USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= -0.906 K(o=-1.8,f=-3.6!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.864 X(o=-1.8,f=-2.1) USER MOD Set 2.1: A 35 TYR OH : rot 154:sc= -0.304 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -9.11! C(o=-9.4!,f=-12!) USER MOD Set 3.1: A 13 GLN : amide:sc= -0.543 K(o=-0.54,f=0.0066) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -15:sc= -2.12 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -6.37! C(o=-6.4!,f=-10!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 36:sc= 1.2 USER MOD Single : A 26 HIS : no HE2:sc= -5.5! C(o=-5.5!,f=-7.4!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 33 THR OG1 : rot 138:sc= 1.47 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 49:sc= -0.304 USER MOD Single : A 63 HIS : no HE2:sc= -3.35! C(o=-3.4!,f=-8.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -88:sc= 0.38 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -80:sc= -1.28 USER MOD Single : A 80 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 3.035 3.176 -8.487 1.00 0.00 N ATOM 18 CA LYS A 5 2.193 4.347 -8.672 1.00 0.00 C ATOM 19 C LYS A 5 2.281 4.808 -10.128 1.00 0.00 C ATOM 20 O LYS A 5 3.361 5.145 -10.611 1.00 0.00 O ATOM 21 CB LYS A 5 2.559 5.433 -7.659 1.00 0.00 C ATOM 22 CG LYS A 5 1.333 6.274 -7.291 1.00 0.00 C ATOM 23 CD LYS A 5 0.297 5.434 -6.542 1.00 0.00 C ATOM 24 CE LYS A 5 -0.801 4.946 -7.490 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.100 5.559 -7.138 1.00 0.00 N ATOM 0 HA LYS A 5 1.149 4.101 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.972 4.974 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.335 6.076 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.639 7.118 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.886 6.687 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.786 4.579 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.146 6.025 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.540 5.198 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.879 3.860 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.834 5.217 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.355 5.298 -6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.027 6.594 -7.211 1.00 0.00 H new ATOM 39 N TYR A 6 1.131 4.810 -10.785 1.00 0.00 N ATOM 40 CA TYR A 6 1.065 5.225 -12.177 1.00 0.00 C ATOM 41 C TYR A 6 0.538 6.657 -12.297 1.00 0.00 C ATOM 42 O TYR A 6 -0.620 6.925 -11.979 1.00 0.00 O ATOM 43 CB TYR A 6 0.078 4.273 -12.853 1.00 0.00 C ATOM 44 CG TYR A 6 0.520 2.808 -12.845 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.787 2.467 -13.272 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.348 1.829 -12.407 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.202 1.089 -13.263 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.067 0.450 -12.399 1.00 0.00 C ATOM 49 CZ TYR A 6 1.323 0.148 -12.827 1.00 0.00 C ATOM 50 OH TYR A 6 1.716 -1.154 -12.818 1.00 0.00 O ATOM 0 H TYR A 6 0.237 4.531 -10.380 1.00 0.00 H new ATOM 0 HA TYR A 6 2.054 5.196 -12.634 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.888 4.353 -12.354 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.069 4.592 -13.885 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.467 3.234 -13.613 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.339 2.097 -12.070 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.191 0.808 -13.595 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.603 -0.327 -12.061 1.00 0.00 H new ATOM 0 HH TYR A 6 0.986 -1.714 -12.481 1.00 0.00 H new ATOM 60 N TYR A 7 1.414 7.539 -12.755 1.00 0.00 N ATOM 61 CA TYR A 7 1.052 8.936 -12.922 1.00 0.00 C ATOM 62 C TYR A 7 0.837 9.275 -14.398 1.00 0.00 C ATOM 63 O TYR A 7 1.462 8.678 -15.273 1.00 0.00 O ATOM 64 CB TYR A 7 2.238 9.745 -12.392 1.00 0.00 C ATOM 65 CG TYR A 7 2.765 9.263 -11.039 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.928 9.233 -9.943 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.079 8.856 -10.916 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.425 8.779 -8.669 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.575 8.402 -9.643 1.00 0.00 C ATOM 70 CZ TYR A 7 3.723 8.386 -8.582 1.00 0.00 C ATOM 71 OH TYR A 7 4.194 7.957 -7.380 1.00 0.00 O ATOM 0 H TYR A 7 2.374 7.313 -13.016 1.00 0.00 H new ATOM 0 HA TYR A 7 0.125 9.158 -12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.047 9.704 -13.121 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.941 10.790 -12.303 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.900 9.550 -10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.734 8.878 -11.774 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.781 8.752 -7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.600 8.081 -9.533 1.00 0.00 H new ATOM 0 HH TYR A 7 3.570 8.219 -6.672 1.00 0.00 H new ATOM 81 N THR A 8 -0.048 10.233 -14.630 1.00 0.00 N ATOM 82 CA THR A 8 -0.352 10.659 -15.985 1.00 0.00 C ATOM 83 C THR A 8 0.760 11.562 -16.523 1.00 0.00 C ATOM 84 O THR A 8 1.430 12.251 -15.756 1.00 0.00 O ATOM 85 CB THR A 8 -1.726 11.331 -15.972 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.778 11.991 -14.711 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.872 10.318 -15.909 1.00 0.00 C ATOM 0 H THR A 8 -0.564 10.726 -13.902 1.00 0.00 H new ATOM 0 HA THR A 8 -0.396 9.809 -16.666 1.00 0.00 H new ATOM 0 HB THR A 8 -1.836 11.950 -16.863 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.636 12.455 -14.620 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.825 10.847 -15.902 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.827 9.663 -16.779 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.781 9.722 -15.001 1.00 0.00 H new ATOM 95 N LEU A 9 0.921 11.528 -17.838 1.00 0.00 N ATOM 96 CA LEU A 9 1.941 12.334 -18.487 1.00 0.00 C ATOM 97 C LEU A 9 1.717 13.807 -18.141 1.00 0.00 C ATOM 98 O LEU A 9 2.608 14.635 -18.329 1.00 0.00 O ATOM 99 CB LEU A 9 1.969 12.053 -19.991 1.00 0.00 C ATOM 100 CG LEU A 9 1.179 13.025 -20.871 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.537 12.844 -22.346 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.325 12.890 -20.624 1.00 0.00 C ATOM 0 H LEU A 9 0.363 10.955 -18.471 1.00 0.00 H new ATOM 0 HA LEU A 9 2.931 12.066 -18.117 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.008 12.057 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.585 11.047 -20.160 1.00 0.00 H new ATOM 0 HG LEU A 9 1.460 14.041 -20.595 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.962 13.547 -22.949 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.601 13.031 -22.488 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.304 11.825 -22.655 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.863 13.592 -21.262 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.642 11.873 -20.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.543 13.109 -19.579 1.00 0.00 H new ATOM 114 N GLU A 10 0.522 14.090 -17.642 1.00 0.00 N ATOM 115 CA GLU A 10 0.170 15.449 -17.268 1.00 0.00 C ATOM 116 C GLU A 10 0.945 15.873 -16.019 1.00 0.00 C ATOM 117 O GLU A 10 1.446 16.994 -15.945 1.00 0.00 O ATOM 118 CB GLU A 10 -1.338 15.585 -17.051 1.00 0.00 C ATOM 119 CG GLU A 10 -1.994 16.339 -18.209 1.00 0.00 C ATOM 120 CD GLU A 10 -2.704 17.599 -17.710 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.635 17.438 -16.890 1.00 0.00 O ATOM 122 OE2 GLU A 10 -2.302 18.693 -18.160 1.00 0.00 O ATOM 0 H GLU A 10 -0.214 13.401 -17.488 1.00 0.00 H new ATOM 0 HA GLU A 10 0.447 16.114 -18.086 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.786 14.596 -16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.528 16.111 -16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.238 16.611 -18.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.710 15.689 -18.712 1.00 0.00 H new ATOM 129 N GLU A 11 1.018 14.954 -15.067 1.00 0.00 N ATOM 130 CA GLU A 11 1.723 15.220 -13.824 1.00 0.00 C ATOM 131 C GLU A 11 3.115 15.787 -14.113 1.00 0.00 C ATOM 132 O GLU A 11 3.370 16.966 -13.871 1.00 0.00 O ATOM 133 CB GLU A 11 1.814 13.957 -12.965 1.00 0.00 C ATOM 134 CG GLU A 11 1.235 14.199 -11.570 1.00 0.00 C ATOM 135 CD GLU A 11 -0.113 13.495 -11.406 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.980 13.717 -12.279 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.247 12.749 -10.412 1.00 0.00 O ATOM 0 H GLU A 11 0.601 14.025 -15.131 1.00 0.00 H new ATOM 0 HA GLU A 11 1.159 15.964 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.275 13.143 -13.450 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.855 13.644 -12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.933 13.837 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.113 15.269 -11.404 1.00 0.00 H new ATOM 144 N ILE A 12 3.976 14.922 -14.627 1.00 0.00 N ATOM 145 CA ILE A 12 5.335 15.322 -14.952 1.00 0.00 C ATOM 146 C ILE A 12 5.336 16.783 -15.407 1.00 0.00 C ATOM 147 O ILE A 12 6.021 17.620 -14.818 1.00 0.00 O ATOM 148 CB ILE A 12 5.947 14.361 -15.972 1.00 0.00 C ATOM 149 CG1 ILE A 12 4.860 13.572 -16.704 1.00 0.00 C ATOM 150 CG2 ILE A 12 6.976 13.441 -15.309 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.625 12.215 -16.038 1.00 0.00 C ATOM 0 H ILE A 12 3.759 13.945 -14.827 1.00 0.00 H new ATOM 0 HA ILE A 12 5.972 15.261 -14.069 1.00 0.00 H new ATOM 0 HB ILE A 12 6.476 14.950 -16.721 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.932 14.144 -16.710 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.150 13.425 -17.744 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.396 12.767 -16.056 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.774 14.042 -14.873 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.491 12.858 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.848 11.674 -16.578 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.548 11.636 -16.056 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.311 12.366 -15.005 1.00 0.00 H new ATOM 163 N GLN A 13 4.562 17.046 -16.450 1.00 0.00 N ATOM 164 CA GLN A 13 4.466 18.391 -16.990 1.00 0.00 C ATOM 165 C GLN A 13 4.329 19.410 -15.856 1.00 0.00 C ATOM 166 O GLN A 13 5.085 20.379 -15.793 1.00 0.00 O ATOM 167 CB GLN A 13 3.299 18.505 -17.974 1.00 0.00 C ATOM 168 CG GLN A 13 3.587 17.724 -19.258 1.00 0.00 C ATOM 169 CD GLN A 13 4.018 18.664 -20.386 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.278 18.939 -21.316 1.00 0.00 O ATOM 171 NE2 GLN A 13 5.253 19.138 -20.253 1.00 0.00 N ATOM 0 H GLN A 13 3.996 16.350 -16.935 1.00 0.00 H new ATOM 0 HA GLN A 13 5.383 18.608 -17.