USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 78 MET CE :methyl -164:sc= -0.0672 (180deg=-0.436) USER MOD Set 1.2: A 91 THR OG1 : rot 69:sc= 0.566 USER MOD Set 2.1: A 89 SER OG : rot 112:sc= 1.33 USER MOD Set 2.2: A 93 HIS : no HE2:sc= -2.29 K(o=-0.96,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.569 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -113:sc= -1.52! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.648) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.16 (180deg=1.12) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0244 (180deg=-0.163) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 0.972 (180deg=0.178) USER MOD Single : A 50 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.9) USER MOD Single : A 51 GLN : amide:sc= 0.291 X(o=0.29,f=-0.1) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0288) USER MOD Single : A 61 SER OG : rot 140:sc= -0.24 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 99:sc= 0.181 USER MOD Single : A 69 SER OG : rot 58:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0486 K(o=-0.049,f=-0.65) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.0269 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.710 0.867 15.686 1.00 6.55 N ATOM 2 CA GLY A 1 10.322 1.132 14.361 1.00 6.13 C ATOM 3 C GLY A 1 9.759 0.221 13.291 1.00 5.56 C ATOM 4 O GLY A 1 8.546 0.017 13.221 1.00 5.62 O ATOM 0 H1 GLY A 1 10.121 1.510 16.393 1.00 6.55 H new ATOM 0 H2 GLY A 1 8.683 1.023 15.631 1.00 6.55 H new ATOM 0 H3 GLY A 1 9.897 -0.118 15.964 1.00 6.55 H new ATOM 0 HA2 GLY A 1 10.149 2.171 14.082 1.00 6.13 H new ATOM 0 HA3 GLY A 1 11.401 0.994 14.425 1.00 6.13 H new ATOM 10 N ALA A 2 10.631 -0.326 12.460 1.00 5.41 N ATOM 11 CA ALA A 2 10.213 -1.261 11.429 1.00 5.31 C ATOM 12 C ALA A 2 10.746 -2.659 11.728 1.00 4.43 C ATOM 13 O ALA A 2 11.703 -3.126 11.103 1.00 4.77 O ATOM 14 CB ALA A 2 10.675 -0.784 10.060 1.00 6.37 C ATOM 0 H ALA A 2 11.633 -0.138 12.479 1.00 5.41 H new ATOM 0 HA ALA A 2 9.124 -1.308 11.422 1.00 5.31 H new ATOM 0 HB1 ALA A 2 10.354 -1.496 9.299 1.00 6.37 H new ATOM 0 HB2 ALA A 2 10.240 0.193 9.849 1.00 6.37 H new ATOM 0 HB3 ALA A 2 11.762 -0.707 10.049 1.00 6.37 H new ATOM 20 N MET A 3 10.133 -3.314 12.708 1.00 3.71 N ATOM 21 CA MET A 3 10.523 -4.666 13.092 1.00 3.29 C ATOM 22 C MET A 3 9.861 -5.686 12.179 1.00 2.27 C ATOM 23 O MET A 3 10.537 -6.425 11.463 1.00 2.62 O ATOM 24 CB MET A 3 10.146 -4.941 14.552 1.00 3.97 C ATOM 25 CG MET A 3 10.396 -6.374 14.997 1.00 4.59 C ATOM 26 SD MET A 3 12.125 -6.861 14.848 1.00 5.49 S ATOM 27 CE MET A 3 12.048 -8.543 15.460 1.00 6.18 C ATOM 0 H MET A 3 9.361 -2.929 13.253 1.00 3.71 H new ATOM 0 HA MET A 3 11.605 -4.753 12.991 1.00 3.29 H new ATOM 0 HB2 MET A 3 10.712 -4.268 15.196 1.00 3.97 H new ATOM 0 HB3 MET A 3 9.091 -4.706 14.694 1.00 3.97 H new ATOM 0 HG2 MET A 3 10.079 -6.488 16.034 1.00 4.59 H new ATOM 0 HG3 MET A 3 9.781 -7.047 14.400 1.00 4.59 H new ATOM 0 HE1 MET A 3 13.043 -8.986 15.432 1.00 6.18 H new ATOM 0 HE2 MET A 3 11.681 -8.540 16.486 1.00 6.18 H new ATOM 0 HE3 MET A 3 11.373 -9.127 14.835 1.00 6.18 H new ATOM 37 N GLU A 4 8.537 -5.709 12.201 1.00 1.66 N ATOM 38 CA GLU A 4 7.775 -6.637 11.381 1.00 1.27 C ATOM 39 C GLU A 4 7.698 -6.131 9.948 1.00 1.17 C ATOM 40 O GLU A 4 6.908 -5.242 9.639 1.00 1.64 O ATOM 41 CB GLU A 4 6.365 -6.818 11.945 1.00 2.01 C ATOM 42 CG GLU A 4 6.333 -7.342 13.368 1.00 2.51 C ATOM 43 CD GLU A 4 4.923 -7.493 13.894 1.00 3.17 C ATOM 44 OE1 GLU A 4 4.379 -6.510 14.438 1.00 3.76 O ATOM 45 OE2 GLU A 4 4.345 -8.595 13.760 1.00 3.52 O ATOM 0 H GLU A 4 7.967 -5.093 12.780 1.00 1.66 H new ATOM 0 HA GLU A 4 8.283 -7.602 11.391 1.00 1.27 H new ATOM 0 HB2 GLU A 4 5.845 -5.861 11.909 1.00 2.01 H new ATOM 0 HB3 GLU A 4 5.813 -7.505 11.303 1.00 2.01 H new ATOM 0 HG2 GLU A 4 6.839 -8.307 13.409 1.00 2.51 H new ATOM 0 HG3 GLU A 4 6.889 -6.663 14.015 1.00 2.51 H new ATOM 52 N ARG A 5 8.538 -6.679 9.086 1.00 0.96 N ATOM 53 CA ARG A 5 8.542 -6.298 7.684 1.00 0.91 C ATOM 54 C ARG A 5 8.365 -7.529 6.808 1.00 0.81 C ATOM 55 O ARG A 5 9.106 -8.507 6.943 1.00 0.84 O ATOM 56 CB ARG A 5 9.851 -5.597 7.316 1.00 0.98 C ATOM 57 CG ARG A 5 10.137 -4.349 8.134 1.00 1.45 C ATOM 58 CD ARG A 5 11.444 -3.705 7.711 1.00 1.50 C ATOM 59 NE ARG A 5 12.564 -4.645 7.787 1.00 2.16 N ATOM 60 CZ ARG A 5 13.514 -4.744 6.858 1.00 2.56 C ATOM 61 NH1 ARG A 5 13.480 -3.966 5.787 1.00 2.34 N ATOM 62 NH2 ARG A 5 14.488 -5.635 6.994 1.00 3.55 N ATOM 0 H ARG A 5 9.227 -7.390 9.333 1.00 0.96 H new ATOM 0 HA ARG A 5 7.714 -5.609 7.517 1.00 0.91 H new ATOM 0 HB2 ARG A 5 10.675 -6.299 7.444 1.00 0.98 H new ATOM 0 HB3 ARG A 5 9.822 -5.328 6.260 1.00 0.98 H new ATOM 0 HG2 ARG A 5 9.321 -3.636 8.013 1.00 1.45 H new ATOM 0 HG3 ARG A 5 10.181 -4.606 9.192 1.00 1.45 H new ATOM 0 HD2 ARG A 5 11.352 -3.332 6.691 1.00 1.50 H new ATOM 0 HD3 ARG A 5 11.648 -2.845 8.348 1.00 1.50 H new ATOM 0 HE ARG A 5 12.620 -5.260 8.599 1.00 2.16 H new ATOM 0 HH11 ARG A 5 12.726 -3.289 5.672 1.00 2.34 H new ATOM 0 HH12 ARG A 5 14.208 -4.043 5.077 1.00 2.34 H new ATOM 0 HH21 ARG A 5 14.510 -6.246 7.811 1.00 3.55 H new ATOM 0 HH22 ARG A 5 15.214 -5.709 6.282 1.00 3.55 H new ATOM 76 N GLU A 6 7.373 -7.495 5.935 1.00 0.77 N ATOM 77 CA GLU A 6 7.153 -8.577 4.992 1.00 0.72 C ATOM 78 C GLU A 6 8.144 -8.457 3.841 1.00 0.62 C ATOM 79 O GLU A 6 8.024 -7.566 3.001 1.00 0.73 O ATOM 80 CB GLU A 6 5.714 -8.538 4.479 1.00 0.85 C ATOM 81 CG GLU A 6 4.688 -8.715 5.587 1.00 1.17 C ATOM 82 CD GLU A 6 3.261 -8.557 5.108 1.00 1.78 C ATOM 83 OE1 GLU A 6 2.645 -7.511 5.395 1.00 2.22 O ATOM 84 OE2 GLU A 6 2.737 -9.488 4.461 1.00 2.46 O ATOM 0 H GLU A 6 6.706 -6.727 5.860 1.00 0.77 H new ATOM 0 HA GLU A 6 7.310 -9.534 5.490 1.00 0.72 H new ATOM 0 HB2 GLU A 6 5.538 -7.587 3.976 1.00 0.85 H new ATOM 0 HB3 GLU A 6 5.577 -9.322 3.735 1.00 0.85 H new ATOM 0 HG2 GLU A 6 4.808 -9.703 6.030 1.00 1.17 H new ATOM 0 HG3 GLU A 6 4.883 -7.987 6.374 1.00 1.17 H new ATOM 91 N ASP A 7 9.135 -9.343 3.822 1.00 0.54 N ATOM 92 CA ASP A 7 10.211 -9.272 2.837 1.00 0.53 C ATOM 93 C ASP A 7 9.743 -9.795 1.481 1.00 0.46 C ATOM 94 O ASP A 7 10.101 -10.897 1.055 1.00 0.55 O ATOM 95 CB ASP A 7 11.430 -10.055 3.326 1.00 0.71 C ATOM 96 CG ASP A 7 12.642 -9.859 2.440 1.00 1.68 C ATOM 97 OD1 ASP A 7 13.052 -10.828 1.767 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.167 -8.730 2.384 1.00 2.34 O ATOM 0 H ASP A 7 9.216 -10.120 4.478 1.00 0.54 H new ATOM 0 HA ASP A 7 10.496 -8.227 