 4.650 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.147 3.908 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.539 2.665 3.162 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.058 4.208 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.949 1.993 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.302 2.657 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.705 1.337 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.938 2.486 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.680 1.754 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.403 3.394 5.327 1.00 0.00 H new ATOM 365 N SER A 24 4.534 4.267 5.354 1.00 0.00 N ATOM 366 CA SER A 24 5.944 3.925 5.494 1.00 0.00 C ATOM 367 C SER A 24 6.162 2.478 5.054 1.00 0.00 C ATOM 368 O SER A 24 5.216 1.698 4.963 1.00 0.00 O ATOM 369 CB SER A 24 6.425 4.128 6.934 1.00 0.00 C ATOM 370 OG SER A 24 5.838 3.165 7.788 1.00 0.00 O ATOM 0 H SER A 24 4.032 4.418 6.229 1.00 0.00 H new ATOM 0 HA SER A 24 6.529 4.589 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.511 4.048 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.166 5.131 7.273 1.00 0.00 H new ATOM 0 HG SER A 24 5.624 3.579 8.650 1.00 0.00 H new ATOM 376 N LYS A 25 7.418 2.108 4.804 1.00 0.00 N ATOM 377 CA LYS A 25 7.786 0.736 4.476 1.00 0.00 C ATOM 378 C LYS A 25 7.213 -0.189 5.551 1.00 0.00 C ATOM 379 O LYS A 25 6.536 -1.176 5.267 1.00 0.00 O ATOM 380 CB LYS A 25 9.315 0.681 4.302 1.00 0.00 C ATOM 381 CG LYS A 25 9.962 -0.665 4.661 1.00 0.00 C ATOM 382 CD LYS A 25 11.488 -0.672 4.497 1.00 0.00 C ATOM 383 CE LYS A 25 11.918 -0.439 3.045 1.00 0.00 C ATOM 384 NZ LYS A 25 13.349 -0.728 2.850 1.00 0.00 N ATOM 0 H LYS A 25 8.207 2.754 4.824 1.00 0.00 H new ATOM 0 HA LYS A 25 7.363 0.388 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.556 0.918 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.764 1.459 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.714 -0.915 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.533 -1.445 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.923 0.101 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.884 -1.627 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.325 -1.071 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.714 0.595 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.632 -0.448 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.909 -0.195 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.518 -1.746 2.977 1.00 0.00 H new ATOM 398 N GLU A 26 7.478 0.174 6.801 1.00 0.00 N ATOM 399 CA GLU A 26 6.965 -0.540 7.959 1.00 0.00 C ATOM 400 C GLU A 26 5.430 -0.589 7.914 1.00 0.00 C ATOM 401 O GLU A 26 4.837 -1.647 8.082 1.00 0.00 O ATOM 402 CB GLU A 26 7.484 0.125 9.244 1.00 0.00 C ATOM 403 CG GLU A 26 7.065 -0.631 10.515 1.00 0.00 C ATOM 404 CD GLU A 26 7.580 -2.068 10.532 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.820 -2.224 10.542 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.729 -2.984 10.525 1.00 0.00 O ATOM 0 H GLU A 26 8.059 0.978 7.038 1.00 0.00 H new ATOM 0 HA GLU A 26 7.321 -1.570 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.572 0.184 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.111 1.148 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.442 -0.102 11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.978 -0.636 10.590 1.00 0.00 H new ATOM 413 N GLU A 27 4.769 0.549 7.688 1.00 0.00 N ATOM 414 CA GLU A 27 3.314 0.607 7.649 1.00 0.00 C ATOM 415 C GLU A 27 2.734 -0.327 6.580 1.00 0.00 C ATOM 416 O GLU A 27 1.744 -1.023 6.816 1.00 0.00 O ATOM 417 CB GLU A 27 2.854 2.059 7.453 1.00 0.00 C ATOM 418 CG GLU A 27 1.375 2.247 7.790 1.00 0.00 C ATOM 419 CD GLU A 27 1.050 1.895 9.238 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.906 2.179 10.104 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.043 1.330 9.454 1.00 0.00 O ATOM 0 H GLU A 27 5.227 1.447 7.529 1.00 0.00 H new ATOM 0 HA GLU A 27 2.929 0.252 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.454 2.716 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.030 2.358 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.093 3.283 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.774 1.626 7.126 1.00 0.00 H new ATOM 428 N LEU A 28 3.347 -0.347 5.396 1.00 0.00 N ATOM 429 CA LEU A 28 2.904 -1.208 4.311 1.00 0.00 C ATOM 430 C LEU A 28 2.858 -2.664 4.778 1.00 0.00 C ATOM 431 O LEU A 28 1.910 -3.373 4.458 1.00 0.00 O ATOM 432 CB LEU A 28 3.840 -1.052 3.104 1.00 0.00 C ATOM 433 CG LEU A 28 3.340 -1.793 1.850 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.098 -1.132 1.239 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.449 -1.842 0.798 1.00 0.00 C ATOM 0 H LEU A 28 4.157 0.230 5.168 1.00 0.00 H new ATOM 0 HA LEU A 28 1.899 -0.914 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.951 0.007 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.829 -1.425 3.369 1.00 0.00 H new ATOM 0 HG LEU A 28 3.065 -2.801 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.784 -1.691 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.291 -1.127 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.335 -0.107 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.089 -2.368 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.736 -0.827 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.313 -2.367 1.205 1.00 0.00 H new ATOM 447 N LYS A 29 3.868 -3.111 5.532 1.00 0.00 N ATOM 448 CA LYS A 29 3.936 -4.488 6.022 1.00 0.00 C ATOM 449 C LYS A 29 2.606 -4.879 6.675 1.00 0.00 C ATOM 450 O LYS A 29 1.899 -5.760 6.186 1.00 0.00 O ATOM 451 CB LYS A 29 5.118 -4.649 6.993 1.00 0.00 C ATOM 452 CG LYS A 29 5.254 -6.061 7.572 1.00 0.00 C ATOM 453 CD LYS A 29 5.867 -7.033 6.561 1.00 0.00 C ATOM 454 CE LYS A 29 5.866 -8.468 7.093 1.00 0.00 C ATOM 455 NZ LYS A 29 6.519 -9.389 6.146 1.00 0.00 N ATOM 0 H LYS A 29 4.657 -2.530 5.817 1.00 0.00 H new ATOM 0 HA LYS A 29 4.105 -5.163 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.041 -4.389 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.002 -3.940 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.875 -6.028 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.273 -6.425 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.307 -6.990 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.889 -6.728 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.382 -8.503 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.840 -8.792 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.503 -10.354 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.011 -9.372 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.504 -9.092 5.997 1.00 0.00 H new ATOM 469 N LEU A 30 2.275 -4.213 7.780 1.00 0.00 N ATOM 470 CA LEU A 30 1.038 -4.422 8.514 1.00 0.00 C ATOM 471 C LEU A 30 -0.174 -4.363 7.575 1.00 0.00 C ATOM 472 O LEU A 30 -1.083 -5.187 7.683 1.00 0.00 O ATOM 473 CB LEU A 30 0.879 -3.452 9.698 1.00 0.00 C ATOM 474 CG LEU A 30 1.975 -2.414 9.972 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.434 -1.362 10.948 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.217 -3.044 10.604 1.00 0.00 C ATOM 0 H LEU A 30 2.875 -3.500 8.195 1.00 0.00 H new ATOM 0 HA LEU A 30 1.090 -5.423 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.056 -2.911 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.764 -4.053 10.600 1.00 0.00 H new ATOM 0 HG LEU A 30 2.255 -1.972 9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.207 -0.620 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.565 -0.871 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.145 -1.846 11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.967 -2.273 10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.946 -3.510 11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.624 -3.799 9.931 1.00 0.00 H new ATOM 488 N LEU A 31 -0.190 -3.397 6.652 1.00 0.00 N ATOM 489 CA LEU A 31 -1.264 -3.249 5.675 1.00 0.00 C ATOM 490 C LEU A 31 -1.481 -4.569 4.939 1.00 0.00 C ATOM 491 O LEU A 31 -2.559 -5.162 4.998 1.00 0.00 O ATOM 492 CB LEU A 31 -0.915 -2.129 4.683 1.00 0.00 C ATOM 493 CG LEU A 31 -2.136 -1.423 4.083 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.680 -0.323 3.136 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.121 -2.332 3.358 1.00 0.00 C ATOM 0 H LEU A 31 0.545 -2.695 6.564 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.187 -2.983 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.294 -1.390 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.317 -2.548 3.874 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.680 -1.019 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.551 0.176 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.077 0.402 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.084 -0.758 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.948 -1.737 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.615 -2.831 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.506 -3.079 4.052 1.00 0.00 H new ATOM 507 N LEU A 32 -0.439 -5.031 4.246 1.00 0.00 N ATOM 508 CA LEU A 32 -0.506 -6.256 3.469 1.00 0.00 C ATOM 509 C LEU A 32 -0.884 -7.423 4.367 1.00 0.00 C ATOM 510 O LEU A 32 -1.761 -8.206 4.016 1.00 0.00 O ATOM 511 CB LEU A 32 0.813 -6.545 2.737 1.00 0.00 C ATOM 512 CG LEU A 32 1.290 -5.399 1.832 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.591 -5.784 1.127 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.242 -5.005 0.794 1.00 0.00 C ATOM 0 H LEU A 32 0.468 -4.565 4.211 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.275 -6.124 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.587 -6.758 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.692 -7.445 2.133 1.00 0.00 H new ATOM 0 HG LEU A 32 1.460 -4.536 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.916 -4.962 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.360 -5.993 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.425 -6.672 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.627 -4.191 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.017 -5.863 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.667 -4.679 1.300 1.00 0.00 H new ATOM 526 N GLN A 33 -0.242 -7.538 5.530 1.00 0.00 N ATOM 527 CA GLN A 33 -0.490 -8.601 6.470 1.00 0.00 C ATOM 528 C GLN A 33 -1.968 -8.675 6.858 1.00 0.00 C ATOM 529 O GLN A 33 -2.529 -9.764 6.922 1.00 0.00 O ATOM 530 CB GLN A 33 0.364 -8.328 7.702 1.00 0.00 C ATOM 531 CG GLN A 33 1.821 -8.770 7.562 1.00 0.00 C ATOM 532 CD GLN A 33 2.569 -8.549 8.873 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.597 -7.453 9.414 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.197 -9.576 9.423 1.00 0.00 N ATOM 0 H GLN A 33 0.473 -6.879 5.838 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.233 -9.559 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.339 -7.260 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.078 -8.838 8.558 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.864 -9.823 7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.303 -8.209 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.173 -10.490 8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.705 -9.453 10.299 1.00 0.00 H new ATOM 543 N THR A 34 -2.593 -7.529 7.133 1.00 0.00 N ATOM 544 CA THR A 34 -3.986 -7.509 7.551 1.00 0.00 C ATOM 545 C THR