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.389 18.126 -17.510 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.122 19.553 -18.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.370 16.989 -19.073 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.697 17.172 -19.560 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.819 18.867 -19.449 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.634 19.773 -20.955 1.00 0.00 H new ATOM 180 N LYS A 14 3.359 19.157 -14.991 1.00 0.00 N ATOM 181 CA LYS A 14 3.112 20.040 -13.863 1.00 0.00 C ATOM 182 C LYS A 14 4.394 20.174 -13.038 1.00 0.00 C ATOM 183 O LYS A 14 4.751 21.274 -12.616 1.00 0.00 O ATOM 184 CB LYS A 14 1.908 19.552 -13.054 1.00 0.00 C ATOM 185 CG LYS A 14 0.682 19.372 -13.951 1.00 0.00 C ATOM 186 CD LYS A 14 0.418 20.632 -14.779 1.00 0.00 C ATOM 187 CE LYS A 14 -0.865 20.489 -15.599 1.00 0.00 C ATOM 188 NZ LYS A 14 -0.870 21.452 -16.724 1.00 0.00 N ATOM 0 H LYS A 14 2.734 18.353 -15.048 1.00 0.00 H new ATOM 0 HA LYS A 14 2.849 21.039 -14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.150 18.606 -12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.683 20.267 -12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.835 18.521 -14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.191 19.145 -13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.338 21.495 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.261 20.817 -15.445 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.947 19.472 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.732 20.661 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.748 21.342 -17.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.813 22.421 -16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.053 21.270 -17.341 1.00 0.00 H new ATOM 202 N HIS A 15 5.049 19.042 -12.832 1.00 0.00 N ATOM 203 CA HIS A 15 6.284 19.021 -12.065 1.00 0.00 C ATOM 204 C HIS A 15 7.440 19.508 -12.940 1.00 0.00 C ATOM 205 O HIS A 15 8.431 18.799 -13.115 1.00 0.00 O ATOM 206 CB HIS A 15 6.531 17.632 -11.474 1.00 0.00 C ATOM 207 CG HIS A 15 5.269 16.865 -11.158 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.246 17.390 -10.388 1.00 0.00 N ATOM 209 CD2 HIS A 15 4.876 15.610 -11.516 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.286 16.482 -10.293 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.677 15.379 -10.993 1.00 0.00 N ATOM 0 H HIS A 15 4.749 18.132 -13.182 1.00 0.00 H new ATOM 0 HA HIS A 15 6.203 19.703 -11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.131 17.052 -12.175 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.119 17.736 -10.562 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.233 18.318 -9.965 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.444 14.920 -12.123 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.356 16.596 -9.755 1.00 0.00 H new ATOM 219 N LYS A 16 7.276 20.712 -13.467 1.00 0.00 N ATOM 220 CA LYS A 16 8.294 21.301 -14.320 1.00 0.00 C ATOM 221 C LYS A 16 8.959 22.466 -13.584 1.00 0.00 C ATOM 222 O LYS A 16 9.508 23.370 -14.212 1.00 0.00 O ATOM 223 CB LYS A 16 7.700 21.688 -15.676 1.00 0.00 C ATOM 224 CG LYS A 16 7.897 20.569 -16.701 1.00 0.00 C ATOM 225 CD LYS A 16 7.512 21.038 -18.105 1.00 0.00 C ATOM 226 CE LYS A 16 8.715 20.987 -19.050 1.00 0.00 C ATOM 227 NZ LYS A 16 8.346 20.327 -20.323 1.00 0.00 N ATOM 0 H LYS A 16 6.453 21.296 -13.320 1.00 0.00 H new ATOM 0 HA LYS A 16 9.076 20.573 -14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.637 21.900 -15.564 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.171 22.603 -16.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.937 20.244 -16.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.292 19.706 -16.423 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.712 20.409 -18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.124 22.056 -18.059 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.073 21.997 -19.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.534 20.446 -18.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.173 20.301 -20.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.026 19.356 -20.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.579 20.860 -20.781 1.00 0.00 H new ATOM 241 N ASP A 17 8.886 22.408 -12.262 1.00 0.00 N ATOM 242 CA ASP A 17 9.473 23.447 -11.434 1.00 0.00 C ATOM 243 C ASP A 17 10.209 22.802 -10.258 1.00 0.00 C ATOM 244 O ASP A 17 10.085 21.600 -10.028 1.00 0.00 O ATOM 245 CB ASP A 17 8.395 24.373 -10.866 1.00 0.00 C ATOM 246 CG ASP A 17 8.130 25.636 -11.687 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.137 25.516 -12.931 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.924 26.694 -11.052 1.00 0.00 O ATOM 0 H ASP A 17 8.429 21.657 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 17 10.157 24.026 -12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.464 23.812 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.685 24.668 -9.857 1.00 0.00 H new ATOM 253 N SER A 18 10.959 23.629 -9.545 1.00 0.00 N ATOM 254 CA SER A 18 11.716 23.153 -8.399 1.00 0.00 C ATOM 255 C SER A 18 10.777 22.489 -7.391 1.00 0.00 C ATOM 256 O SER A 18 11.045 21.384 -6.922 1.00 0.00 O ATOM 257 CB SER A 18 12.485 24.296 -7.735 1.00 0.00 C ATOM 258 OG SER A 18 13.575 24.744 -8.537 1.00 0.00 O ATOM 0 H SER A 18 11.059 24.626 -9.738 1.00 0.00 H new ATOM 0 HA SER A 18 12.441 22.418 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.807 25.128 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.860 23.966 -6.766 1.00 0.00 H new ATOM 0 HG SER A 18 14.039 25.475 -8.079 1.00 0.00 H new ATOM 264 N LYS A 19 9.695 23.191 -7.088 1.00 0.00 N ATOM 265 CA LYS A 19 8.714 22.684 -6.143 1.00 0.00 C ATOM 266 C LYS A 19 8.488 21.193 -6.401 1.00 0.00 C ATOM 267 O LYS A 19 8.499 20.389 -5.470 1.00 0.00 O ATOM 268 CB LYS A 19 7.433 23.519 -6.200 1.00 0.00 C ATOM 269 CG LYS A 19 7.389 24.533 -5.056 1.00 0.00 C ATOM 270 CD LYS A 19 5.973 25.080 -4.862 1.00 0.00 C ATOM 271 CE LYS A 19 5.958 26.608 -4.943 1.00 0.00 C ATOM 272 NZ LYS A 19 4.738 27.079 -5.635 1.00 0.00 N ATOM 0 H LYS A 19 9.476 24.107 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 19 9.084 22.779 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.377 24.041 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.564 22.863 -6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.730 24.062 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.074 25.354 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.312 24.666 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.585 24.760 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.000 27.032 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.843 26.958 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.744 28.118 -5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.714 26.690 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.897 26.761 -5.112 1.00 0.00 H new ATOM 286 N SER A 20 8.288 20.868 -7.671 1.00 0.00 N ATOM 287 CA SER A 20 8.060 19.488 -8.063 1.00 0.00 C ATOM 288 C SER A 20 8.798 19.187 -9.368 1.00 0.00 C ATOM 289 O SER A 20 8.329 19.541 -10.448 1.00 0.00 O ATOM 290 CB SER A 20 6.566 19.200 -8.220 1.00 0.00 C ATOM 291 OG SER A 20 5.907 19.092 -6.960 1.00 0.00 O ATOM 0 H SER A 20 8.279 21.537 -8.441 1.00 0.00 H new ATOM 0 HA SER A 20 8.447 18.840 -7.276 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.103 19.995 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.432 18.274 -8.780 1.00 0.00 H new ATOM 0 HG SER A 20 4.955 18.910 -7.103 1.00 0.00 H new ATOM 297 N THR A 21 9.943 18.534 -9.226 1.00 0.00 N ATOM 298 CA THR A 21 10.751 18.180 -10.380 1.00 0.00 C ATOM 299 C THR A 21 10.709 16.669 -10.618 1.00 0.00 C ATOM 300 O THR A 21 11.229 15.896 -9.815 1.00 0.00 O ATOM 301 CB THR A 21 12.164 18.719 -10.152 1.00 0.00 C ATOM 302 OG1 THR A 21 12.080 20.088 -10.542 1.00 0.00 O ATOM 303 CG2 THR A 21 13.184 18.118 -11.120 1.00 0.00 C ATOM 0 H THR A 21 10.330 18.241 -8.329 1.00 0.00 H new ATOM 0 HA THR A 21 10.358 18.632 -11.291 1.00 0.00 H new ATOM 0 HB THR A 21 12.471 18.511 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.201 20.445 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.170 18.535 -10.915 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.213 17.036 