2.714 1.00 0.53 H new ATOM 0 HB2 ASP A 7 11.673 -9.744 4.342 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.183 -11.116 3.368 1.00 0.71 H new ATOM 103 N GLU A 8 8.910 -8.996 0.840 1.00 0.37 N ATOM 104 CA GLU A 8 8.359 -9.295 -0.466 1.00 0.34 C ATOM 105 C GLU A 8 7.663 -8.045 -0.971 1.00 0.28 C ATOM 106 O GLU A 8 7.293 -7.185 -0.175 1.00 0.29 O ATOM 107 CB GLU A 8 7.365 -10.456 -0.366 1.00 0.42 C ATOM 108 CG GLU A 8 6.747 -10.860 -1.695 1.00 0.46 C ATOM 109 CD GLU A 8 5.863 -12.080 -1.573 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.391 -13.213 -1.562 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.628 -11.910 -1.492 1.00 0.69 O ATOM 0 H GLU A 8 8.592 -8.105 1.221 1.00 0.37 H new ATOM 0 HA GLU A 8 9.150 -9.591 -1.155 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.873 -11.319 0.064 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.568 -10.179 0.324 1.00 0.42 H new ATOM 0 HG2 GLU A 8 6.162 -10.029 -2.088 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.540 -11.060 -2.415 1.00 0.46 H new ATOM 118 N CYS A 9 7.493 -7.927 -2.274 1.00 0.27 N ATOM 119 CA CYS A 9 6.792 -6.788 -2.819 1.00 0.25 C ATOM 120 C CYS A 9 5.301 -7.046 -2.821 1.00 0.32 C ATOM 121 O CYS A 9 4.823 -7.949 -3.505 1.00 0.38 O ATOM 122 CB CYS A 9 7.236 -6.492 -4.237 1.00 0.26 C ATOM 123 SG CYS A 9 6.306 -5.148 -4.993 1.00 0.30 S ATOM 0 H CYS A 9 7.827 -8.599 -2.965 1.00 0.27 H new ATOM 0 HA CYS A 9 7.025 -5.929 -2.189 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.296 -6.238 -4.235 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.124 -7.391 -4.843 1.00 0.26 H new ATOM 128 N PHE A 10 4.574 -6.239 -2.076 1.00 0.33 N ATOM 129 CA PHE A 10 3.128 -6.367 -1.996 1.00 0.41 C ATOM 130 C PHE A 10 2.463 -5.966 -3.321 1.00 0.48 C ATOM 131 O PHE A 10 1.346 -6.390 -3.617 1.00 0.57 O ATOM 132 CB PHE A 10 2.602 -5.516 -0.833 1.00 0.41 C ATOM 133 CG PHE A 10 1.113 -5.574 -0.653 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.320 -4.496 -1.008 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.509 -6.707 -0.132 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.047 -4.545 -0.846 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.859 -6.761 0.033 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.636 -5.677 -0.326 1.00 0.59 C ATOM 0 H PHE A 10 4.961 -5.482 -1.513 1.00 0.33 H new ATOM 0 HA PHE A 10 2.875 -7.411 -1.812 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.081 -5.845 0.089 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.897 -4.479 -0.994 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.778 -3.607 -1.416 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.115 -7.556 0.148 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.656 -3.698 -1.126 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.321 -7.648 0.441 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.708 -5.717 -0.199 1.00 0.59 H new ATOM 148 N SER A 11 3.164 -5.172 -4.126 1.00 0.46 N ATOM 149 CA SER A 11 2.630 -4.725 -5.410 1.00 0.54 C ATOM 150 C SER A 11 2.706 -5.829 -6.463 1.00 0.57 C ATOM 151 O SER A 11 1.748 -6.062 -7.200 1.00 0.69 O ATOM 152 CB SER A 11 3.394 -3.496 -5.914 1.00 0.54 C ATOM 153 OG SER A 11 3.372 -2.449 -4.964 1.00 0.96 O ATOM 0 H SER A 11 4.100 -4.826 -3.913 1.00 0.46 H new ATOM 0 HA SER A 11 1.583 -4.465 -5.251 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.426 -3.771 -6.131 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.953 -3.150 -6.849 1.00 0.54 H new ATOM 0 HG SER A 11 3.869 -1.680 -5.313 1.00 0.96 H new ATOM 159 N CYS A 12 3.843 -6.513 -6.527 1.00 0.48 N ATOM 160 CA CYS A 12 4.080 -7.479 -7.595 1.00 0.53 C ATOM 161 C CYS A 12 3.901 -8.915 -7.108 1.00 0.55 C ATOM 162 O CYS A 12 3.559 -9.804 -7.887 1.00 0.62 O ATOM 163 CB CYS A 12 5.490 -7.303 -8.164 1.00 0.51 C ATOM 164 SG CYS A 12 5.891 -5.606 -8.647 1.00 0.49 S ATOM 0 H CYS A 12 4.609 -6.419 -5.860 1.00 0.48 H new ATOM 0 HA CYS A 12 3.343 -7.291 -8.375 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.214 -7.637 -7.421 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.602 -7.952 -9.033 1.00 0.51 H new ATOM 169 N GLY A 13 4.129 -9.136 -5.819 1.00 0.51 N ATOM 170 CA GLY A 13 4.076 -10.480 -5.274 1.00 0.55 C ATOM 171 C GLY A 13 5.411 -11.187 -5.400 1.00 0.54 C ATOM 172 O GLY A 13 5.536 -12.368 -5.073 1.00 0.61 O ATOM 0 H GLY A 13 4.350 -8.407 -5.140 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.785 -10.436 -4.225 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.309 -11.054 -5.794 1.00 0.55 H new ATOM 176 N ASP A 14 6.407 -10.451 -5.874 1.00 0.49 N ATOM 177 CA ASP A 14 7.745 -10.988 -6.076 1.00 0.49 C ATOM 178 C ASP A 14 8.737 -10.346 -5.121 1.00 0.38 C ATOM 179 O ASP A 14 8.457 -9.308 -4.524 1.00 0.32 O ATOM 180 CB ASP A 14 8.207 -10.762 -7.520 1.00 0.55 C ATOM 181 CG ASP A 14 7.596 -11.750 -8.492 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.800 -11.328 -9.359 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.912 -12.955 -8.395 1.00 0.85 O ATOM 0 H ASP A 14 6.311 -9.468 -6.129 1.00 0.49 H new ATOM 0 HA ASP A 14 7.705 -12.059 -5.877 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.946 -9.749 -7.826 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.293 -10.839 -7.566 1.00 0.55 H new ATOM 188 N ALA A 15 9.893 -10.971 -4.982 1.00 0.41 N ATOM 189 CA ALA A 15 10.950 -10.456 -4.133 1.00 0.36 C ATOM 190 C ALA A 15 12.201 -10.195 -4.957 1.00 0.40 C ATOM 191 O ALA A 15 12.363 -10.755 -6.039 1.00 0.47 O ATOM 192 CB ALA A 15 11.248 -11.419 -3.002 1.00 0.42 C ATOM 0 H ALA A 15 10.124 -11.846 -5.453 1.00 0.41 H new ATOM 0 HA ALA A 15 10.616 -9.515 -3.696 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.044 -11.012 -2.378 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.351 -11.561 -2.399 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.564 -12.377 -3.414 1.00 0.42 H new ATOM 198 N GLY A 16 13.064 -9.330 -4.456 1.00 0.40 N ATOM 199 CA GLY A 16 14.251 -8.952 -5.192 1.00 0.48 C ATOM 200 C GLY A 16 14.804 -7.629 -4.712 1.00 0.49 C ATOM 201 O GLY A 16 15.116 -7.481 -3.531 1.00 1.04 O ATOM 0 H GLY A 16 12.964 -8.879 -3.547 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.010 -9.726 -5.082 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.016 -8.885 -6.254 1.00 0.48 H new ATOM 205 N GLN A 17 14.908 -6.662 -5.614 1.00 0.52 N ATOM 206 CA GLN A 17 15.395 -5.337 -5.258 1.00 0.49 C ATOM 207 C GLN A 17 14.285 -4.553 -4.562 1.00 0.39 C ATOM 208 O GLN A 17 13.542 -3.796 -5.192 1.00 0.41 