A 34 -4.947 -7.724 6.380 1.00 0.00 C ATOM 546 O THR A 34 -5.873 -8.525 6.476 1.00 0.00 O ATOM 547 CB THR A 34 -4.336 -6.182 8.253 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.331 -5.766 9.163 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.651 -6.338 9.030 1.00 0.00 C ATOM 0 H THR A 34 -2.155 -6.610 7.073 1.00 0.00 H new ATOM 0 HA THR A 34 -4.106 -8.336 8.250 1.00 0.00 H new ATOM 0 HB THR A 34 -4.425 -5.427 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.538 -5.476 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.895 -5.398 9.525 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.452 -6.603 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.541 -7.124 9.778 1.00 0.00 H new ATOM 557 N GLU A 35 -4.757 -6.976 5.291 1.00 0.00 N ATOM 558 CA GLU A 35 -5.691 -6.963 4.175 1.00 0.00 C ATOM 559 C GLU A 35 -5.501 -8.074 3.146 1.00 0.00 C ATOM 560 O GLU A 35 -6.492 -8.589 2.635 1.00 0.00 O ATOM 561 CB GLU A 35 -5.667 -5.580 3.513 1.00 0.00 C ATOM 562 CG GLU A 35 -5.890 -4.444 4.528 1.00 0.00 C ATOM 563 CD GLU A 35 -7.171 -4.586 5.345 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.198 -4.964 4.739 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.104 -4.295 6.558 1.00 0.00 O ATOM 0 H GLU A 35 -3.951 -6.365 5.163 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.673 -7.170 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.709 -5.435 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.438 -5.534 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.039 -4.406 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.914 -3.494 3.995 1.00 0.00 H new ATOM 572 N PHE A 36 -4.267 -8.450 2.811 1.00 0.00 N ATOM 573 CA PHE A 36 -4.068 -9.477 1.797 1.00 0.00 C ATOM 574 C PHE A 36 -2.644 -10.024 1.950 1.00 0.00 C ATOM 575 O PHE A 36 -1.759 -9.658 1.170 1.00 0.00 O ATOM 576 CB PHE A 36 -4.288 -8.910 0.379 1.00 0.00 C ATOM 577 CG PHE A 36 -4.390 -7.401 0.240 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.206 -6.647 0.294 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.605 -6.766 -0.087 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.202 -5.309 -0.126 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.615 -5.399 -0.418 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.409 -4.679 -0.473 1.00 0.00 C ATOM 0 H PHE A 36 -3.412 -8.069 3.216 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.795 -10.278 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.468 -9.252 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.202 -9.348 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.296 -7.099 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.527 -7.328 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.272 -4.763 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.550 -4.902 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.410 -3.644 -0.781 1.00 0.00 H new ATOM 592 N PRO A 37 -2.391 -10.907 2.932 1.00 0.00 N ATOM 593 CA PRO A 37 -1.072 -11.489 3.135 1.00 0.00 C ATOM 594 C PRO A 37 -0.548 -12.132 1.847 1.00 0.00 C ATOM 595 O PRO A 37 0.657 -12.179 1.628 1.00 0.00 O ATOM 596 CB PRO A 37 -1.214 -12.476 4.299 1.00 0.00 C ATOM 597 CG PRO A 37 -2.718 -12.736 4.393 1.00 0.00 C ATOM 598 CD PRO A 37 -3.331 -11.421 3.914 1.00 0.00 C ATOM 0 HA PRO A 37 -0.326 -10.735 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.662 -13.397 4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.824 -12.056 5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.022 -13.574 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.022 -12.974 5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.315 -11.581 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.462 -10.722 4.740 1.00 0.00 H new ATOM 702 N THR A 45 10.046 -9.859 -1.587 1.00 0.00 N ATOM 703 CA THR A 45 10.101 -9.359 -0.224 1.00 0.00 C ATOM 704 C THR A 45 9.425 -7.994 -0.102 1.00 0.00 C ATOM 705 O THR A 45 9.321 -7.232 -1.063 1.00 0.00 O ATOM 706 CB THR A 45 11.542 -9.289 0.301 1.00 0.00 C ATOM 707 OG1 THR A 45 12.274 -8.330 -0.428 1.00 0.00 O ATOM 708 CG2 THR A 45 12.256 -10.642 0.241 1.00 0.00 C ATOM 0 HA THR A 45 9.553 -10.070 0.394 1.00 0.00 H new ATOM 0 HB THR A 45 11.487 -8.998 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.460 -8.674 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.271 -10.535 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.714 -11.367 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.293 -10.989 -0.792 1.00 0.00 H new ATOM 716 N LEU A 46 8.982 -7.698 1.121 1.00 0.00 N ATOM 717 CA LEU A 46 8.341 -6.448 1.492 1.00 0.00 C ATOM 718 C LEU A 46 9.165 -5.273 0.979 1.00 0.00 C ATOM 719 O LEU A 46 8.621 -4.345 0.401 1.00 0.00 O ATOM 720 CB LEU A 46 8.212 -6.411 3.020 1.00 0.00 C ATOM 721 CG LEU A 46 7.557 -5.157 3.624 1.00 0.00 C ATOM 722 CD1 LEU A 46 8.457 -3.918 3.676 1.00 0.00 C ATOM 723 CD2 LEU A 46 6.205 -4.824 2.985 1.00 0.00 C ATOM 0 H LEU A 46 9.065 -8.348 1.903 1.00 0.00 H new ATOM 0 HA LEU A 46 7.349 -6.376 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.637 -7.282 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.209 -6.515 3.449 1.00 0.00 H new ATOM 0 HG LEU A 46 7.382 -5.439 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.907 -3.087 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.337 -4.133 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.768 -3.652 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.792 -3.930 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.341 -4.646 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.519 -5.659 3.129 1.00 0.00 H new ATOM 735 N ASP A 47 10.479 -5.321 1.192 1.00 0.00 N ATOM 736 CA ASP A 47 11.428 -4.302 