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.897 18.354 -12.144 1.00 0.00 H new ATOM 311 N TRP A 22 10.085 16.293 -11.725 1.00 0.00 N ATOM 312 CA TRP A 22 9.968 14.889 -12.079 1.00 0.00 C ATOM 313 C TRP A 22 10.699 14.674 -13.406 1.00 0.00 C ATOM 314 O TRP A 22 10.923 15.622 -14.157 1.00 0.00 O ATOM 315 CB TRP A 22 8.502 14.456 -12.127 1.00 0.00 C ATOM 316 CG TRP A 22 7.935 14.026 -10.773 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.392 14.337 -9.551 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.780 13.189 -10.550 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.619 13.764 -8.562 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.608 13.044 -9.189 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.910 12.576 -11.468 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.573 12.289 -8.623 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.881 11.825 -10.888 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.695 11.668 -9.519 1.00 0.00 C ATOM 0 H TRP A 22 9.655 16.937 -12.389 1.00 0.00 H new ATOM 0 HA TRP A 22 10.432 14.260 -11.320 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.903 15.280 -12.515 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.401 13.630 -12.831 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.256 14.958 -9.365 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.763 13.852 -7.556 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.026 12.677 -12.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.459 12.191 -7.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.183 11.333 -11.550 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.876 11.069 -9.148 1.00 0.00 H new ATOM 335 N VAL A 23 11.050 13.420 -13.654 1.00 0.00 N ATOM 336 CA VAL A 23 11.752 13.068 -14.878 1.00 0.00 C ATOM 337 C VAL A 23 11.590 11.569 -15.138 1.00 0.00 C ATOM 338 O VAL A 23 11.995 10.746 -14.319 1.00 0.00 O ATOM 339 CB VAL A 23 13.214 13.506 -14.786 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.881 12.933 -13.533 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.985 13.109 -16.048 1.00 0.00 C ATOM 0 H VAL A 23 10.862 12.636 -13.029 1.00 0.00 H new ATOM 0 HA VAL A 23 11.324 13.594 -15.731 1.00 0.00 H new ATOM 0 HB VAL A 23 13.234 14.593 -14.708 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.920 13.260 -13.492 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.354 13.286 -12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.844 11.844 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.022 13.432 -15.957 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.951 12.026 -16.169 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.531 13.586 -16.917 1.00 0.00 H new ATOM 351 N ILE A 24 10.999 11.261 -16.284 1.00 0.00 N ATOM 352 CA ILE A 24 10.780 9.875 -16.663 1.00 0.00 C ATOM 353 C ILE A 24 12.130 9.181 -16.846 1.00 0.00 C ATOM 354 O ILE A 24 12.959 9.626 -17.639 1.00 0.00 O ATOM 355 CB ILE A 24 9.875 9.794 -17.894 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.683 8.870 -17.637 1.00 0.00 C ATOM 357 CG2 ILE A 24 10.669 9.373 -19.132 1.00 0.00 C ATOM 358 CD1 ILE A 24 8.940 7.472 -18.202 1.00 0.00 C ATOM 0 H ILE A 24 10.666 11.947 -16.961 1.00 0.00 H new ATOM 0 HA ILE A 24 10.253 9.342 -15.872 1.00 0.00 H new ATOM 0 HB ILE A 24 9.476 10.789 -18.091 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.494 8.804 -16.566 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.787 9.291 -18.093 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.002 9.323 -19.993 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.456 10.102 -19.325 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.116 8.393 -18.962 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.077 6.836 -18.005 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.104 7.539 -19.277 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.822 7.044 -17.726 1.00 0.00 H new ATOM 370 N LEU A 25 12.313 8.102 -16.099 1.00 0.00 N ATOM 371 CA LEU A 25 13.548 7.342 -16.168 1.00 0.00 C ATOM 372 C LEU A 25 13.221 5.848 -16.229 1.00 0.00 C ATOM 373 O LEU A 25 12.683 5.288 -15.276 1.00 0.00 O ATOM 374 CB LEU A 25 14.476 7.722 -15.013 1.00 0.00 C ATOM 375 CG LEU A 25 15.688 8.582 -15.381 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.271 9.776 -16.242 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.451 9.017 -14.129 1.00 0.00 C ATOM 0 H LEU A 25 11.624 7.736 -15.442 1.00 0.00 H new ATOM 0 HA LEU A 25 14.095 7.586 -17.079 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.891 8.255 -14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.835 6.805 -14.545 1.00 0.00 H new ATOM 0 HG LEU A 25 16.369 7.976 -15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.150 10.371 -16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.805 9.418 -17.160 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.560 10.392 -15.691 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.307 9.627 -14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.792 9.599 -13.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.799 8.136 -13.590 1.00 0.00 H new ATOM 389 N HIS A 26 13.561 5.247 -17.359 1.00 0.00 N ATOM 390 CA HIS A 26 13.310 3.830 -17.557 1.00 0.00 C ATOM 391 C HIS A 26 11.915 3.478 -17.037 1.00 0.00 C ATOM 392 O HIS A 26 11.759 2.548 -16.247 1.00 0.00 O ATOM 393 CB HIS A 26 14.413 2.987 -16.911 1.00 0.00 C ATOM 394 CG HIS A 26 15.719 3.721 -16.729 1.00 0.00 C ATOM 395 ND1 HIS A 26 15.909 4.684 -15.752 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.899 3.625 -17.408 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.149 5.139 -15.849 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.761 4.482 -16.876 1.00 0.00 N ATOM 0 H HIS A 26 14.008 5.715 -18.147 1.00 0.00 H new ATOM 0 HA HIS A 26 13.332 3.599 -18.622 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.066 2.637 -15.939 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.587 2.103 -17.525 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.212 4.991 -15.073 1.00 0.00 H new ATOM 0 HD2 HIS A 26 17.098 2.963 -18.238 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.597 5.897 -15.224 1.00 0.00 H new ATOM 406 N HIS A 27 10.936 4.239 -17.502 1.00 0.00 N ATOM 407 CA HIS A 27 9.558 4.021 -17.094 1.00 0.00 C ATOM 408 C HIS A 27 9.457 4.097 -15.569 1.00 0.00 C ATOM 409 O HIS A 27 8.937 3.183 -14.931 1.00 0.00 O ATOM 410 CB HIS A 27 9.029 2.701 -17.658 1.00 0.00 C ATOM 411 CG HIS A 27 9.074 2.614 -19.165 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.031 1.881 -19.846 1.00 0.00 N ATOM 413 CD2 HIS A 27 8.270 3.174 -20.114 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.805 2.003 -21.145 1.00 0.00 C ATOM 415 NE2 HIS A 27 8.713 2.805 -21.310 1.00 0.00 N ATOM 0 H HIS A 27 11.069 5.008 -18.158 1.00 0.00 H new ATOM 0 HA HIS A 27 8.923 4.806 -17.505 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.611 1.880 -17.240 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.000 2.563 -17.327 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.418 3.810 -19.925 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.383 1.548 -21.935 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.305 3.076 -22.205 1.00 0.00 H new ATOM 423 N LYS A 28 9.960 5.198 -15.030 1.00 0.00 N ATOM 424 CA LYS A 28 9.932 5.406 -13.592 1.00 0.00 C ATOM 425 C LYS A 28 10.347 6.846 -13.281 1.00 0.00 C ATOM 426 O LYS A 28 11.536 7.156 -13.231 1.00 0.00 O ATOM 427 CB LYS A 28 10.785 4.353 -12.881 1.00 0.00 C ATOM 428 CG LYS A 28 9.959 3.585 -11.848 1.00 0.00 C ATOM 429 CD LYS A 28 10.180 2.077 -11.981 1.00 0.00 C ATOM 430 CE LYS A 28 10.954 1.527 -10.782 1.00 0.00 C ATOM 431 NZ LYS A 28 10.064 0.723 -9.916 1.00 0.00 N ATOM 0 H LYS A 28 10.389 5.955 -15.563 1.00 0.00 H new ATOM 0 HA LYS A 28 8.920 5.275 -13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.196 3.658 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.630 4.835 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.233 3.909 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.902 3.814 -11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.218 1.571 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.728 1.866 -12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.785 0.913 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.382 2.350 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.605 0.357 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.285 1.319 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.676 -0.073 -10.461 1.00 0.00 H new ATOM 445 N VAL A 29 9.343 7.686 -13.082 1.00 0.00 N ATOM 446 CA VAL A 29 9.588 9.087 -12.778 1.00 0.00 C ATOM 447 C VAL A 29 10.462 9.186 -11.526 1.00 0.00 C ATOM 448 O VAL A 29 10.289 8.419 -10.580 1.00 0.00 O ATOM 449 CB VAL A 29 8.259 9.833 -12.641 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.352 9.564 -13.842 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.558 9.467 -11.331 1.00 0.00 C ATOM 0 H VAL A 29 8.358 7.425 -13.125 1.00 0.00 H new ATOM 0 HA VAL A 29 10.131 9.566 -13.593 1.00 0.00 H new ATOM 0 HB VAL A 29 8.475 10.901 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.415 10.106 -13.719 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.847 9.898 -14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.147 8.496 -13.