O ATOM 209 CB GLN A 17 15.890 -4.592 -6.501 1.00 0.61 C ATOM 210 CG GLN A 17 16.526 -3.248 -6.191 1.00 0.67 C ATOM 211 CD GLN A 17 17.058 -2.550 -7.429 1.00 0.93 C ATOM 212 OE1 GLN A 17 18.214 -2.730 -7.811 1.00 1.56 O ATOM 213 NE2 GLN A 17 16.218 -1.752 -8.067 1.00 1.52 N ATOM 0 H GLN A 17 14.661 -6.771 -6.598 1.00 0.52 H new ATOM 0 HA GLN A 17 16.237 -5.439 -4.573 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.615 -5.216 -7.024 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.052 -4.440 -7.181 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.791 -2.606 -5.705 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.341 -3.392 -5.482 1.00 0.67 H new ATOM 0 HE21 GLN A 17 15.267 -1.629 -7.719 1.00 1.52 H new ATOM 0 HE22 GLN A 17 16.521 -1.260 -8.907 1.00 1.52 H new ATOM 222 N LEU A 18 14.173 -4.763 -3.259 1.00 0.34 N ATOM 223 CA LEU A 18 13.091 -4.193 -2.474 1.00 0.27 C ATOM 224 C LEU A 18 13.538 -2.960 -1.702 1.00 0.31 C ATOM 225 O LEU A 18 14.716 -2.789 -1.393 1.00 0.42 O ATOM 226 CB LEU A 18 12.547 -5.232 -1.489 1.00 0.24 C ATOM 227 CG LEU A 18 11.855 -6.441 -2.118 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.634 -7.531 -1.082 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.530 -6.033 -2.735 1.00 0.17 C ATOM 0 H LEU A 18 14.826 -5.330 -2.719 1.00 0.34 H new ATOM 0 HA LEU A 18 12.309 -3.895 -3.172 1.00 0.27 H new ATOM 0 HB2 LEU A 18 13.372 -5.589 -0.873 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.841 -4.738 -0.822 1.00 0.24 H new ATOM 0 HG LEU A 18 12.502 -6.833 -2.903 1.00 0.21 H new ATOM 0 HD11 LEU A 18 11.140 -8.383 -1.550 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.595 -7.847 -0.675 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.008 -7.146 -0.277 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.051 -6.906 -3.178 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.882 -5.616 -1.964 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.704 -5.283 -3.507 1.00 0.17 H new ATOM 241 N VAL A 19 12.580 -2.096 -1.423 1.00 0.29 N ATOM 242 CA VAL A 19 12.771 -0.970 -0.533 1.00 0.32 C ATOM 243 C VAL A 19 11.673 -0.995 0.529 1.00 0.30 C ATOM 244 O VAL A 19 10.489 -1.137 0.214 1.00 0.27 O ATOM 245 CB VAL A 19 12.769 0.382 -1.295 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.531 0.531 -2.169 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.884 1.551 -0.327 1.00 0.42 C ATOM 0 H VAL A 19 11.639 -2.158 -1.812 1.00 0.29 H new ATOM 0 HA VAL A 19 13.750 -1.059 -0.061 1.00 0.32 H new ATOM 0 HB VAL A 19 13.640 0.388 -1.950 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.564 1.490 -2.687 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.503 -0.276 -2.901 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.638 0.486 -1.546 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.880 2.487 -0.885 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.040 1.537 0.363 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.814 1.467 0.236 1.00 0.42 H new ATOM 257 N SER A 20 12.072 -0.902 1.786 1.00 0.34 N ATOM 258 CA SER A 20 11.132 -1.011 2.889 1.00 0.33 C ATOM 259 C SER A 20 10.679 0.368 3.348 1.00 0.33 C ATOM 260 O SER A 20 11.421 1.346 3.240 1.00 0.35 O ATOM 261 CB SER A 20 11.776 -1.780 4.048 1.00 0.39 C ATOM 262 OG SER A 20 10.903 -1.898 5.160 1.00 0.47 O ATOM 0 H SER A 20 13.040 -0.751 2.068 1.00 0.34 H new ATOM 0 HA SER A 20 10.253 -1.558 2.548 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.064 -2.774 3.707 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.689 -1.272 4.357 1.00 0.39 H new ATOM 0 HG SER A 20 11.260 -1.381 5.912 1.00 0.47 H new ATOM 268 N CYS A 21 9.454 0.440 3.854 1.00 0.33 N ATOM 269 CA CYS A 21 8.930 1.678 4.397 1.00 0.35 C ATOM 270 C CYS A 21 9.564 1.921 5.758 1.00 0.40 C ATOM 271 O CYS A 21 9.469 1.076 6.648 1.00 0.43 O ATOM 272 CB CYS A 21 7.405 1.608 4.530 1.00 0.37 C ATOM 273 SG CYS A 21 6.601 3.200 4.839 1.00 0.34 S ATOM 0 H CYS A 21 8.807 -0.348 3.898 1.00 0.33 H new ATOM 0 HA CYS A 21 9.171 2.500 3.723 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.993 1.179 3.616 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.155 0.926 5.343 1.00 0.37 H new ATOM 278 N LYS A 22 10.214 3.063 5.918 1.00 0.52 N ATOM 279 CA LYS A 22 10.904 3.372 7.161 1.00 0.61 C ATOM 280 C LYS A 22 9.955 4.054 8.142 1.00 0.63 C ATOM 281 O LYS A 22 10.367 4.841 8.994 1.00 0.78 O ATOM 282 CB LYS A 22 12.138 4.235 6.879 1.00 0.74 C ATOM 283 CG LYS A 22 13.150 3.530 5.985 1.00 1.35 C ATOM 284 CD LYS A 22 14.375 4.387 5.706 1.00 1.65 C ATOM 285 CE LYS A 22 15.376 3.637 4.836 1.00 2.25 C ATOM 286 NZ LYS A 22 16.602 4.434 4.570 1.00 2.79 N ATOM 0 H LYS A 22 10.278 3.790 5.205 1.00 0.52 H new ATOM 0 HA LYS A 22 11.242 2.444 7.621 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.826 5.166 6.406 1.00 0.74 H new ATOM 0 HB3 LYS A 22 12.615 4.501 7.822 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.462 2.599 6.458 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.674 3.264 5.041 1.00 1.35 H new ATOM 0 HD2 LYS A 22 14.073 5.309 5.208 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.846 4.672 6.647 1.00 1.65 H new ATOM 0 HE2 LYS A 22 15.652 2.703 5.326 1.00 2.25 H new ATOM 0 HE3 LYS A 22 14.905 3.373 3.889 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 17.252 3.882 3.975 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 16.344 5.314 4.078 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 17.068 4.665 5.471 1.00 2.79 H new ATOM 300 N LYS A 23 8.679 3.729 8.013 1.00 0.60 N ATOM 301 CA LYS A 23 7.651 4.262 8.888 1.00 0.66 C ATOM 302 C LYS A 23 7.248 3.196 9.905 1.00 0.65 C ATOM 303 O LYS A 23 6.802 2.114 9.519 1.00 0.61 O ATOM 304 CB LYS A 23 6.428 4.686 8.070 1.00 0.75 C ATOM 305 CG LYS A 23 5.383 5.449 8.871 1.00 1.23 C ATOM 306 CD LYS A 23 5.917 6.780 9.374 1.00 1.50 C ATOM 307 CE LYS A 23 4.836 7.583 10.080 1.00 1.95 C ATOM 308 NZ LYS A 23 3.698 7.887 9.172 1.00 2.27 N ATOM 0 H LYS A 23 8.328 3.089 7.300 1.00 0.60 H new ATOM 0 HA LYS A 23 8.043 5.135 9.410 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.758 5.307 7.237 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.965 3.798 7.641 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.504 5.622 8.250 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.061 4.843 9.718 1.00 1.23 H new ATOM 0 HD2 LYS A 23 6.747 6.605 10.058 1.00 1.50 H new ATOM 0 HD3 LYS A 23 6.311 7.355 8.536 1.00 1.50 H new ATOM 0 HE2 LYS A 23 4.474 7.026 10.944 1.00 1.95 H new