0.803 1.00 0.00 C ATOM 737 C ASP A 47 11.381 -4.122 -0.702 1.00 0.00 C ATOM 738 O ASP A 47 11.174 -3.011 -1.158 1.00 0.00 O ATOM 739 CB ASP A 47 12.837 -4.670 1.279 1.00 0.00 C ATOM 740 CG ASP A 47 12.916 -4.677 2.801 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.530 -5.718 3.378 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.334 -3.638 3.356 1.00 0.00 O ATOM 0 H ASP A 47 10.922 -6.110 1.662 1.00 0.00 H new ATOM 0 HA ASP A 47 11.162 -3.356 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.110 -5.652 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.558 -3.958 0.877 1.00 0.00 H new ATOM 747 N GLU A 48 11.560 -5.189 -1.480 1.00 0.00 N ATOM 748 CA GLU A 48 11.526 -5.098 -2.935 1.00 0.00 C ATOM 749 C GLU A 48 10.201 -4.490 -3.403 1.00 0.00 C ATOM 750 O GLU A 48 10.172 -3.560 -4.207 1.00 0.00 O ATOM 751 CB GLU A 48 11.718 -6.494 -3.536 1.00 0.00 C ATOM 752 CG GLU A 48 13.126 -7.029 -3.251 1.00 0.00 C ATOM 753 CD GLU A 48 13.227 -8.498 -3.642 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.532 -9.294 -2.970 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.977 -8.795 -4.596 1.00 0.00 O ATOM 0 H GLU A 48 11.731 -6.129 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 48 12.334 -4.448 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.976 -7.177 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.551 -6.456 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.862 -6.447 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.359 -6.911 -2.193 1.00 0.00 H new ATOM 762 N LEU A 49 9.098 -5.025 -2.885 1.00 0.00 N ATOM 763 CA LEU A 49 7.758 -4.582 -3.223 1.00 0.00 C ATOM 764 C LEU A 49 7.589 -3.092 -2.911 1.00 0.00 C ATOM 765 O LEU A 49 7.273 -2.293 -3.788 1.00 0.00 O ATOM 766 CB LEU A 49 6.764 -5.496 -2.495 1.00 0.00 C ATOM 767 CG LEU A 49 5.315 -5.018 -2.569 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.826 -4.872 -4.016 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.417 -6.020 -1.836 1.00 0.00 C ATOM 0 H LEU A 49 9.116 -5.789 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 49 7.564 -4.666 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.828 -6.498 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.057 -5.575 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 49 5.266 -4.035 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.791 -4.530 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.449 -4.146 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.890 -5.836 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.381 -5.684 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.504 -6.999 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.726 -6.091 -0.793 1.00 0.00 H new ATOM 781 N PHE A 50 7.821 -2.707 -1.661 1.00 0.00 N ATOM 782 CA PHE A 50 7.773 -1.342 -1.198 1.00 0.00 C ATOM 783 C PHE A 50 8.711 -0.501 -2.057 1.00 0.00 C ATOM 784 O PHE A 50 8.372 0.624 -2.382 1.00 0.00 O ATOM 785 CB PHE A 50 8.222 -1.314 0.266 1.00 0.00 C ATOM 786 CG PHE A 50 8.635 0.058 0.724 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.675 0.982 1.157 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.954 0.469 0.484 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.070 2.290 1.480 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.323 1.808 0.696 1.00 0.00 C ATOM 791 CZ PHE A 50 9.389 2.708 1.233 1.00 0.00 C ATOM 0 H PHE A 50 8.056 -3.369 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 50 6.763 -0.938 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.409 -1.673 0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.057 -2.003 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.639 0.690 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.687 -0.244 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.360 2.975 1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.319 2.143 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.684 3.723 1.457 1.00 0.00 H new ATOM 801 N GLU A 51 9.888 -1.014 -2.426 1.00 0.00 N ATOM 802 CA GLU A 51 10.812 -0.223 -3.237 1.00 0.00 C ATOM 803 C GLU A 51 10.200 0.058 -4.606 1.00 0.00 C ATOM 804 O GLU A 51 10.281 1.184 -5.085 1.00 0.00 O ATOM 805 CB GLU A 51 12.200 -0.873 -3.351 1.00 0.00 C ATOM 806 CG GLU A 51 13.068 -0.683 -2.094 1.00 0.00 C ATOM 807 CD GLU A 51 13.420 0.774 -1.804 1.00 0.00 C ATOM 808 OE1 GLU A 51 13.684 1.510 -2.780 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.430 1.119 -0.603 1.00 0.00 O ATOM 0 H GLU A 51 10.216 -1.949 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 51 10.971 0.728 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.079 -1.939 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.721 -0.452 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.542 -1.098 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.989 -1.254 -2.210 1.00 0.00 H new ATOM 816 N GLU A 52 9.569 -0.941 -5.231 1.00 0.00 N ATOM 817 CA GLU A 52 8.902 -0.731 -6.510 1.00 0.00 C ATOM 818 C GLU A 52 7.841 0.349 -6.305 1.00 0.00 C ATOM 819 O GLU A 52 7.704 1.285 -7.088 1.00 0.00 O ATOM 820 CB GLU A 52 8.266 -2.050 -6.977 1.00 0.00 C ATOM 821 CG GLU A 52 7.220 -1.849 -8.086 1.00 0.00 C ATOM 822 CD GLU A 52 6.633 -3.184 -8.529 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.760 -3.692 -7.790 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.071 -3.678 -9.590 1.00 0.00 O ATOM 0 H GLU A 52 9.509 -1.894 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 52 9.607 -0.411 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.049 -2.717 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.796 -2.542 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.423 -1.198 