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.616 10.011 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.361 8.395 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.197 9.734 -10.489 1.00 0.00 H new ATOM 461 N TYR A 30 11.383 10.139 -11.561 1.00 0.00 N ATOM 462 CA TYR A 30 12.284 10.349 -10.441 1.00 0.00 C ATOM 463 C TYR A 30 12.072 11.729 -9.817 1.00 0.00 C ATOM 464 O TYR A 30 12.461 12.743 -10.396 1.00 0.00 O ATOM 465 CB TYR A 30 13.699 10.276 -11.018 1.00 0.00 C ATOM 466 CG TYR A 30 14.270 8.858 -11.089 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.454 7.772 -10.842 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.600 8.665 -11.400 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.991 6.439 -10.909 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.138 7.331 -11.467 1.00 0.00 C ATOM 471 CZ TYR A 30 15.306 6.283 -11.218 1.00 0.00 C ATOM 472 OH TYR A 30 15.814 5.023 -11.281 1.00 0.00 O ATOM 0 H TYR A 30 11.524 10.774 -12.347 1.00 0.00 H new ATOM 0 HA TYR A 30 12.110 9.604 -9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.694 10.705 -12.020 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.361 10.893 -10.410 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.413 7.923 -10.599 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.238 9.515 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.363 5.581 -10.718 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.177 7.166 -11.709 1.00 0.00 H new ATOM 0 HH TYR A 30 16.765 5.065 -11.513 1.00 0.00 H new ATOM 482 N ASP A 31 11.453 11.726 -8.645 1.00 0.00 N ATOM 483 CA ASP A 31 11.184 12.965 -7.937 1.00 0.00 C ATOM 484 C ASP A 31 12.471 13.456 -7.268 1.00 0.00 C ATOM 485 O ASP A 31 12.633 13.324 -6.055 1.00 0.00 O ATOM 486 CB ASP A 31 10.133 12.759 -6.845 1.00 0.00 C ATOM 487 CG ASP A 31 9.954 13.939 -5.888 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.382 14.954 -6.339 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.393 13.799 -4.726 1.00 0.00 O ATOM 0 H ASP A 31 11.130 10.884 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 31 10.815 13.692 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.175 12.547 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.403 11.877 -6.264 1.00 0.00 H new ATOM 494 N LEU A 32 13.351 14.011 -8.087 1.00 0.00 N ATOM 495 CA LEU A 32 14.617 14.521 -7.591 1.00 0.00 C ATOM 496 C LEU A 32 14.460 15.999 -7.227 1.00 0.00 C ATOM 497 O LEU A 32 15.339 16.810 -7.513 1.00 0.00 O ATOM 498 CB LEU A 32 15.736 14.253 -8.599 1.00 0.00 C ATOM 499 CG LEU A 32 15.649 15.022 -9.918 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.885 15.901 -10.124 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.420 14.072 -11.094 1.00 0.00 C ATOM 0 H LEU A 32 13.212 14.119 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 32 14.907 13.996 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.689 14.490 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.748 13.186 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 32 14.786 15.686 -9.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.797 16.437 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.962 16.618 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.777 15.275 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.362 14.646 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.247 13.365 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.487 13.528 -10.946 1.00 0.00 H new ATOM 513 N THR A 33 13.332 16.304 -6.601 1.00 0.00 N ATOM 514 CA THR A 33 13.048 17.670 -6.194 1.00 0.00 C ATOM 515 C THR A 33 14.100 18.159 -5.196 1.00 0.00 C ATOM 516 O THR A 33 14.659 19.242 -5.361 1.00 0.00 O ATOM 517 CB THR A 33 11.622 17.712 -5.643 1.00 0.00 C ATOM 518 OG1 THR A 33 10.855 16.998 -6.610 1.00 0.00 O ATOM 519 CG2 THR A 33 11.027 19.122 -5.663 1.00 0.00 C ATOM 0 H THR A 33 12.605 15.629 -6.366 1.00 0.00 H new ATOM 0 HA THR A 33 13.105 18.355 -7.040 1.00 0.00 H new ATOM 0 HB THR A 33 11.616 17.330 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.219 16.409 -6.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.014 19.095 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.641 19.785 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.001 19.492 -6.688 1.00 0.00 H new ATOM 527 N LYS A 34 14.336 17.338 -4.184 1.00 0.00 N ATOM 528 CA LYS A 34 15.310 17.674 -3.160 1.00 0.00 C ATOM 529 C LYS A 34 16.715 17.625 -3.763 1.00 0.00 C ATOM 530 O LYS A 34 17.558 18.465 -3.452 1.00 0.00 O ATOM 531 CB LYS A 34 15.134 16.772 -1.937 1.00 0.00 C ATOM 532 CG LYS A 34 16.216 17.049 -0.891 1.00 0.00 C ATOM 533 CD LYS A 34 16.851 15.746 -0.399 1.00 0.00 C ATOM 534 CE LYS A 34 15.992 15.093 0.684 1.00 0.00 C ATOM 535 NZ LYS A 34 16.355 15.616 2.020 1.00 0.00 N ATOM 0 H LYS A 34 13.870 16.441 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 34 15.151 18.691 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.149 16.935 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.178 15.727 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.984 17.693 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.782 17.587 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.973 15.058 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.847 15.949 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.938 15.286 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.128 14.012 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.762 15.162 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.356 15.410 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.203 16.645 2.043 1.00 0.00 H new ATOM 549 N TYR A 35 16.925 16.632 -4.616 1.00 0.00 N ATOM 550 CA TYR A 35 18.213 16.462 -5.264 1.00 0.00 C ATOM 551 C TYR A 35 18.266 17.229 -6.587 1.00 0.00 C ATOM 552 O TYR A 35 19.129 16.971 -7.425 1.00 0.00 O ATOM 553 CB TYR A 35 18.347 14.965 -5.552 1.00 0.00 C ATOM 554 CG TYR A 35 19.660 14.578 -6.237 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.820 14.477 -5.498 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.681 14.330 -7.594 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.054 14.112 -6.143 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.916 13.965 -8.240 1.00 0.00 C ATOM 559 CZ TYR A 35 22.042 13.875 -7.482 1.00 0.00 C ATOM 560 OH TYR A 35 23.209 13.530 -8.090 1.00 0.00 O ATOM 0 H TYR A 35 16.224 15.937 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 35 19.014 16.839 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.263 14.416 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.514 14.651 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.803 14.672 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.772 14.409 -8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.969 14.028 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.947 13.767 -9.301 1.00 0.00 H new ATOM 0 HH TYR A 35 23.016 13.005 -8.895 1.00 0.00 H new ATOM 570 N LEU A 36 17.333 18.158 -6.733 1.00 0.00 N ATOM 571 CA LEU A 36 17.261 18.966 -7.940 1.00 0.00 C ATOM 572 C LEU A 36 18.434 19.948 -7.961 1.00 0.00 C ATOM 573 O LEU A 36 19.145 20.050 -8.959 1.00 0.00 O ATOM 574 CB LEU A 36 15.892 19.639 -8.054 1.00 0.00 C ATOM 575 CG LEU A 36 15.750 20.682 -9.164 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.472 21.979 -8.793 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.226 20.124 -10.506 1.00 0.00 C ATOM 0 H LEU A 36 16.620 18.370 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 36 17.355 18.338 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.140 18.865 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.663 20.117 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 36 14.692 20.922 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.356 22.704 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.044 22.384 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.532 21.774 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.114 20.886 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.275 19.837 -10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.629 19.251 -10.769 1.00 0.00 H new ATOM 589 N GLU A 37 18.600 20.646 -6.846 1.00 0.00 N ATOM 590 CA GLU A 37 19.674 21.617 -6.724 1.00 0.00 C ATOM 591 C GLU A 37 20.939 20.944 -6.187 1.00 0.00 C ATOM 592 O GLU A 37 22.008 21.552 -6.165 1.00 0.00 O ATOM 593 CB GLU A 37 19.255 22.788 -5.833 1.00 0.00 C ATOM 594 CG GLU A 37 19.048 22.331 -4.388 1.00 0.00 C ATOM 595 CD GLU A 37 19.526 23.399 -3.401 1.00 0.00 C ATOM 596 OE1 GLU A 37 20.726 23.356 -3.057 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.680 24.233 -3.014 1.00 0.00 O ATOM 0 H GLU A 37 18.009 20.558 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 37 19.891 22.017 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.018 23.566 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.334 23.228 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.992 22.119 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.591 21.402 -4.215 1.00 0.00 H new ATOM 604 N GLU A 38 20.775 19.698 -5.767 1.00 0.00 N ATOM 605 CA GLU A 38 21.890 18.936 -5.232 1.00 0.00 C ATOM 606 C GLU A 38 22.685 18.288 -6.368 1.00 0.00 C ATOM 607 O GLU A 38 23.865 17.980 -6.209 1.00 0.00 O ATOM 608 CB GLU A 38 21.406 17.884 -4.232 1.00 0.00 C ATOM 609 CG GLU A 38 22.430 17.681 -3.113 1.00 0.00 C ATOM 610 CD GLU A 38 22.611 16.194 -2.800 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.274 15.519 -3.617 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.083 15.766 -1.751 1.00 0.00 O ATOM 0 H GLU A 38 19.887 19.197 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 