ATOM 0 HE3 LYS A 23 5.261 8.514 10.456 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 3.138 8.669 9.567 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 4.063 8.160 8.237 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 3.096 7.044 9.076 1.00 2.27 H new ATOM 322 N PRO A 24 7.403 3.478 11.211 1.00 0.77 N ATOM 323 CA PRO A 24 7.079 2.509 12.264 1.00 0.83 C ATOM 324 C PRO A 24 5.642 2.003 12.166 1.00 0.80 C ATOM 325 O PRO A 24 4.698 2.793 12.082 1.00 0.86 O ATOM 326 CB PRO A 24 7.273 3.302 13.560 1.00 1.01 C ATOM 327 CG PRO A 24 8.209 4.402 13.201 1.00 1.18 C ATOM 328 CD PRO A 24 7.903 4.750 11.768 1.00 0.93 C ATOM 0 HA PRO A 24 7.704 1.618 12.196 1.00 0.83 H new ATOM 0 HB2 PRO A 24 6.325 3.695 13.928 1.00 1.01 H new ATOM 0 HB3 PRO A 24 7.686 2.674 14.349 1.00 1.01 H new ATOM 0 HG2 PRO A 24 8.067 5.265 13.852 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.246 4.085 13.314 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.157 5.542 11.696 1.00 0.93 H new ATOM 0 HD3 PRO A 24 8.790 5.099 11.240 1.00 0.93 H new ATOM 336 N GLY A 25 5.482 0.685 12.189 1.00 0.76 N ATOM 337 CA GLY A 25 4.158 0.097 12.112 1.00 0.75 C ATOM 338 C GLY A 25 3.762 -0.304 10.700 1.00 0.65 C ATOM 339 O GLY A 25 2.713 -0.919 10.500 1.00 0.83 O ATOM 0 H GLY A 25 6.246 0.013 12.260 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.119 -0.781 12.756 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.428 0.808 12.499 1.00 0.75 H new ATOM 343 N CYS A 26 4.587 0.039 9.721 1.00 0.48 N ATOM 344 CA CYS A 26 4.307 -0.306 8.334 1.00 0.39 C ATOM 345 C CYS A 26 5.096 -1.556 7.939 1.00 0.34 C ATOM 346 O CYS A 26 6.309 -1.494 7.742 1.00 0.40 O ATOM 347 CB CYS A 26 4.677 0.866 7.425 1.00 0.44 C ATOM 348 SG CYS A 26 3.875 0.860 5.802 1.00 0.35 S ATOM 0 H CYS A 26 5.455 0.556 9.861 1.00 0.48 H new ATOM 0 HA CYS A 26 3.243 -0.515 8.223 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.424 1.795 7.935 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.757 0.866 7.280 1.00 0.44 H new ATOM 353 N PRO A 27 4.415 -2.706 7.819 1.00 0.37 N ATOM 354 CA PRO A 27 5.062 -3.978 7.511 1.00 0.45 C ATOM 355 C PRO A 27 5.161 -4.251 6.010 1.00 0.45 C ATOM 356 O PRO A 27 5.453 -5.372 5.595 1.00 0.66 O ATOM 357 CB PRO A 27 4.112 -4.980 8.168 1.00 0.57 C ATOM 358 CG PRO A 27 2.758 -4.369 8.006 1.00 0.57 C ATOM 359 CD PRO A 27 2.959 -2.868 7.993 1.00 0.44 C ATOM 0 HA PRO A 27 6.093 -4.017 7.863 1.00 0.45 H new ATOM 0 HB2 PRO A 27 4.168 -5.956 7.686 1.00 0.57 H new ATOM 0 HB3 PRO A 27 4.357 -5.130 9.219 1.00 0.57 H new ATOM 0 HG2 PRO A 27 2.289 -4.705 7.081 1.00 0.57 H new ATOM 0 HG3 PRO A 27 2.099 -4.665 8.823 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.405 -2.398 7.181 1.00 0.44 H new ATOM 0 HD3 PRO A 27 2.614 -2.411 8.920 1.00 0.44 H new ATOM 367 N LYS A 28 4.939 -3.223 5.202 1.00 0.30 N ATOM 368 CA LYS A 28 4.850 -3.403 3.758 1.00 0.30 C ATOM 369 C LYS A 28 6.137 -2.995 3.050 1.00 0.27 C ATOM 370 O LYS A 28 6.727 -1.953 3.349 1.00 0.31 O ATOM 371 CB LYS A 28 3.653 -2.629 3.193 1.00 0.32 C ATOM 372 CG LYS A 28 2.448 -3.515 2.883 1.00 0.42 C ATOM 373 CD LYS A 28 2.042 -4.365 4.080 1.00 0.52 C ATOM 374 CE LYS A 28 0.841 -5.238 3.761 1.00 0.70 C ATOM 375 NZ LYS A 28 0.489 -6.126 4.898 1.00 1.00 N ATOM 0 H LYS A 28 4.818 -2.261 5.519 1.00 0.30 H new ATOM 0 HA LYS A 28 4.702 -4.467 3.571 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.356 -1.862 3.908 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.960 -2.114 2.282 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.607 -2.891 2.580 1.00 0.42 H new ATOM 0 HG3 LYS A 28 2.683 -4.165 2.040 1.00 0.42 H new ATOM 0 HD2 LYS A 28 2.880 -4.993 4.382 1.00 0.52 H new ATOM 0 HD3 LYS A 28 1.808 -3.717 4.925 1.00 0.52 H new ATOM 0 HE2 LYS A 28 -0.013 -4.606 3.515 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.055 -5.843 2.880 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 -0.495 -6.448 4.796 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.124 -6.950 4.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.591 -5.603 5.791 1.00 1.00 H new ATOM 389 N VAL A 29 6.548 -3.828 2.098 1.00 0.23 N ATOM 390 CA VAL A 29 7.775 -3.624 1.342 1.00 0.20 C ATOM 391 C VAL A 29 7.463 -3.698 -0.159 1.00 0.18 C ATOM 392 O VAL A 29 6.532 -4.397 -0.569 1.00 0.21 O ATOM 393 CB VAL A 29 8.836 -4.682 1.736 1.00 0.22 C ATOM 394 CG1 VAL A 29 10.063 -4.604 0.856 1.00 0.31 C ATOM 395 CG2 VAL A 29 9.242 -4.519 3.192 1.00 0.44 C ATOM 0 H VAL A 29 6.035 -4.668 1.830 1.00 0.23 H new ATOM 0 HA VAL A 29 8.183 -2.640 1.573 1.00 0.20 H new ATOM 0 HB VAL A 29 8.378 -5.661 1.595 1.00 0.22 H new ATOM 0 HG11 VAL A 29 10.782 -5.363 1.166 1.00 0.31 H new ATOM 0 HG12 VAL A 29 9.778 -4.777 -0.182 1.00 0.31 H new ATOM 0 HG13 VAL A 29 10.515 -3.616 0.949 1.00 0.31 H new ATOM 0 HG21 VAL A 29 9.988 -5.272 3.448 1.00 0.44 H new ATOM 0 HG22 VAL A 29 9.663 -3.525 3.343 1.00 0.44 H new ATOM 0 HG23 VAL A 29 8.367 -4.643 3.830 1.00 0.44 H new ATOM 405 N TYR A 30 8.216 -2.959 -0.968 1.00 0.19 N ATOM 406 CA TYR A 30 7.925 -2.829 -2.397 1.00 0.20 C ATOM 407 C TYR A 30 9.219 -2.679 -3.185 1.00 0.20 C ATOM 408 O TYR A 30 10.277 -2.492 -2.603 1.00 0.21 O ATOM 409 CB TYR A 30 7.056 -1.595 -2.658 1.00 0.29 C ATOM 410 CG TYR A 30 5.768 -1.528 -1.866 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.640 -2.235 -2.270 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.684 -0.770 -0.709 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.467 -2.183 -1.541 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.516 -0.713 0.025 1.00 0.57 C ATOM 415 CZ TYR A 30 3.392 -1.389 -0.429 1.00 0.60 C ATOM 416 OH TYR A 30 2.247 -1.362 0.335 1.00 0.72 O ATOM 0 H TYR A 30 9.037 -2.438 -0.659 1.00 0.19 H new ATOM 0 HA TYR A 30 7.395 -3.727 -2.714 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.644 -0.704 -2.438 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.812 -1.562 -3.720 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.682 -2.834 -3.168 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.548 -0.214 -0.375 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.612 -2.767 -1.848 1.00 0.55 H new ATOM 0 HE2 TYR A 30 4.477 -0.147 0.944 1.00 0.57 H new ATOM 0 HH TYR A 30 2.369 -0.745 1.086 1.00 0.72 H new ATOM 426 N HIS A 31 9.135 -2.780 -4.505 1.00 0.23 N ATOM 427 CA HIS A 31 10.281 -2.492 -5.364 1.00 0.26 C ATOM 428 C HIS A 31 10.299 -1.008 -5.683 1.00 0.32 C ATOM 429 O HIS A 31 9.248 -0.390 -5.838 1.00 0.35 O ATOM 430 CB