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.679 -1.349 -8.938 1.00 0.00 H new ATOM 831 N LEU A 53 7.079 0.181 -5.230 1.00 0.00 N ATOM 832 CA LEU A 53 5.995 1.055 -4.836 1.00 0.00 C ATOM 833 C LEU A 53 6.451 2.475 -4.481 1.00 0.00 C ATOM 834 O LEU A 53 5.727 3.420 -4.770 1.00 0.00 O ATOM 835 CB LEU A 53 5.273 0.389 -3.661 1.00 0.00 C ATOM 836 CG LEU A 53 4.331 -0.736 -4.102 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.979 -1.553 -2.859 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.048 -0.202 -4.750 1.00 0.00 C ATOM 0 H LEU A 53 7.210 -0.601 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 53 5.323 1.186 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.012 -0.013 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.702 1.142 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 53 4.833 -1.344 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.307 -2.366 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.890 -1.967 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.489 -0.910 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.414 -1.038 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.513 0.424 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.303 0.388 -5.630 1.00 0.00 H new ATOM 850 N ASP A 54 7.616 2.670 -3.858 1.00 0.00 N ATOM 851 CA ASP A 54 8.118 3.981 -3.454 1.00 0.00 C ATOM 852 C ASP A 54 8.678 4.689 -4.688 1.00 0.00 C ATOM 853 O ASP A 54 9.861 5.017 -4.749 1.00 0.00 O ATOM 854 CB ASP A 54 9.165 3.816 -2.333 1.00 0.00 C ATOM 855 CG ASP A 54 9.654 5.147 -1.748 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.189 6.211 -2.214 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.504 5.101 -0.829 1.00 0.00 O ATOM 0 H ASP A 54 8.247 1.905 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 54 7.318 4.599 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.736 3.213 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.020 3.265 -2.724 1.00 0.00 H new ATOM 862 N LYS A 55 7.818 4.932 -5.679 1.00 0.00 N ATOM 863 CA LYS A 55 8.189 5.555 -6.939 1.00 0.00 C ATOM 864 C LYS A 55 8.833 6.918 -6.704 1.00 0.00 C ATOM 865 O LYS A 55 9.769 7.291 -7.405 1.00 0.00 O ATOM 866 CB LYS A 55 6.961 5.673 -7.855 1.00 0.00 C ATOM 867 CG LYS A 55 6.369 4.316 -8.266 1.00 0.00 C ATOM 868 CD LYS A 55 6.844 3.805 -9.636 1.00 0.00 C ATOM 869 CE LYS A 55 8.351 3.532 -9.722 1.00 0.00 C ATOM 870 NZ LYS A 55 9.130 4.735 -10.071 1.00 0.00 N ATOM 0 H LYS A 55 6.828 4.695 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 55 8.926 4.923 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.193 6.256 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.239 6.226 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.625 3.577 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.282 4.396 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.307 2.887 -9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.576 4.538 -10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.700 3.143 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.534 2.758 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.698 4.546 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.482 5.527 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.760 4.982 -9.281 1.00 0.00 H new ATOM 884 N ASN A 56 8.328 7.660 -5.718 1.00 0.00 N ATOM 885 CA ASN A 56 8.854 8.973 -5.382 1.00 0.00 C ATOM 886 C ASN A 56 10.210 8.881 -4.669 1.00 0.00 C ATOM 887 O ASN A 56 10.953 9.855 -4.663 1.00 0.00 O ATOM 888 CB ASN A 56 7.830 9.731 -4.531 1.00 0.00 C ATOM 889 CG ASN A 56 8.208 11.202 -4.367 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.576 11.877 -5.317 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.110 11.746 -3.165 1.00 0.00 N ATOM 0 H ASN A 56 7.545 7.364 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 56 9.026 9.522 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.846 9.658 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.755 9.263 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.342 12.730 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.803 11.181 -2.373 1.00 0.00 H new ATOM 898 N GLY A 57 10.545 7.736 -4.062 1.00 0.00 N ATOM 899 CA GLY A 57 11.798 7.542 -3.350 1.00 0.00 C ATOM 900 C GLY A 57 11.848 8.492 -2.161 1.00 0.00 C ATOM 901 O GLY A 57 12.699 9.377 -2.122 1.00 0.00 O ATOM 0 H GLY A 57 9.942 6.914 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.881 6.510 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.641 7.728 -4.015 1.00 0.00 H new ATOM 905 N ASP A 58 10.938 8.322 -1.192 1.00 0.00 N ATOM 906 CA ASP A 58 10.862 9.229 -0.044 1.00 0.00 C ATOM 907 C ASP A 58 10.792 8.507 1.296 1.00 0.00 C ATOM 908 O ASP A 58 10.599 9.150 2.323 1.00 0.00 O ATOM 909 CB ASP A 58 9.703 10.223 -0.232 1.00 0.00 C ATOM 910 CG ASP A 58 8.317 9.582 -0.278 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.117 8.569 0.422 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.467 10.132 -1.010 1.00 0.00 O ATOM 0 H ASP A 58 10.250 7.569 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 58 11.797 9.788 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.727 10.947 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.863 10.777 -1.157 1.00 0.00 H new ATOM 917 N GLY A 59 10.934 7.181 1.304 1.00 0.00 N ATOM 918 CA GLY A 59 10.889 6.413 2.540 1.00 0.00 C ATOM 919 C GLY A 59 9.490 5.862 2.784 1.00 0.00 C ATOM 920 O GLY A 59 9.332 4.931 3.573 1.00 0.00 O ATOM 0 H GLY A 59 11.081 6.620 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.604 5.592 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.187 7.045 3.377 1.00 0.00 H new ATOM 924 N GLU A 60 8.476 6.408 2.105 1.00 0.00 N ATOM 925 CA GLU A 60 7.118 5.945 