38 22.549 19.621 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.452 18.194 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.233 16.939 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.386 18.114 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.104 18.208 -2.216 1.00 0.00 H new ATOM 619 N HIS A 39 22.004 18.100 -7.490 1.00 0.00 N ATOM 620 CA HIS A 39 22.632 17.494 -8.652 1.00 0.00 C ATOM 621 C HIS A 39 23.957 18.200 -8.948 1.00 0.00 C ATOM 622 O HIS A 39 23.997 19.422 -9.081 1.00 0.00 O ATOM 623 CB HIS A 39 21.678 17.497 -9.848 1.00 0.00 C ATOM 624 CG HIS A 39 22.039 16.503 -10.925 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.974 16.802 -12.275 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.469 15.211 -10.837 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.350 15.732 -12.959 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.656 14.747 -12.067 1.00 0.00 N ATOM 0 H HIS A 39 21.025 18.356 -7.619 1.00 0.00 H new ATOM 0 HA HIS A 39 22.858 16.448 -8.443 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.669 17.284 -9.495 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.659 18.497 -10.282 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.686 17.695 -12.675 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.630 14.660 -9.922 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.405 15.653 -14.035 1.00 0.00 H new ATOM 636 N PRO A 40 25.037 17.379 -9.043 1.00 0.00 N ATOM 637 CA PRO A 40 26.359 17.912 -9.320 1.00 0.00 C ATOM 638 C PRO A 40 26.492 18.314 -10.790 1.00 0.00 C ATOM 639 O PRO A 40 27.241 19.233 -11.121 1.00 0.00 O ATOM 640 CB PRO A 40 27.322 16.806 -8.917 1.00 0.00 C ATOM 641 CG PRO A 40 26.494 15.532 -8.868 1.00 0.00 C ATOM 642 CD PRO A 40 25.027 15.927 -8.889 1.00 0.00 C ATOM 0 HA PRO A 40 26.568 18.826 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.136 16.716 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.774 17.016 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.729 14.892 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.723 14.963 -7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.499 15.445 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.523 15.630 -7.969 1.00 0.00 H new ATOM 650 N GLY A 41 25.755 17.607 -11.632 1.00 0.00 N ATOM 651 CA GLY A 41 25.780 17.878 -13.059 1.00 0.00 C ATOM 652 C GLY A 41 25.202 19.261 -13.365 1.00 0.00 C ATOM 653 O GLY A 41 25.928 20.163 -13.781 1.00 0.00 O ATOM 0 H GLY A 41 25.136 16.846 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.805 17.819 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.208 17.116 -13.588 1.00 0.00 H new ATOM 657 N GLY A 42 23.902 19.386 -13.146 1.00 0.00 N ATOM 658 CA GLY A 42 23.218 20.643 -13.393 1.00 0.00 C ATOM 659 C GLY A 42 21.762 20.577 -12.928 1.00 0.00 C ATOM 660 O GLY A 42 21.151 19.509 -12.941 1.00 0.00 O ATOM 0 H GLY A 42 23.303 18.636 -12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.733 21.450 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.253 20.877 -14.457 1.00 0.00 H new ATOM 664 N GLU A 43 21.248 21.731 -12.530 1.00 0.00 N ATOM 665 CA GLU A 43 19.875 21.817 -12.062 1.00 0.00 C ATOM 666 C GLU A 43 18.926 22.037 -13.241 1.00 0.00 C ATOM 667 O GLU A 43 17.740 21.720 -13.156 1.00 0.00 O ATOM 668 CB GLU A 43 19.720 22.925 -11.019 1.00 0.00 C ATOM 669 CG GLU A 43 20.124 24.283 -11.596 1.00 0.00 C ATOM 670 CD GLU A 43 21.129 24.989 -10.685 1.00 0.00 C ATOM 671 OE1 GLU A 43 22.041 24.290 -10.195 1.00 0.00 O ATOM 672 OE2 GLU A 43 20.962 26.214 -10.498 1.00 0.00 O ATOM 0 H GLU A 43 21.758 22.615 -12.522 1.00 0.00 H new ATOM 0 HA GLU A 43 19.615 20.873 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.686 22.965 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.336 22.698 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.559 24.146 -12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.239 24.907 -11.720 1.00 0.00 H new ATOM 679 N GLU A 44 19.482 22.579 -14.315 1.00 0.00 N ATOM 680 CA GLU A 44 18.700 22.846 -15.509 1.00 0.00 C ATOM 681 C GLU A 44 18.528 21.564 -16.329 1.00 0.00 C ATOM 682 O GLU A 44 17.407 21.174 -16.649 1.00 0.00 O ATOM 683 CB GLU A 44 19.341 23.951 -16.350 1.00 0.00 C ATOM 684 CG GLU A 44 18.340 24.528 -17.354 1.00 0.00 C ATOM 685 CD GLU A 44 17.870 25.918 -16.921 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.752 26.784 -16.738 1.00 0.00 O ATOM 687 OE2 GLU A 44 16.639 26.084 -16.785 1.00 0.00 O ATOM 0 H GLU A 44 20.466 22.840 -14.382 1.00 0.00 H new ATOM 0 HA GLU A 44 17.714 23.194 -15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.705 24.745 -15.697 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.206 23.553 -16.881 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.801 24.587 -18.340 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.482 23.861 -17.442 1.00 0.00 H new ATOM 694 N VAL A 45 19.657 20.946 -16.644 1.00 0.00 N ATOM 695 CA VAL A 45 19.645 19.717 -17.419 1.00 0.00 C ATOM 696 C VAL A 45 18.484 18.837 -16.954 1.00 0.00 C ATOM 697 O VAL A 45 17.936 18.062 -17.736 1.00 0.00 O ATOM 698 CB VAL A 45 21.004 19.020 -17.314 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.639 19.261 -15.943 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.875 17.524 -17.604 1.00 0.00 C ATOM 0 H VAL A 45 20.585 21.273 -16.377 1.00 0.00 H new ATOM 0 HA VAL A 45 19.486 19.933 -18.475 1.00 0.00 H new ATOM 0 HB VAL A 45 21.662 19.452 -18.068 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.603 18.755 -15.895 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.782 20.331 -15.791 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.984 18.869 -15.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.854 17.052 -17.523 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.193 17.071 -16.884 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.486 17.381 -18.612 1.00 0.00 H new ATOM 710 N LEU A 46 18.144 18.984 -15.682 1.00 0.00 N ATOM 711 CA LEU A 46 17.058 18.212 -15.103 1.00 0.00 C ATOM 712 C LEU A 46 15.729 18.907 -15.401 1.00 0.00 C ATOM 713 O LEU A 46 14.852 18.331 -16.045 1.00 0.00 O ATOM 714 CB LEU A 46 17.306 17.971 -13.612 1.00 0.00 C ATOM 715 CG LEU A 46 18.761 17.732 -13.205 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.006 18.177 -11.762 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.162 16.274 -13.431 1.00 0.00 C ATOM 0 H LEU A 46 18.602 19.627 -15.036 1.00 0.00 H new ATOM 0 HA LEU A 46 17.010 17.223 -15.558 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.931 18.831 -13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.716 17.109 -13.300 1.00 0.00 H new ATOM 0 HG LEU A 46 19.399 18.343 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.048 17.996 -11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.787 19.240 -11.667 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.358 17.612 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.201 16.132 -13.133 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.522 15.624 -12.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.050 16.025 -14.486 1.00 0.00 H new ATOM 729 N ARG A 47 15.619 20.136 -14.918 1.00 0.00 N ATOM 730 CA ARG A 47 14.410 20.917 -15.124 1.00 0.00 C ATOM 731 C ARG A 47 14.116 21.054 -16.620 1.00 0.00 C ATOM 732 O ARG A 47 13.041 20.676 -17.082 1.00 0.00 O ATOM 733 CB ARG A 47 14.543 22.310 -14.507 1.00 0.00 C ATOM 734 CG ARG A 47 14.617 22.229 -12.980 1.00 0.00 C ATOM 735 CD ARG A 47 14.341 23.592 -12.345 1.00 0.00 C ATOM 736 NE ARG A 47 15.497 24.492 -12.555 1.00 0.00 N ATOM 737 CZ ARG A 47 15.422 25.830 -12.533 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.245 26.431 -12.309 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.523 26.567 -12.733 1.00 0.00 N ATOM 0 H ARG A 47 16.347 20.611 -14.384 1.00 0.00 H new ATOM 0 HA ARG A 47 13.589 20.393 -14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.438 22.798 -14.893 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.692 22.925 -14.801 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.893 21.501 -12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.603 21.876 -12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.444 24.031 -12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.151 23.474 -11.278 1.00 0.00 H new ATOM 0 HE ARG A 47 16.408 24.067 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.407 25.870 -12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.187 27.449 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.419 26.110 -12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.465 27.585 -12.716 1.00 0.00 H new ATOM 753 N GLU A 48 15.092 21.598 -17.334 1.00 0.00 N ATOM 754 CA GLU A 48 14.951 21.790 -18.768 1.00 0.00 C ATOM 755 C GLU A 48 14.120 20.659 -19.376 1.00 0.00 C ATOM 756 O GLU A 48 13.231 20.905 -20.190 1.00 0.00 O ATOM 757 CB GLU A 48 16.319 21.891 -19.444 1.00 0.00 C ATOM 758 CG GLU A 48 16.172 22.225 -20.930 1.00 0.00 C ATOM 759 CD GLU A 48 16.757 23.604 -21.242 1.00 0.00 C ATOM 760 OE1 GLU A 48 16.194 24.590 -20.720 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.754 23.641 -21.996 1.00 0.00 O ATOM 0 H GLU A 48 15.982 21.911 -16.947 1.00 0.00 H new ATOM 0 HA GLU A 48 14.428 22.731 -18.940 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.916 22.659 -18.952 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.855 20.949 -19.330 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.678 