HIS A 31 10.219 -3.258 -6.694 1.00 0.28 C ATOM 431 CG HIS A 31 10.140 -4.740 -6.572 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.073 -5.433 -7.073 1.00 0.30 N ATOM 433 CD2 HIS A 31 11.018 -5.611 -6.031 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.310 -6.709 -6.822 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.488 -6.871 -6.192 1.00 0.28 N ATOM 0 H HIS A 31 8.290 -3.058 -5.005 1.00 0.23 H new ATOM 0 HA HIS A 31 11.177 -2.803 -4.826 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.352 -2.909 -7.255 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.101 -3.005 -7.282 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.959 -5.366 -5.561 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.644 -7.517 -7.088 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.905 -7.752 -5.893 1.00 0.28 H new ATOM 443 N ALA A 32 11.489 -0.446 -5.798 1.00 0.38 N ATOM 444 CA ALA A 32 11.640 0.943 -6.191 1.00 0.45 C ATOM 445 C ALA A 32 11.122 1.150 -7.610 1.00 0.48 C ATOM 446 O ALA A 32 10.649 2.232 -7.964 1.00 0.55 O ATOM 447 CB ALA A 32 13.093 1.370 -6.075 1.00 0.53 C ATOM 0 H ALA A 32 12.368 -0.933 -5.624 1.00 0.38 H new ATOM 0 HA ALA A 32 11.049 1.565 -5.519 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.190 2.414 -6.373 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.425 1.255 -5.043 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.708 0.748 -6.725 1.00 0.53 H new ATOM 453 N ASP A 33 11.227 0.101 -8.420 1.00 0.48 N ATOM 454 CA ASP A 33 10.774 0.145 -9.807 1.00 0.55 C ATOM 455 C ASP A 33 9.258 0.319 -9.901 1.00 0.54 C ATOM 456 O ASP A 33 8.777 1.240 -10.560 1.00 0.62 O ATOM 457 CB ASP A 33 11.202 -1.121 -10.557 1.00 0.60 C ATOM 458 CG ASP A 33 10.739 -1.119 -12.001 1.00 1.35 C ATOM 459 OD1 ASP A 33 9.754 -1.819 -12.310 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.354 -0.413 -12.833 1.00 2.01 O ATOM 0 H ASP A 33 11.624 -0.795 -8.138 1.00 0.48 H new ATOM 0 HA ASP A 33 11.243 1.012 -10.273 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.288 -1.209 -10.526 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.797 -1.996 -10.049 1.00 0.60 H new ATOM 465 N CYS A 34 8.511 -0.540 -9.215 1.00 0.48 N ATOM 466 CA CYS A 34 7.052 -0.532 -9.309 1.00 0.52 C ATOM 467 C CYS A 34 6.459 0.656 -8.557 1.00 0.56 C ATOM 468 O CYS A 34 5.291 0.999 -8.738 1.00 0.67 O ATOM 469 CB CYS A 34 6.486 -1.847 -8.763 1.00 0.50 C ATOM 470 SG CYS A 34 7.260 -2.370 -7.221 1.00 0.44 S ATOM 0 H CYS A 34 8.889 -1.250 -8.588 1.00 0.48 H new ATOM 0 HA CYS A 34 6.776 -0.434 -10.359 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.414 -1.735 -8.603 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.617 -2.629 -9.511 1.00 0.50 H new ATOM 475 N LEU A 35 7.266 1.273 -7.704 1.00 0.52 N ATOM 476 CA LEU A 35 6.849 2.468 -6.986 1.00 0.58 C ATOM 477 C LEU A 35 7.174 3.728 -7.774 1.00 0.67 C ATOM 478 O LEU A 35 6.825 4.833 -7.363 1.00 0.74 O ATOM 479 CB LEU A 35 7.537 2.541 -5.631 1.00 0.55 C ATOM 480 CG LEU A 35 7.119 1.486 -4.616 1.00 0.49 C ATOM 481 CD1 LEU A 35 8.021 1.577 -3.404 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.664 1.666 -4.211 1.00 0.54 C ATOM 0 H LEU A 35 8.215 0.964 -7.493 1.00 0.52 H new ATOM 0 HA LEU A 35 5.769 2.406 -6.849 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.613 2.462 -5.787 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.349 3.525 -5.202 1.00 0.55 H new ATOM 0 HG LEU A 35 7.216 0.500 -5.069 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.726 0.824 -2.674 1.00 0.48 H new ATOM 0 HD12 LEU A 35 9.054 1.405 -3.706 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.933 2.568 -2.959 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.391 0.900 -3.485 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.530 2.652 -3.766 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.027 1.576 -5.091 1.00 0.54 H new ATOM 494 N ASN A 36 7.862 3.547 -8.901 1.00 0.68 N ATOM 495 CA ASN A 36 8.242 4.652 -9.779 1.00 0.77 C ATOM 496 C ASN A 36 9.143 5.644 -9.045 1.00 0.78 C ATOM 497 O ASN A 36 9.087 6.849 -9.294 1.00 0.87 O ATOM 498 CB ASN A 36 6.995 5.366 -10.321 1.00 0.86 C ATOM 499 CG ASN A 36 6.062 4.436 -11.081 1.00 1.46 C ATOM 500 OD1 ASN A 36 5.167 3.820 -10.498 1.00 2.09 O ATOM 501 ND2 ASN A 36 6.259 4.327 -12.385 1.00 2.13 N ATOM 0 H ASN A 36 8.171 2.632 -9.230 1.00 0.68 H new ATOM 0 HA ASN A 36 8.799 4.238 -10.620 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.452 5.818 -9.491 1.00 0.86 H new ATOM 0 HB3 ASN A 36 7.305 6.178 -10.979 1.00 0.86 H new ATOM 0 HD21 ASN A 36 5.660 3.718 -12.942 1.00 2.13 H new ATOM 0 HD22 ASN A 36 7.010 4.852 -12.833 1.00 2.13 H new ATOM 508 N LEU A 37 9.982 5.124 -8.149 1.00 0.71 N ATOM 509 CA LEU A 37 10.860 5.958 -7.333 1.00 0.75 C ATOM 510 C LEU A 37 12.026 6.510 -8.146 1.00 0.83 C ATOM 511 O LEU A 37 13.153 6.021 -8.038 1.00 0.88 O ATOM 512 CB LEU A 37 11.418 5.171 -6.140 1.00 0.69 C ATOM 513 CG LEU A 37 10.405 4.741 -5.077 1.00 0.69 C ATOM 514 CD1 LEU A 37 11.112 4.080 -3.905 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.597 5.929 -4.592 1.00 0.78 C ATOM 0 H LEU A 37 10.071 4.124 -7.971 1.00 0.71 H new ATOM 0 HA LEU A 37 10.254 6.789 -6.971 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.914 4.278 -6.521 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.183 5.779 -5.657 1.00 0.69 H new ATOM 0 HG LEU A 37 9.725 4.020 -5.530 1.00 0.69 H new ATOM 0 HD11 LEU A 37 10.377 3.780 -3.158 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.652 3.201 -4.255 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.815 4.784 -3.460 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.883 5.600 -3.837 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.267 6.672 -4.159 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.059 6.370 -5.431 1.00 0.78 H new ATOM 527 N THR A 38 11.758 7.523 -8.956 1.00 0.91 N ATOM 528 CA THR A 38 12.810 8.193 -9.697 1.00 1.03 C ATOM 529 C THR A 38 13.698 8.991 -8.742 1.00 1.04 C ATOM 530 O THR A 38 14.903 9.121 -8.952 1.00 1.14 O ATOM 531 CB THR A 38 12.219 9.123 -10.774 1.00 1.16 C ATOM 532 OG1 THR A 38 11.308 8.381 -11.599 1.00 1.43 O ATOM 533 CG2 THR A 38 13.313 9.727 -11.640 1.00 1.59 C ATOM 0 H THR A 38 10.822 7.897 -9.115 1.00 0.91 H new ATOM 0 HA THR A 38 13.413 7.434 -10.196 1.00 1.03 H new ATOM 0 HB THR A 38 11.692 9.936 -10.274 1.00 1.16 H new ATOM 0 HG1 THR A 38 10.930 8.972 -12.283 1.00 1.43 H new ATOM 0 HG21 THR A 38 12.865 10.378 -12.390 1.00 1.59 H new ATOM 0 HG22 