2.184 1.00 0.00 C ATOM 926 C GLU A 60 6.611 5.604 0.779 1.00 0.00 C ATOM 927 O GLU A 60 7.307 5.732 -0.219 1.00 0.00 O ATOM 928 CB GLU A 60 6.253 7.083 2.747 1.00 0.00 C ATOM 929 CG GLU A 60 6.848 7.908 3.902 1.00 0.00 C ATOM 930 CD GLU A 60 6.764 7.194 5.242 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.633 7.141 5.775 1.00 0.00 O ATOM 932 OE2 GLU A 60 7.817 6.712 5.710 1.00 0.00 O ATOM 0 H GLU A 60 8.596 7.201 1.475 1.00 0.00 H new ATOM 0 HA GLU A 60 7.064 5.062 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.017 7.765 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.310 6.655 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.891 8.134 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.323 8.861 3.970 1.00 0.00 H new ATOM 939 N VAL A 61 5.350 5.213 0.737 1.00 0.00 N ATOM 940 CA VAL A 61 4.497 4.955 -0.406 1.00 0.00 C ATOM 941 C VAL A 61 3.386 5.982 -0.180 1.00 0.00 C ATOM 942 O VAL A 61 3.358 6.632 0.862 1.00 0.00 O ATOM 943 CB VAL A 61 3.994 3.490 -0.379 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.911 3.167 -1.418 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.185 2.573 -0.660 1.00 0.00 C ATOM 0 H VAL A 61 4.842 5.050 1.606 1.00 0.00 H new ATOM 0 HA VAL A 61 4.971 5.054 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 61 3.548 3.338 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.619 2.121 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.042 3.802 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.302 3.348 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.856 1.534 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.602 2.808 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.947 2.722 0.105 1.00 0.00 H new ATOM 955 N SER A 62 2.450 6.158 -1.098 1.00 0.00 N ATOM 956 CA SER A 62 1.333 7.068 -0.913 1.00 0.00 C ATOM 957 C SER A 62 0.207 6.521 -1.770 1.00 0.00 C ATOM 958 O SER A 62 0.462 5.635 -2.589 1.00 0.00 O ATOM 959 CB SER A 62 1.680 8.507 -1.304 1.00 0.00 C ATOM 960 OG SER A 62 1.985 8.583 -2.677 1.00 0.00 O ATOM 0 H SER A 62 2.444 5.672 -1.995 1.00 0.00 H new ATOM 0 HA SER A 62 1.052 7.120 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.842 9.165 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.529 8.855 -0.716 1.00 0.00 H new ATOM 0 HG SER A 62 2.203 9.509 -2.913 1.00 0.00 H new ATOM 966 N PHE A 63 -1.016 7.027 -1.609 1.00 0.00 N ATOM 967 CA PHE A 63 -2.131 6.558 -2.420 1.00 0.00 C ATOM 968 C PHE A 63 -1.776 6.619 -3.908 1.00 0.00 C ATOM 969 O PHE A 63 -2.160 5.729 -4.661 1.00 0.00 O ATOM 970 CB PHE A 63 -3.425 7.280 -2.063 1.00 0.00 C ATOM 971 CG PHE A 63 -4.623 6.861 -2.894 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.356 5.722 -2.517 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.894 7.483 -4.129 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.463 5.311 -3.284 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.937 7.004 -4.943 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.793 5.996 -4.463 1.00 0.00 C ATOM 0 H PHE A 63 -1.254 7.752 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.318 5.508 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.648 7.103 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.273 8.353 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.070 5.162 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.302 8.327 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.058 4.468 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.080 7.409 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.698 5.751 -4.999 1.00 0.00 H new ATOM 986 N GLU A 64 -1.021 7.649 -4.307 1.00 0.00 N ATOM 987 CA GLU A 64 -0.548 7.859 -5.667 1.00 0.00 C ATOM 988 C GLU A 64 0.068 6.563 -6.210 1.00 0.00 C ATOM 989 O GLU A 64 -0.525 5.868 -7.032 1.00 0.00 O ATOM 990 CB GLU A 64 0.464 9.026 -5.659 1.00 0.00 C ATOM 991 CG GLU A 64 0.758 9.551 -7.071 1.00 0.00 C ATOM 992 CD GLU A 64 -0.474 10.170 -7.724 1.00 0.00 C ATOM 993 OE1 GLU A 64 -0.886 11.250 -7.248 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.988 9.545 -8.676 1.00 0.00 O ATOM 0 H GLU A 64 -0.716 8.380 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.374 8.123 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.074 9.838 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.394 8.695 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.553 10.295 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.124 8.733 -7.692 1.00 0.00 H new ATOM 1001 N GLU A 65 1.268 6.227 -5.730 1.00 0.00 N ATOM 1002 CA GLU A 65 1.973 5.019 -6.129 1.00 0.00 C ATOM 1003 C GLU A 65 1.099 3.800 -5.850 1.00 0.00 C ATOM 1004 O GLU A 65 1.080 2.861 -6.640 1.00 0.00 O ATOM 1005 CB GLU A 65 3.308 4.824 -5.393 1.00 0.00 C ATOM 1006 CG GLU A 65 3.699 5.830 -4.306 1.00 0.00 C ATOM 1007 CD GLU A 65 4.527 6.995 -4.836 1.00 0.00 C ATOM 1008 OE1 GLU A 65 3.892 7.951 -5.328 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.771 6.915 -4.726 1.00 0.00 O ATOM 0 H GLU A 65 1.776 6.793 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 65 2.188 5.127 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.294 3.834 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.101 4.820 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.795 6.219 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.264 5.315 -3.529 1.00 0.00 H new ATOM 1016 N PHE A 66 0.386 3.803 -4.718 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.484 2.696 -4.343 1.00 0.00 C ATOM 1018 C PHE A 66 -1.446 2.295 -5.472 1.00 0.00 C ATOM 1019 O PHE A 66 -1.863 1.144 -5.518 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.227 3.004 -3.042 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.952 