21.467 -21.529 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.119 22.201 -21.209 1.00 0.00 H new ATOM 768 N GLN A 49 14.439 19.442 -18.959 1.00 0.00 N ATOM 769 CA GLN A 49 13.734 18.272 -19.452 1.00 0.00 C ATOM 770 C GLN A 49 13.252 17.411 -18.283 1.00 0.00 C ATOM 771 O GLN A 49 13.465 16.199 -18.271 1.00 0.00 O ATOM 772 CB GLN A 49 14.616 17.461 -20.404 1.00 0.00 C ATOM 773 CG GLN A 49 15.874 16.961 -19.693 1.00 0.00 C ATOM 774 CD GLN A 49 17.094 17.049 -20.611 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.665 16.054 -21.028 1.00 0.00 O ATOM 776 NE2 GLN A 49 17.463 18.293 -20.903 1.00 0.00 N ATOM 0 H GLN A 49 15.177 19.242 -18.284 1.00 0.00 H new ATOM 0 HA GLN A 49 12.862 18.607 -20.014 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.053 16.613 -20.794 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.897 18.077 -21.258 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.047 17.553 -18.794 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.729 15.929 -19.373 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.942 19.082 -20.521 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.267 18.458 -21.509 1.00 0.00 H new ATOM 785 N ALA A 50 12.611 18.069 -17.328 1.00 0.00 N ATOM 786 CA ALA A 50 12.098 17.378 -16.158 1.00 0.00 C ATOM 787 C ALA A 50 10.890 16.529 -16.561 1.00 0.00 C ATOM 788 O ALA A 50 11.047 15.392 -17.004 1.00 0.00 O ATOM 789 CB ALA A 50 11.755 18.399 -15.071 1.00 0.00 C ATOM 0 H ALA A 50 12.435 19.074 -17.341 1.00 0.00 H new ATOM 0 HA ALA A 50 12.852 16.706 -15.748 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.370 17.880 -14.193 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.652 18.956 -14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.999 19.089 -15.445 1.00 0.00 H new ATOM 795 N GLY A 51 9.713 17.113 -16.392 1.00 0.00 N ATOM 796 CA GLY A 51 8.481 16.424 -16.733 1.00 0.00 C ATOM 797 C GLY A 51 8.673 15.529 -17.958 1.00 0.00 C ATOM 798 O GLY A 51 8.101 14.443 -18.034 1.00 0.00 O ATOM 0 H GLY A 51 9.587 18.056 -16.023 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.151 15.822 -15.887 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.695 17.153 -16.931 1.00 0.00 H new ATOM 802 N GLY A 52 9.480 16.017 -18.887 1.00 0.00 N ATOM 803 CA GLY A 52 9.756 15.275 -20.105 1.00 0.00 C ATOM 804 C GLY A 52 10.359 13.905 -19.788 1.00 0.00 C ATOM 805 O GLY A 52 9.950 13.249 -18.832 1.00 0.00 O ATOM 0 H GLY A 52 9.953 16.919 -18.821 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.835 15.148 -20.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.443 15.842 -20.733 1.00 0.00 H new ATOM 809 N ASP A 53 11.323 13.513 -20.610 1.00 0.00 N ATOM 810 CA ASP A 53 11.986 12.233 -20.427 1.00 0.00 C ATOM 811 C ASP A 53 13.489 12.407 -20.653 1.00 0.00 C ATOM 812 O ASP A 53 13.926 12.687 -21.768 1.00 0.00 O ATOM 813 CB ASP A 53 11.473 11.200 -21.433 1.00 0.00 C ATOM 814 CG ASP A 53 11.750 11.534 -22.901 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.846 12.744 -23.199 1.00 0.00 O ATOM 816 OD2 ASP A 53 11.857 10.571 -23.691 1.00 0.00 O ATOM 0 H ASP A 53 11.660 14.059 -21.403 1.00 0.00 H new ATOM 0 HA ASP A 53 11.778 11.886 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.926 10.236 -21.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.397 11.087 -21.298 1.00 0.00 H new ATOM 821 N ALA A 54 14.240 12.231 -19.575 1.00 0.00 N ATOM 822 CA ALA A 54 15.686 12.365 -19.642 1.00 0.00 C ATOM 823 C ALA A 54 16.330 10.989 -19.457 1.00 0.00 C ATOM 824 O ALA A 54 17.462 10.888 -18.987 1.00 0.00 O ATOM 825 CB ALA A 54 16.154 13.374 -18.591 1.00 0.00 C ATOM 0 H ALA A 54 13.875 11.997 -18.652 1.00 0.00 H new ATOM 0 HA ALA A 54 15.992 12.744 -20.617 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.238 13.475 -18.641 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.690 14.341 -18.784 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.867 13.025 -17.599 1.00 0.00 H new ATOM 831 N THR A 55 15.580 9.965 -19.834 1.00 0.00 N ATOM 832 CA THR A 55 16.063 8.599 -19.716 1.00 0.00 C ATOM 833 C THR A 55 17.439 8.462 -20.371 1.00 0.00 C ATOM 834 O THR A 55 18.418 8.129 -19.705 1.00 0.00 O ATOM 835 CB THR A 55 15.008 7.670 -20.318 1.00 0.00 C ATOM 836 OG1 THR A 55 14.017 7.563 -19.300 1.00 0.00 O ATOM 837 CG2 THR A 55 15.518 6.239 -20.493 1.00 0.00 C ATOM 0 H THR A 55 14.641 10.053 -20.222 1.00 0.00 H new ATOM 0 HA THR A 55 16.205 8.319 -18.672 1.00 0.00 H new ATOM 0 HB THR A 55 14.689 8.062 -21.284 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.781 8.458 -18.978 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.730 5.622 -20.924 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.382 6.239 -21.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.806 5.834 -19.523 1.00 0.00 H new ATOM 845 N GLU A 56 17.470 8.725 -21.669 1.00 0.00 N ATOM 846 CA GLU A 56 18.709 8.635 -22.422 1.00 0.00 C ATOM 847 C GLU A 56 19.719 9.662 -21.906 1.00 0.00 C ATOM 848 O GLU A 56 20.895 9.347 -21.729 1.00 0.00 O ATOM 849 CB GLU A 56 18.456 8.821 -23.920 1.00 0.00 C ATOM 850 CG GLU A 56 17.537 7.723 -24.460 1.00 0.00 C ATOM 851 CD GLU A 56 16.080 8.191 -24.487 1.00 0.00 C ATOM 852 OE1 GLU A 56 15.839 9.259 -25.090 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.242 7.470 -23.904 1.00 0.00 O ATOM 0 H GLU A 56 16.656 9.001 -22.219 1.00 0.00 H new ATOM 0 HA GLU A 56 19.127 7.638 -22.278 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.006 9.798 -24.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.404 8.804 -24.458 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.851 7.443 -25.465 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.625 6.832 -23.838 1.00 0.00 H new ATOM 860 N ASN A 57 19.224 10.870 -21.679 1.00 0.00 N ATOM 861 CA ASN A 57 20.069 11.945 -21.187 1.00 0.00 C ATOM 862 C ASN A 57 20.664 11.542 -19.836 1.00 0.00 C ATOM 863 O ASN A 57 21.679 12.091 -19.412 1.00 0.00 O ATOM 864 CB ASN A 57 19.264 13.230 -20.985 1.00 0.00 C ATOM 865 CG ASN A 57 19.341 14.125 -22.223 1.00 0.00 C ATOM 866 OD1 ASN A 57 20.003 15.150 -22.240 1.00 0.00 O ATOM 867 ND2 ASN A 57 18.629 13.683 -23.256 1.00 0.00 N ATOM 0 H ASN A 57 18.248 11.128 -21.827 1.00 0.00 H new ATOM 0 HA ASN A 57 20.852 12.123 -21.924 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.223 12.982 -20.775 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.645 13.769 -20.118 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.615 14.210 -24.129 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.097 12.817 -23.175 1.00 0.00 H new ATOM 874 N PHE A 58 20.004 10.587 -19.196 1.00 0.00 N ATOM 875 CA PHE A 58 20.455 10.104 -17.902 1.00 0.00 C ATOM 876 C PHE A 58 21.412 8.921 -18.060 1.00 0.00 C ATOM 877 O PHE A 58 22.404 8.820 -17.341 1.00 0.00 O ATOM 878 CB PHE A 58 19.212 9.641 -17.139 1.00 0.00 C ATOM 879 CG PHE A 58 19.482 8.528 -16.125 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.645 7.247 -16.550 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.561 8.821 -14.799 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.897 6.213 -15.608 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.811 7.787 -13.858 1.00 0.00 C ATOM 884 CZ PHE A 58 19.974 6.505 -14.282 1.00 0.00 C ATOM 0 H PHE A 58 19.161 10.135 -19.550 1.00 0.00 H new ATOM 0 HA PHE A 58 20.985 10.897 -17.374 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.779 10.495 -16.619 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.468 9.293 -17.855 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.583 7.015 -17.603 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.434 9.839 -14.462 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.027 5.195 -15.945 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.872 8.019 -12.805 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.164 5.719 -13.566 1.00 0.00 H new ATOM 894 N GLU A 59 21.080 8.055 -19.007 1.00 0.00 N ATOM 895 CA GLU A 59 21.897 6.882 -19.269 1.00 0.00 C ATOM 896 C GLU A 59 23.144 7.273 -20.066 1.00 0.00 C ATOM 897 O GLU A 59 24.220 6.716 -19.852 1.00 0.00 O ATOM 898 CB GLU A 59 21.093 5.806 -20.000 1.00 0.00 C ATOM 899 CG GLU A 59 20.061 5.166 -19.070 1.00 0.00 C ATOM 900 CD GLU A 59 19.834 3.696 -19.430 1.00 0.00 C ATOM 901 OE1 GLU A 59 19.064 3.459 -20.387 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.437 2.843 -18.744 1.00 0.00 O ATOM 0 H GLU A 59 20.256 8.142 -19.602 1.00 0.00 H new ATOM 0 HA GLU A 59 22.216 6.463 -18.314 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.589 6.246 -20.861 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.768 5.040 -20.383 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.400 5.243 -18.037 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.119 5.710 -19.137 1.00 0.00 H new ATOM 909 N ASP A 60 22.957 8.224 -20.969 1.00 0.00 N ATOM 910 CA ASP A 60 24.052 8.694 -21.798 1.00 0.00 C ATOM 911 C ASP A 60 25.191 9.186 -20.902 1.00 0.00 C ATOM 912 O ASP A 60 26.356 8.876 -21.146 1.00 0.00 O ATOM 913 CB ASP A 60 23.611 9.861 -22.684 1.00 0.00 C ATOM 914 CG ASP A 60 24.504 10.124 -23.898 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.461 9.290 -24.827 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.211 11.156 -23.870 1.00 0.00 O ATOM 0 H ASP A 60 22.063 8.682 -21.144 1.00 0.00 H new ATOM 0 HA ASP A 60 24.377 7.865 -22.