THR A 38 13.993 10.307 -11.016 1.00 1.59 H new ATOM 0 HG23 THR A 38 13.867 8.930 -12.136 1.00 1.59 H new ATOM 541 N LYS A 39 13.097 9.498 -7.673 1.00 0.99 N ATOM 542 CA LYS A 39 13.840 10.241 -6.667 1.00 1.02 C ATOM 543 C LYS A 39 14.090 9.355 -5.458 1.00 0.94 C ATOM 544 O LYS A 39 13.142 8.921 -4.801 1.00 0.96 O ATOM 545 CB LYS A 39 13.070 11.490 -6.224 1.00 1.12 C ATOM 546 CG LYS A 39 12.684 12.425 -7.361 1.00 1.57 C ATOM 547 CD LYS A 39 11.875 13.613 -6.858 1.00 1.98 C ATOM 548 CE LYS A 39 10.588 13.174 -6.170 1.00 2.58 C ATOM 549 NZ LYS A 39 9.732 12.340 -7.057 1.00 3.17 N ATOM 0 H LYS A 39 12.099 9.408 -7.482 1.00 0.99 H new ATOM 0 HA LYS A 39 14.788 10.552 -7.106 1.00 1.02 H new ATOM 0 HB2 LYS A 39 12.165 11.178 -5.703 1.00 1.12 H new ATOM 0 HB3 LYS A 39 13.678 12.041 -5.506 1.00 1.12 H new ATOM 0 HG2 LYS A 39 13.584 12.782 -7.861 1.00 1.57 H new ATOM 0 HG3 LYS A 39 12.104 11.877 -8.103 1.00 1.57 H new ATOM 0 HD2 LYS A 39 12.479 14.195 -6.161 1.00 1.98 H new ATOM 0 HD3 LYS A 39 11.634 14.268 -7.695 1.00 1.98 H new ATOM 0 HE2 LYS A 39 10.833 12.610 -5.270 1.00 2.58 H new ATOM 0 HE3 LYS A 39 10.029 14.054 -5.852 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 8.806 12.192 -6.607 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 9.601 12.824 -7.968 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 10.190 11.420 -7.217 1.00 3.17 H new ATOM 563 N ARG A 40 15.355 9.076 -5.169 1.00 0.97 N ATOM 564 CA ARG A 40 15.697 8.282 -3.997 1.00 0.95 C ATOM 565 C ARG A 40 15.476 9.110 -2.736 1.00 0.91 C ATOM 566 O ARG A 40 16.158 10.115 -2.523 1.00 1.01 O ATOM 567 CB ARG A 40 17.147 7.792 -4.062 1.00 1.10 C ATOM 568 CG ARG A 40 17.512 6.854 -2.919 1.00 1.80 C ATOM 569 CD ARG A 40 18.943 6.348 -3.031 1.00 1.93 C ATOM 570 NE ARG A 40 19.924 7.423 -2.902 1.00 2.49 N ATOM 571 CZ ARG A 40 21.236 7.251 -3.048 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.723 6.051 -3.331 1.00 2.66 N ATOM 573 NH2 ARG A 40 22.061 8.282 -2.909 1.00 3.84 N ATOM 0 H ARG A 40 16.153 9.384 -5.724 1.00 0.97 H new ATOM 0 HA ARG A 40 15.050 7.405 -3.974 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.309 7.280 -5.010 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.816 8.652 -4.046 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.384 7.373 -1.969 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.827 6.006 -2.913 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.123 5.601 -2.258 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.076 5.851 -3.992 1.00 1.93 H new ATOM 0 HE ARG A 40 19.584 8.360 -2.687 1.00 2.49 H new ATOM 0 HH11 ARG A 40 21.092 5.257 -3.437 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.729 5.922 -3.442 1.00 2.66 H new ATOM 0 HH21 ARG A 40 21.690 9.206 -2.690 1.00 3.84 H new ATOM 0 HH22 ARG A 40 23.066 8.150 -3.021 1.00 3.84 H new ATOM 587 N PRO A 41 14.515 8.708 -1.891 1.00 0.85 N ATOM 588 CA PRO A 41 14.135 9.479 -0.704 1.00 0.87 C ATOM 589 C PRO A 41 15.259 9.573 0.322 1.00 0.96 C ATOM 590 O PRO A 41 16.046 8.639 0.487 1.00 1.05 O ATOM 591 CB PRO A 41 12.958 8.695 -0.124 1.00 0.88 C ATOM 592 CG PRO A 41 13.135 7.310 -0.638 1.00 0.96 C ATOM 593 CD PRO A 41 13.726 7.467 -2.011 1.00 0.86 C ATOM 0 HA PRO A 41 13.896 10.511 -0.960 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.967 8.717 0.966 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.005 9.117 -0.444 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.794 6.732 0.010 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.183 6.781 -0.678 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.351 6.616 -2.282 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.954 7.552 -2.776 1.00 0.86 H new ATOM 601 N ALA A 42 15.327 10.704 1.004 1.00 1.05 N ATOM 602 CA ALA A 42 16.313 10.917 2.048 1.00 1.18 C ATOM 603 C ALA A 42 15.615 11.156 3.382 1.00 1.15 C ATOM 604 O ALA A 42 14.639 11.904 3.449 1.00 1.21 O ATOM 605 CB ALA A 42 17.210 12.093 1.694 1.00 1.41 C ATOM 0 H ALA A 42 14.703 11.496 0.850 1.00 1.05 H new ATOM 0 HA ALA A 42 16.935 10.026 2.135 1.00 1.18 H new ATOM 0 HB1 ALA A 42 17.945 12.241 2.485 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.724 11.888 0.755 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.605 12.993 1.587 1.00 1.41 H new ATOM 611 N GLY A 43 16.104 10.516 4.436 1.00 1.17 N ATOM 612 CA GLY A 43 15.489 10.667 5.742 1.00 1.18 C ATOM 613 C GLY A 43 14.246 9.817 5.888 1.00 1.04 C ATOM 614 O GLY A 43 14.326 8.590 5.956 1.00 1.12 O ATOM 0 H GLY A 43 16.914 9.896 4.411 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.208 10.393 6.514 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.232 11.714 5.902 1.00 1.18 H new ATOM 618 N LYS A 44 13.094 10.461 5.923 1.00 1.00 N ATOM 619 CA LYS A 44 11.833 9.755 6.060 1.00 0.92 C ATOM 620 C LYS A 44 11.175 9.540 4.710 1.00 0.80 C ATOM 621 O LYS A 44 10.943 10.488 3.960 1.00 0.84 O ATOM 622 CB LYS A 44 10.874 10.521 6.964 1.00 1.04 C ATOM 623 CG LYS A 44 11.167 10.372 8.446 1.00 1.53 C ATOM 624 CD LYS A 44 10.116 11.075 9.297 1.00 1.94 C ATOM 625 CE LYS A 44 8.700 10.689 8.886 1.00 2.69 C ATOM 626 NZ LYS A 44 8.476 9.217 8.928 1.00 3.46 N ATOM 0 H LYS A 44 13.005 11.475 5.858 1.00 1.00 H new ATOM 0 HA LYS A 44 12.055 8.786 6.507 1.00 0.92 H new ATOM 0 HB2 LYS A 44 10.911 11.578 6.702 1.00 1.04 H new ATOM 0 HB3 LYS A 44 9.857 10.180 6.769 1.00 1.04 H new ATOM 0 HG2 LYS A 44 11.200 9.314 8.707 1.00 1.53 H new ATOM 0 HG3 LYS A 44 12.151 10.785 8.667 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.271 10.823 10.346 1.00 1.94 H new ATOM 0 HD3 LYS A 44 10.239 12.154 9.207 1.00 1.94 H new ATOM 0 HE2 LYS A 44 7.986 11.181 9.547 1.00 2.69 H new ATOM 0 HE3 LYS A 44 8.505 11.054 7.878 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 8.180 8.884 7.988 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 9.358 8.739 9.203 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 7.733 8.999 9.622 1.00 3.46 H new ATOM 640 N TRP A 45 10.891 8.291 4.394 1.00 0.72 N ATOM 641 CA TRP A 45 10.115 7.971 3.217 1.00 0.62 C ATOM 642 C TRP A 45 8.780 7.362 3.620 1.00 0.53 C ATOM 643 O TRP A 45 8.736 6.297 4.242 1.00 0.53 O ATOM 644 CB TRP A 45 10.870 7.016 2.296 1.00 0.62 C ATOM 645 CG TRP A 45 10.071 6.625 1.090 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.655 7.450 0.082 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.585 5.319 0.765 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.939 6.738 -0.845 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.883 