1.828 -2.429 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.278 0.956 -1.555 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.307 1.613 -2.732 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.966 -0.121 -0.970 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.970 0.490 -2.207 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.311 -0.357 -1.299 1.00 0.00 C ATOM 0 H PHE A 66 0.399 4.569 -4.045 1.00 0.00 H new ATOM 0 HA PHE A 66 0.153 1.829 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.512 3.390 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.949 3.798 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.233 1.114 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.837 2.308 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.461 -0.767 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.987 0.278 -2.502 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.838 -1.188 -0.855 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.802 3.183 -6.411 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.664 2.757 -7.515 1.00 0.00 C ATOM 1038 C GLN A 67 -2.029 1.611 -8.318 1.00 0.00 C ATOM 1039 O GLN A 67 -2.734 0.779 -8.888 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.210 3.937 -8.336 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.833 5.017 -7.449 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.831 4.404 -6.482 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.958 4.085 -6.837 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.429 4.220 -5.237 1.00 0.00 N ATOM 0 H GLN A 67 -1.518 4.163 -6.429 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.569 2.320 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.403 4.373 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.957 3.572 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.051 5.535 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.330 5.763 -8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.486 4.492 -4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.062 3.806 -4.553 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.697 1.516 -8.320 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.005 0.394 -8.937 1.00 0.00 C ATOM 1055 C VAL A 68 -0.446 -0.869 -8.186 1.00 0.00 C ATOM 1056 O VAL A 68 -0.774 -1.870 -8.809 1.00 0.00 O ATOM 1057 CB VAL A 68 1.521 0.598 -8.889 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.260 -0.610 -9.478 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.928 1.850 -9.677 1.00 0.00 C ATOM 0 H VAL A 68 -0.079 2.209 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.260 0.304 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 68 1.796 0.715 -7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.335 -0.437 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.010 -1.504 -8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.960 -0.749 -10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.010 1.974 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.621 1.741 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.443 2.725 -9.245 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.488 -0.817 -6.849 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.918 -1.909 -5.977 1.00 0.00 C ATOM 1071 C LEU A 69 -2.382 -2.235 -6.303 1.00 0.00 C ATOM 1072 O LEU A 69 -2.730 -3.402 -6.473 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.713 -1.484 -4.507 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.611 -2.595 -3.452 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.943 -3.314 -3.246 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.491 -3.614 -3.759 1.00 0.00 C ATOM 0 H LEU A 69 -0.213 0.017 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.330 -2.813 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.197 -0.886 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.540 -0.831 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.341 -2.088 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.824 -4.092 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.695 -2.598 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.262 -3.766 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.513 -4.373 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.291 -4.088 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.455 -3.107 -3.799 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.239 -1.209 -6.417 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.646 -1.381 -6.792 1.00 0.00 C ATOM 1090 C VAL A 70 -4.751 -2.204 -8.079 1.00 0.00 C ATOM 1091 O VAL A 70 -5.640 -3.038 -8.205 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.384 -0.034 -6.921 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.824 -0.238 -7.408 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.411 0.699 -5.575 1.00 0.00 C ATOM 0 H VAL A 70 -2.974 -0.238 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.141 -1.926 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.842 0.566 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.321 0.729 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.813 -0.724 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.363 -0.864 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.936 1.647 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.926 0.085 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.390 0.887 -5.243 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.854 -1.998 -9.042 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.858 -2.827 -10.237 1.00 0.00 C ATOM 1106 C LYS A 71 -3.303 -4.213 -9.870 1.00 0.00 C ATOM 1107 O LYS A 71 -3.861 -5.245 -10.241 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.035 -2.150 -11.343 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.081 -2.941 -12.656 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.271 -2.214 -13.736 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.302 -2.962 -15.076 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.645 -4.279 -14.989 1.00 0.00 N ATOM 0 H LYS A 71 -3.131 -1.279 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.871 -2.950 -10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.415 -1.142 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.000 -2.050 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.679 -3.942 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.114 -3.059 -12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.669 -1.208 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.238 -2.106 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.336 -3.093 -15.394 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.808 -2.360 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.567 -4.692 -15.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.695 -4.167 -14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.209 -4.909 -14.383 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.184 -4.235 -9.142 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.451 -5.428 -8.758 1.00 0.00 C ATOM 1128 C LYS A 72 -2.237 -6.492 -8.005 1.00 0.00 C ATOM 1129 O LYS A 72 -1.960 -7.679 -8.142 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.064 -5.094 -8.211 1.00 0.00 C ATOM 1131 CG LYS A 72 0.435 -5.842 -6.970 1.00 0.00 C ATOM 1132 CD LYS A 72 1.140 -7.120 -7.429 1.00 0.00 C ATOM 1133 CE LYS A 72 1.409 -8.092 -6.277 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.215 -7.479 -5.205 1.00 0.00 N ATOM 0 H LYS A 72 -1.751 -3.380 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.272 -5.968 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.657 -5.263 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.045 -4.028 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.120 -5.215 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.399 -6.084 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.529 -7.616 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.084 -6.858 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.460 -8.435 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.926 -8.972 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.443 -8.197 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.096 -7.099 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.675 -6.708 -4.763 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.232 -6.088 -7.230 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.089 -7.069 -6.557 1.00 0.00 C ATOM 1150 C ILE A 73 -4.762 -7.966 -7.608 1.00 0.00 C ATOM 1151 O ILE A 73 -5.094 -9.110 -7.312 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.170 -6.426 -5.676 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.824 -5.242 -6.384 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.622 -5.999 -4.311 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.282 -5.072 -5.977 1.00 0.00 C ATOM 0 H ILE A 73 -3.468 -5.112 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.445 -7.652 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.929 -7.188 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.273 -4.331 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.762 -5.385 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.422 -5.550 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.232 -6.871 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.822 -5.272 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.710 -4.219 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.839 -5.973 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.342 -4.902 -4.902 1.00 0.00 H new ATOM 1167 N SER A 74 -4.935 -7.471 -8.840 1.00 0.00 N ATOM 1168 CA SER A 74 -5.489 -8.218 -9.954 1.00 0.00 C ATOM 1169 C SER A 74 -4.317 -8.562 -10.877 1.00 0.00 C ATOM 1170 O SER A 74 -4.460 -8.543 -12.099 1.00 0.00 O ATOM 1171 CB SER A 74 -6.549 -7.359 -10.658 1.00 0.00 C ATOM 1172 OG SER A 74 -7.112 -8.062 -11.748 1.00 0.00 O ATOM 0 H SER A 74 -4.684 -6.514 -9.086 1.00 0.00 H new ATOM 0 HA SER A 74 -5.983 -9.136 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.332 -7.085 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.098 -6.431 -11.010 1.00 0.00 H new ATOM 0 HG SER A 74 -6.415 -8.588 -12.193 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.146 -8.850 -10.305 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.918 -9.168 -11.019 1.00 0.00 C ATOM 1180 C GLN A 75 -1.100 -10.191 -10.230 1.00 0.00 C ATOM 1181 O GLN A 75 -1.495 -10.628 -9.150 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.127 -7.867 -11.235 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.316 -7.866 -12.531 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.138 -7.483 -13.766 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.582 -7.170 -14.809 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.465 -7.476 -13.705 1.00 0.00 N ATOM 0 H GLN A 75 -3.028 -8.867 -9.292 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.148 -9.611 -11.988 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.820 -7.025 -11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.453 -7.714 -10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.517 -7.170 -12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.113 -8.857 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.937 -7.736 -12.839 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.012 -7.211 -14.524 1.00 0.00 H new