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.596 9.669 -23.033 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.574 10.765 -22.076 1.00 0.00 H new ATOM 921 N VAL A 61 24.814 9.943 -19.882 1.00 0.00 N ATOM 922 CA VAL A 61 25.789 10.480 -18.948 1.00 0.00 C ATOM 923 C VAL A 61 26.375 9.337 -18.116 1.00 0.00 C ATOM 924 O VAL A 61 27.413 9.500 -17.477 1.00 0.00 O ATOM 925 CB VAL A 61 25.146 11.574 -18.094 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.415 12.594 -18.967 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.205 10.972 -17.048 1.00 0.00 C ATOM 0 H VAL A 61 23.847 10.197 -19.682 1.00 0.00 H new ATOM 0 HA VAL A 61 26.615 10.948 -19.483 1.00 0.00 H new ATOM 0 HB VAL A 61 25.943 12.097 -17.566 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.967 13.360 -18.334 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.123 13.058 -19.654 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.633 12.092 -19.536 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.761 11.772 -16.455 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.416 10.411 -17.549 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.767 10.304 -16.395 1.00 0.00 H new ATOM 937 N GLY A 62 25.683 8.207 -18.151 1.00 0.00 N ATOM 938 CA GLY A 62 26.122 7.039 -17.409 1.00 0.00 C ATOM 939 C GLY A 62 26.231 7.348 -15.914 1.00 0.00 C ATOM 940 O GLY A 62 27.309 7.683 -15.423 1.00 0.00 O ATOM 0 H GLY A 62 24.822 8.077 -18.682 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.420 6.220 -17.564 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.089 6.706 -17.787 1.00 0.00 H new ATOM 944 N HIS A 63 25.102 7.225 -15.233 1.00 0.00 N ATOM 945 CA HIS A 63 25.058 7.487 -13.804 1.00 0.00 C ATOM 946 C HIS A 63 25.814 6.388 -13.057 1.00 0.00 C ATOM 947 O HIS A 63 25.711 5.212 -13.403 1.00 0.00 O ATOM 948 CB HIS A 63 23.612 7.643 -13.325 1.00 0.00 C ATOM 949 CG HIS A 63 23.008 8.994 -13.626 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.780 9.442 -14.915 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.588 9.987 -12.792 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.246 10.653 -14.848 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.128 10.990 -13.531 1.00 0.00 N ATOM 0 H HIS A 63 24.210 6.947 -15.644 1.00 0.00 H new ATOM 0 HA HIS A 63 25.556 8.433 -13.588 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.000 6.871 -13.791 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.576 7.472 -12.249 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.988 8.928 -15.771 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.623 9.962 -11.713 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.955 11.266 -15.688 1.00 0.00 H new ATOM 961 N SER A 64 26.560 6.809 -12.045 1.00 0.00 N ATOM 962 CA SER A 64 27.334 5.875 -11.246 1.00 0.00 C ATOM 963 C SER A 64 26.433 5.204 -10.207 1.00 0.00 C ATOM 964 O SER A 64 25.289 5.612 -10.015 1.00 0.00 O ATOM 965 CB SER A 64 28.505 6.579 -10.557 1.00 0.00 C ATOM 966 OG SER A 64 29.711 6.468 -11.310 1.00 0.00 O ATOM 0 H SER A 64 26.644 7.785 -11.761 1.00 0.00 H new ATOM 0 HA SER A 64 27.743 5.113 -11.910 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.262 7.632 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.655 6.149 -9.567 1.00 0.00 H new ATOM 0 HG SER A 64 30.435 6.931 -10.839 1.00 0.00 H new ATOM 972 N THR A 65 26.984 4.185 -9.564 1.00 0.00 N ATOM 973 CA THR A 65 26.244 3.452 -8.550 1.00 0.00 C ATOM 974 C THR A 65 25.634 4.420 -7.533 1.00 0.00 C ATOM 975 O THR A 65 24.456 4.310 -7.197 1.00 0.00 O ATOM 976 CB THR A 65 27.191 2.428 -7.921 1.00 0.00 C ATOM 977 OG1 THR A 65 26.976 1.243 -8.681 1.00 0.00 O ATOM 978 CG2 THR A 65 26.775 2.041 -6.500 1.00 0.00 C ATOM 0 H THR A 65 27.934 3.850 -9.725 1.00 0.00 H new ATOM 0 HA THR A 65 25.403 2.913 -8.986 1.00 0.00 H new ATOM 0 HB THR A 65 28.203 2.832 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.553 0.527 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.480 1.312 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.772 2.928 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.776 1.606 -6.519 1.00 0.00 H new ATOM 986 N ASP A 66 26.464 5.344 -7.071 1.00 0.00 N ATOM 987 CA ASP A 66 26.020 6.329 -6.100 1.00 0.00 C ATOM 988 C ASP A 66 24.611 6.801 -6.466 1.00 0.00 C ATOM 989 O ASP A 66 23.758 6.955 -5.593 1.00 0.00 O ATOM 990 CB ASP A 66 26.941 7.551 -6.094 1.00 0.00 C ATOM 991 CG ASP A 66 27.485 7.944 -4.720 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.090 7.061 -4.075 1.00 0.00 O ATOM 993 OD2 ASP A 66 27.284 9.120 -4.345 1.00 0.00 O ATOM 0 H ASP A 66 27.441 5.431 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 66 26.034 5.862 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.782 7.356 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.397 8.399 -6.509 1.00 0.00 H new ATOM 998 N ALA A 67 24.411 7.018 -7.758 1.00 0.00 N ATOM 999 CA ALA A 67 23.120 7.469 -8.248 1.00 0.00 C ATOM 1000 C ALA A 67 22.082 6.367 -8.030 1.00 0.00 C ATOM 1001 O ALA A 67 20.992 6.627 -7.522 1.00 0.00 O ATOM 1002 CB ALA A 67 23.245 7.869 -9.720 1.00 0.00 C ATOM 0 H ALA A 67 25.121 6.890 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 67 22.787 8.349 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.277 8.208 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.972 8.675 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.575 7.010 -10.304 1.00 0.00 H new ATOM 1008 N ARG A 68 22.457 5.159 -8.424 1.00 0.00 N ATOM 1009 CA ARG A 68 21.571 4.016 -8.277 1.00 0.00 C ATOM 1010 C ARG A 68 20.842 4.079 -6.934 1.00 0.00 C ATOM 1011 O ARG A 68 19.627 3.897 -6.875 1.00 0.00 O ATOM 1012 CB ARG A 68 22.350 2.701 -8.366 1.00 0.00 C ATOM 1013 CG ARG A 68 21.438 1.552 -8.799 1.00 0.00 C ATOM 1014 CD ARG A 68 22.076 0.197 -8.484 1.00 0.00 C ATOM 1015 NE ARG A 68 21.315 -0.887 -9.146 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.830 -2.084 -9.457 1.00 0.00 C ATOM 1017 NH1 ARG A 68 23.109 -2.358 -9.170 1.00 0.00 N ATOM 1018 NH2 ARG A 68 21.064 -3.006 -10.056 1.00 0.00 N ATOM 0 H ARG A 68 23.362 4.947 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 68 20.846 4.052 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.170 2.807 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.795 2.472 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.478 1.633 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.239 1.624 -9.868 1.00 0.00 H new ATOM 0 HD2 ARG A 68 23.112 0.186 -8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.092 0.035 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 68 20.338 -0.711 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.691 -1.655 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.501 -3.269 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.090 -2.796 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.455 -3.918 -10.293 1.00 0.00 H new ATOM 1032 N GLU A 69 21.614 4.336 -5.888 1.00 0.00 N ATOM 1033 CA GLU A 69 21.055 4.426 -4.550 1.00 0.00 C ATOM 1034 C GLU A 69 20.077 5.599 -4.459 1.00 0.00 C ATOM 1035 O GLU A 69 18.931 5.426 -4.049 1.00 0.00 O ATOM 1036 CB GLU A 69 22.162 4.552 -3.502 1.00 0.00 C ATOM 1037 CG GLU A 69 21.626 4.260 -2.099 1.00 0.00 C ATOM 1038 CD GLU A 69 21.651 5.518 -1.229 1.00 0.00 C ATOM 1039 OE1 GLU A 69 22.644 6.268 -1.345 1.00 0.00 O ATOM 1040 OE2 GLU A 69 20.677 5.700 -0.467 1.00 0.00 O ATOM 0 H GLU A 69 22.622 4.485 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 69 20.507 3.507 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.971 3.860 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.583 5.557 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.606 3.881 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.226 3.479 -1.632 1.00 0.00 H new ATOM 1047 N LEU A 70 20.566 6.767 -4.850 1.00 0.00 N ATOM 1048 CA LEU A 70 19.750 7.968 -4.818 1.00 0.00 C ATOM 1049 C LEU A 70 18.476 7.736 -5.634 1.00 0.00 C ATOM 1050 O LEU A 70 17.380 7.687 -5.079 1.00 0.00 O ATOM 1051 CB LEU A 70 20.563 9.180 -5.278 1.00 0.00 C ATOM 1052 CG LEU A 70 21.367 9.900 -4.193 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.942 8.903 -3.185 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.454 10.782 -4.810 1.00 0.00 C ATOM 0 H LEU A 70 21.517 6.907 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 70 19.439 8.190 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.252 8.855 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.881 9.898 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 70 20.691 10.557 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.509 9.440 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.128 8.355 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.599 8.203 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.010 11.282 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.134 10.164 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.993 11.529 -5.456 1.00 0.00 H new ATOM 1066 N SER A 71 18.664 7.600 -6.939 1.00 0.00 N ATOM 1067 CA SER A 71 17.545 7.375 -7.836 1.00 0.00 C ATOM 1068 C SER A 71 16.449 6.582 -7.118 1.00 0.00 C ATOM 1069 O SER A 71 15.317 7.047 -7.003 1.00 0.00 O ATOM 1070 CB SER A 71 17.991 6.636 -9.099 1.00 0.00 C ATOM 1071 OG SER A 71 18.785 7.463 -9.947 1.00 0.00 O ATOM 0 H SER A 71 19.575 7.641 -7.396 1.00 0.00 H new ATOM 0 HA SER A 71 17.147 8.345 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.561 5.750 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.114 6.291 -9.646 1.00 0.00 H new ATOM 0 HG SER A 71 18.202 7.959 -10.559 1.00 0.00 H new ATOM 1077 N LYS A 72 