5.428 -0.450 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.676 4.068 1.383 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.275 4.335 -1.056 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.071 2.982 0.777 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.380 3.123 -0.430 1.00 0.42 C ATOM 0 H TRP A 45 11.188 7.482 4.939 1.00 0.72 H new ATOM 0 HA TRP A 45 9.938 8.897 2.670 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.799 7.486 1.975 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.142 6.119 2.853 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.861 8.509 0.025 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.517 7.121 -1.691 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.208 3.952 2.315 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.739 4.439 -1.988 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.133 2.010 1.243 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.919 2.256 -0.878 1.00 0.42 H new ATOM 664 N GLU A 46 7.702 8.050 3.287 1.00 0.51 N ATOM 665 CA GLU A 46 6.364 7.538 3.524 1.00 0.48 C ATOM 666 C GLU A 46 5.874 6.830 2.262 1.00 0.39 C ATOM 667 O GLU A 46 5.737 7.464 1.213 1.00 0.42 O ATOM 668 CB GLU A 46 5.415 8.689 3.876 1.00 0.60 C ATOM 669 CG GLU A 46 5.913 9.595 4.997 1.00 1.17 C ATOM 670 CD GLU A 46 5.854 8.946 6.366 1.00 1.33 C ATOM 671 OE1 GLU A 46 6.901 8.452 6.837 1.00 1.73 O ATOM 672 OE2 GLU A 46 4.759 8.900 6.966 1.00 1.82 O ATOM 0 H GLU A 46 7.728 8.971 2.849 1.00 0.51 H new ATOM 0 HA GLU A 46 6.384 6.836 4.357 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.249 9.293 2.984 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.449 8.273 4.163 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.941 9.890 4.787 1.00 1.17 H new ATOM 0 HG3 GLU A 46 5.316 10.507 5.009 1.00 1.17 H new ATOM 679 N CYS A 47 5.652 5.520 2.345 1.00 0.32 N ATOM 680 CA CYS A 47 5.178 4.758 1.190 1.00 0.28 C ATOM 681 C CYS A 47 3.823 5.291 0.715 1.00 0.26 C ATOM 682 O CYS A 47 3.027 5.789 1.514 1.00 0.27 O ATOM 683 CB CYS A 47 5.065 3.259 1.524 1.00 0.28 C ATOM 684 SG CYS A 47 3.668 2.822 2.588 1.00 0.26 S ATOM 0 H CYS A 47 5.791 4.967 3.191 1.00 0.32 H new ATOM 0 HA CYS A 47 5.907 4.878 0.389 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.983 2.699 0.593 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.987 2.939 2.009 1.00 0.28 H new ATOM 689 N PRO A 48 3.546 5.195 -0.601 1.00 0.27 N ATOM 690 CA PRO A 48 2.290 5.685 -1.195 1.00 0.29 C ATOM 691 C PRO A 48 1.062 4.921 -0.700 1.00 0.27 C ATOM 692 O PRO A 48 -0.066 5.236 -1.069 1.00 0.30 O ATOM 693 CB PRO A 48 2.490 5.466 -2.700 1.00 0.35 C ATOM 694 CG PRO A 48 3.534 4.410 -2.797 1.00 0.34 C ATOM 695 CD PRO A 48 4.442 4.617 -1.618 1.00 0.29 C ATOM 0 HA PRO A 48 2.099 6.723 -0.924 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.563 5.151 -3.180 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.809 6.384 -3.194 1.00 0.35 H new ATOM 0 HG2 PRO A 48 3.087 3.416 -2.776 1.00 0.34 H new ATOM 0 HG3 PRO A 48 4.086 4.491 -3.734 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.883 3.679 -1.280 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.266 5.289 -1.857 1.00 0.29 H new ATOM 703 N TRP A 49 1.298 3.921 0.143 1.00 0.24 N ATOM 704 CA TRP A 49 0.220 3.169 0.776 1.00 0.23 C ATOM 705 C TRP A 49 -0.314 3.963 1.969 1.00 0.23 C ATOM 706 O TRP A 49 -1.229 3.533 2.668 1.00 0.27 O ATOM 707 CB TRP A 49 0.738 1.796 1.223 1.00 0.22 C ATOM 708 CG TRP A 49 -0.328 0.749 1.382 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.288 0.405 0.472 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.524 -0.108 2.514 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.062 -0.619 0.965 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.614 -0.949 2.218 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.118 -0.248 3.749 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -2.075 -1.914 3.110 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.342 -1.202 4.634 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.429 -2.027 4.312 1.00 0.32 C ATOM 0 H TRP A 49 2.234 3.611 0.405 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.591 3.013 0.065 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.470 1.444 0.496 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.261 1.911 2.172 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.420 0.870 -0.494 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.842 -1.061 0.478 1.00 0.27 H new ATOM 0 HE3 TRP A 49 0.959 0.379 4.005 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.912 -2.550 2.863 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.144 -1.315 5.592 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.763 -2.766 5.026 1.00 0.32 H new ATOM 727 N HIS A 50 0.299 5.119 2.211 1.00 0.23 N ATOM 728 CA HIS A 50 -0.195 6.062 3.203 1.00 0.24 C ATOM 729 C HIS A 50 -0.868 7.240 2.507 1.00 0.25 C ATOM 730 O HIS A 50 -1.226 8.236 3.143 1.00 0.29 O ATOM 731 CB HIS A 50 0.951 6.590 4.074 1.00 0.27 C ATOM 732 CG HIS A 50 1.763 5.531 4.758 1.00 0.28 C ATOM 733 ND1 HIS A 50 1.258 4.334 5.218 1.00 0.32 N ATOM 734 CD2 HIS A 50 3.081 5.529 5.084 1.00 0.30 C ATOM 735 CE1 HIS A 50 2.262 3.659 5.798 1.00 0.35 C ATOM 736 NE2 HIS A 50 3.391 4.344 5.749 1.00 0.34 N ATOM 0 H HIS A 50 1.144 5.424 1.728 1.00 0.23 H new ATOM 0 HA HIS A 50 -0.913 5.541 3.837 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.614 7.191 3.451 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.536 7.255 4.831 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.780 6.322 4.863 1.00 0.30 H new ATOM 0 HE1 HIS A 50 2.161 2.682 6.247 1.00 0.35 H new ATOM 0 HE2 HIS A 50 4.299 4.064 6.120 1.00 0.34 H new ATOM 744 N GLN A 51 -1.036 7.126 1.197 1.00 0.25 N ATOM 745 CA GLN A 51 -1.548 8.228 0.394 1.00 0.28 C ATOM 746 C GLN A 51 -2.824 7.835 -0.327 1.00 0.24 C ATOM 747 O GLN A 51 -2.913 6.764 -0.926 1.00 0.26 O ATOM 748 CB GLN A 51 -0.497 8.684 -0.620 1.00 0.38 C ATOM 749 CG GLN A 51 0.770 9.204 0.029 1.00 0.48 C ATOM 750 CD GLN A 51 0.567 10.547 0.704 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.776 11.593 0.093 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.142 10.537 1.960 1.00 0.86 N ATOM 0 H GLN A 51 -0.825 6.280 0.667 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.775 9.053 1.069 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.246 7.849 -1.275 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.923 9.466 -1.249 