16.827 5.401 -6.654 1.00 0.00 N ATOM 1078 CA LYS A 72 15.891 4.539 -5.951 1.00 0.00 C ATOM 1079 C LYS A 72 15.277 5.310 -4.779 1.00 0.00 C ATOM 1080 O LYS A 72 14.056 5.389 -4.657 1.00 0.00 O ATOM 1081 CB LYS A 72 16.572 3.233 -5.537 1.00 0.00 C ATOM 1082 CG LYS A 72 15.672 2.414 -4.609 1.00 0.00 C ATOM 1083 CD LYS A 72 15.152 1.161 -5.316 1.00 0.00 C ATOM 1084 CE LYS A 72 15.639 -0.107 -4.612 1.00 0.00 C ATOM 1085 NZ LYS A 72 14.548 -0.708 -3.813 1.00 0.00 N ATOM 0 H LYS A 72 17.768 5.020 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 72 15.071 4.250 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.814 2.648 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.514 3.453 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.228 2.128 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.832 3.025 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.062 1.175 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.489 1.158 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.996 -0.826 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.483 0.131 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.896 -1.568 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.226 -0.026 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.754 -0.953 -4.438 1.00 0.00 H new ATOM 1099 N THR A 73 16.153 5.857 -3.949 1.00 0.00 N ATOM 1100 CA THR A 73 15.712 6.618 -2.792 1.00 0.00 C ATOM 1101 C THR A 73 14.797 7.766 -3.226 1.00 0.00 C ATOM 1102 O THR A 73 13.884 8.146 -2.496 1.00 0.00 O ATOM 1103 CB THR A 73 16.955 7.085 -2.032 1.00 0.00 C ATOM 1104 OG1 THR A 73 16.985 6.256 -0.873 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.801 8.502 -1.473 1.00 0.00 C ATOM 0 H THR A 73 17.165 5.789 -4.054 1.00 0.00 H new ATOM 0 HA THR A 73 15.114 6.004 -2.119 1.00 0.00 H new ATOM 0 HB THR A 73 17.821 7.048 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.762 6.490 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.710 8.785 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.627 9.199 -2.292 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.956 8.532 -0.785 1.00 0.00 H new ATOM 1113 N TYR A 74 15.076 8.285 -4.412 1.00 0.00 N ATOM 1114 CA TYR A 74 14.290 9.382 -4.953 1.00 0.00 C ATOM 1115 C TYR A 74 13.262 8.873 -5.966 1.00 0.00 C ATOM 1116 O TYR A 74 13.065 9.484 -7.015 1.00 0.00 O ATOM 1117 CB TYR A 74 15.282 10.300 -5.667 1.00 0.00 C ATOM 1118 CG TYR A 74 16.095 11.191 -4.727 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.277 10.726 -4.184 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.647 12.459 -4.418 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.042 11.564 -3.299 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.412 13.298 -3.532 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.571 12.809 -3.017 1.00 0.00 C ATOM 1124 OH TYR A 74 18.295 13.601 -2.179 1.00 0.00 O ATOM 0 H TYR A 74 15.835 7.967 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 74 13.746 9.893 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.967 9.690 -6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.736 10.932 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.627 9.733 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.722 12.823 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.968 11.213 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.073 14.293 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 74 18.120 13.341 -1.250 1.00 0.00 H new ATOM 1134 N ILE A 75 12.635 7.759 -5.617 1.00 0.00 N ATOM 1135 CA ILE A 75 11.634 7.162 -6.482 1.00 0.00 C ATOM 1136 C ILE A 75 10.284 7.149 -5.762 1.00 0.00 C ATOM 1137 O ILE A 75 10.221 6.893 -4.560 1.00 0.00 O ATOM 1138 CB ILE A 75 12.090 5.780 -6.956 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.532 5.465 -8.346 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.725 4.702 -5.933 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.235 4.251 -8.956 1.00 0.00 C ATOM 0 H ILE A 75 12.802 7.255 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 75 11.508 7.759 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 75 13.177 5.789 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.461 5.273 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.660 6.329 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.060 3.730 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.210 4.923 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.644 4.684 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.820 4.048 -9.943 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.302 4.455 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.085 3.383 -8.314 1.00 0.00 H new ATOM 1153 N ILE A 76 9.239 7.431 -6.525 1.00 0.00 N ATOM 1154 CA ILE A 76 7.895 7.457 -5.974 1.00 0.00 C ATOM 1155 C ILE A 76 7.005 6.497 -6.767 1.00 0.00 C ATOM 1156 O ILE A 76 6.165 5.806 -6.194 1.00 0.00 O ATOM 1157 CB ILE A 76 7.362 8.890 -5.925 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.807 9.315 -7.285 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.434 9.856 -5.416 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.930 9.773 -8.218 1.00 0.00 C ATOM 0 H ILE A 76 9.296 7.644 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 76 7.901 7.109 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 76 6.535 8.923 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.270 8.482 -7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.088 10.123 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.030 10.868 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.741 9.563 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.296 9.826 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.507 10.070 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.450 10.621 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.634 8.955 -8.369 1.00 0.00 H new ATOM 1172 N GLY A 77 7.220 6.486 -8.075 1.00 0.00 N ATOM 1173 CA GLY A 77 6.448 5.623 -8.952 1.00 0.00 C ATOM 1174 C GLY A 77 6.778 5.898 -10.422 1.00 0.00 C ATOM 1175 O GLY A 77 7.711 6.640 -10.723 1.00 0.00 O ATOM 0 H GLY A 77 7.917 7.061 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.658 4.579 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.384 5.781 -8.779 1.00 0.00 H new ATOM 1179 N GLU A 78 5.994 5.285 -11.296 1.00 0.00 N ATOM 1180 CA GLU A 78 6.191 5.455 -12.725 1.00 0.00 C ATOM 1181 C GLU A 78 5.021 6.231 -13.334 1.00 0.00 C ATOM 1182 O GLU A 78 4.009 6.454 -12.672 1.00 0.00 O ATOM 1183 CB GLU A 78 6.372 4.102 -13.418 1.00 0.00 C ATOM 1184 CG GLU A 78 5.085 3.277 -13.354 1.00 0.00 C ATOM 1185 CD GLU A 78 5.381 1.787 -13.536 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.853 1.178 -12.552 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.128 1.291 -14.655 1.00 0.00 O ATOM 0 H GLU A 78 5.221 4.670 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 78 7.103 6.031 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.657 4.258 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.185 3.552 -12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.592 3.439 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.395 3.612 -14.128 1.00 0.00 H new ATOM 1194 N LEU A 79 5.199 6.619 -14.588 1.00 0.00 N ATOM 1195 CA LEU A 79 4.171 7.365 -15.293 1.00 0.00 C ATOM 1196 C LEU A 79 3.507 6.455 -16.328 1.00 0.00 C ATOM 1197 O LEU A 79 4.125 5.513 -16.819 1.00 0.00 O ATOM 1198 CB LEU A 79 4.753 8.650 -15.888 1.00 0.00 C ATOM 1199 CG LEU A 79 4.897 8.680 -17.410 1.00 0.00 C ATOM 1200 CD1 LEU A 79 5.506 7.375 -17.929 1.00 0.00 C ATOM 1201 CD2 LEU A 79 3.560 8.995 -18.082 1.00 0.00 C ATOM 0 H LEU A 79 6.040 6.431 -15.134 1.00 0.00 H new ATOM 0 HA LEU A 79 3.392 7.686 -14.602 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.121 9.485 -15.586 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.735 8.818 -15.447 1.00 0.00 H new ATOM 0 HG LEU A 79 5.585 9.484 -17.672 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.598 7.422 -19.014 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.492 7.233 -17.487 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.862 6.539 -17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.691 9.010 -19.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.830 8.231 -17.816 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.204 9.969 -17.746 1.00 0.00 H new ATOM 1213 N HIS A 80 2.256 6.771 -16.630 1.00 0.00 N ATOM 1214 CA HIS A 80 1.500 5.994 -17.598 1.00 0.00 C ATOM 1215 C HIS A 80 2.430 5.532 -18.722 1.00 0.00 C ATOM 1216 O HIS A 80 2.893 6.343 -19.522 1.00 0.00 O ATOM 1217 CB HIS A 80 0.297 6.787 -18.111 1.00 0.00 C ATOM 1218 CG HIS A 80 -0.958 5.963 -18.273 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -1.978 6.312 -19.142 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.347 4.803 -17.669 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -2.932 5.397 -19.055 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.539 4.462 -18.142 1.00 0.00 N ATOM 0 H HIS A 80 1.747 7.555 -16.221 1.00 0.00 H new ATOM 0 HA HIS A 80 1.095 5.103 -17.119 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.095 7.607 -17.422 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.552 7.234 -19.072 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.780 4.255 -16.931 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.859 5.392 -19.610 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.073 3.637 -17.868 1.00 0.00 H new