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.121 8.480 0.765 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.551 9.295 -0.726 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.021 9.650 2.436 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.022 11.416 2.450 1.00 0.86 H new ATOM 761 N CYS A 52 -3.811 8.706 -0.256 1.00 0.23 N ATOM 762 CA CYS A 52 -5.076 8.473 -0.922 1.00 0.21 C ATOM 763 C CYS A 52 -4.888 8.517 -2.433 1.00 0.26 C ATOM 764 O CYS A 52 -4.429 9.517 -2.980 1.00 0.31 O ATOM 765 CB CYS A 52 -6.094 9.520 -0.481 1.00 0.22 C ATOM 766 SG CYS A 52 -7.729 9.360 -1.238 1.00 0.23 S ATOM 0 H CYS A 52 -3.760 9.585 0.259 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.447 7.485 -0.648 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.204 9.465 0.602 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.699 10.509 -0.711 1.00 0.22 H new ATOM 771 N ASP A 53 -5.252 7.425 -3.094 1.00 0.28 N ATOM 772 CA ASP A 53 -5.107 7.295 -4.545 1.00 0.35 C ATOM 773 C ASP A 53 -5.878 8.389 -5.283 1.00 0.36 C ATOM 774 O ASP A 53 -5.563 8.722 -6.422 1.00 0.42 O ATOM 775 CB ASP A 53 -5.589 5.906 -4.999 1.00 0.39 C ATOM 776 CG ASP A 53 -5.482 5.696 -6.499 1.00 0.51 C ATOM 777 OD1 ASP A 53 -6.504 5.861 -7.200 1.00 0.56 O ATOM 778 OD2 ASP A 53 -4.383 5.346 -6.983 1.00 0.64 O ATOM 0 H ASP A 53 -5.656 6.604 -2.643 1.00 0.28 H new ATOM 0 HA ASP A 53 -4.051 7.408 -4.791 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -5.004 5.141 -4.489 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.626 5.771 -4.693 1.00 0.39 H new ATOM 783 N VAL A 54 -6.869 8.969 -4.616 1.00 0.33 N ATOM 784 CA VAL A 54 -7.713 9.973 -5.243 1.00 0.36 C ATOM 785 C VAL A 54 -7.158 11.385 -5.051 1.00 0.37 C ATOM 786 O VAL A 54 -6.887 12.084 -6.025 1.00 0.44 O ATOM 787 CB VAL A 54 -9.157 9.909 -4.707 1.00 0.34 C ATOM 788 CG1 VAL A 54 -10.024 10.972 -5.357 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.754 8.532 -4.935 1.00 0.33 C ATOM 0 H VAL A 54 -7.105 8.761 -3.646 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.721 9.748 -6.309 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.125 10.100 -3.634 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -11.038 10.906 -4.962 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.614 11.958 -5.141 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -10.044 10.816 -6.436 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.773 8.509 -4.549 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.765 8.312 -6.003 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -9.153 7.785 -4.417 1.00 0.33 H new ATOM 799 N CYS A 55 -6.972 11.807 -3.801 1.00 0.34 N ATOM 800 CA CYS A 55 -6.606 13.198 -3.537 1.00 0.36 C ATOM 801 C CYS A 55 -5.141 13.360 -3.126 1.00 0.35 C ATOM 802 O CYS A 55 -4.633 14.477 -3.064 1.00 0.41 O ATOM 803 CB CYS A 55 -7.525 13.801 -2.472 1.00 0.37 C ATOM 804 SG CYS A 55 -7.433 13.007 -0.848 1.00 0.32 S ATOM 0 H CYS A 55 -7.066 11.221 -2.972 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.734 13.738 -4.475 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.281 14.857 -2.358 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.554 13.748 -2.828 1.00 0.37 H new ATOM 809 N GLY A 56 -4.466 12.252 -2.842 1.00 0.33 N ATOM 810 CA GLY A 56 -3.063 12.320 -2.463 1.00 0.36 C ATOM 811 C GLY A 56 -2.850 12.720 -1.016 1.00 0.38 C ATOM 812 O GLY A 56 -1.714 12.832 -0.563 1.00 0.49 O ATOM 0 H GLY A 56 -4.861 11.312 -2.866 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.600 11.349 -2.636 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.554 13.035 -3.109 1.00 0.36 H new ATOM 816 N LYS A 57 -3.934 12.937 -0.284 1.00 0.35 N ATOM 817 CA LYS A 57 -3.826 13.318 1.115 1.00 0.39 C ATOM 818 C LYS A 57 -3.692 12.095 2.013 1.00 0.33 C ATOM 819 O LYS A 57 -3.641 10.959 1.529 1.00 0.33 O ATOM 820 CB LYS A 57 -5.027 14.162 1.551 1.00 0.48 C ATOM 821 CG LYS A 57 -5.091 15.524 0.882 1.00 0.65 C ATOM 822 CD LYS A 57 -6.274 16.331 1.395 1.00 0.78 C ATOM 823 CE LYS A 57 -6.257 17.757 0.864 1.00 1.16 C ATOM 824 NZ LYS A 57 -6.379 17.810 -0.615 1.00 1.91 N ATOM 0 H LYS A 57 -4.889 12.856 -0.632 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.923 13.920 1.218 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.944 13.615 1.330 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.990 14.299 2.632 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.166 16.069 1.070 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.173 15.399 -0.198 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -7.203 15.844 1.098 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -6.257 16.349 2.485 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -7.075 18.320 1.314 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -5.330 18.244 1.167 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -6.431 18.802 -0.924 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -5.550 17.355 -1.048 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -7.242 17.310 -0.910 1.00 1.91 H new ATOM 838 N GLU A 58 -3.639 12.348 3.315 1.00 0.35 N ATOM 839 CA GLU A 58 -3.486 11.304 4.323 1.00 0.37 C ATOM 840 C GLU A 58 -4.543 10.211 4.153 1.00 0.30 C ATOM 841 O GLU A 58 -5.747 10.474 4.240 1.00 0.36 O ATOM 842 CB GLU A 58 -3.599 11.925 5.719 1.00 0.51 C ATOM 843 CG GLU A 58 -3.248 10.977 6.853 1.00 0.88 C ATOM 844 CD GLU A 58 -1.763 10.695 6.943 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.010 11.592 7.379 1.00 1.50 O ATOM 846 OE2 GLU A 58 -1.342 9.569 6.600 1.00 2.03 O ATOM 0 H GLU A 58 -3.701 13.289 3.704 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.505 10.845 4.200 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.944 12.795 5.772 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.618 12.284 5.863 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.590 11.403 7.796 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -3.784 10.038 6.715 1.00 0.88 H new ATOM 853 N ALA A 59 -4.088 8.996 3.890 1.00 0.26 N ATOM 854 CA ALA A 59 -4.985 7.860 3.743 1.00 0.21 C ATOM 855 C ALA A 59 -5.405 7.320 5.104 1.00 0.23 C ATOM 856 O ALA A 59 -4.617 7.310 6.053 1.00 0.30 O ATOM 857 CB ALA A 59 -4.324 6.764 2.930 1.00 0.22 C ATOM 0 H ALA A 59 -3.100 8.771 3.774 1.00 0.26 H new ATOM 0 HA ALA A 59 -5.877 8.200 3.217 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.009 5.922 2.830 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.072 7.146 1.941 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.415 6.435 3.434 1.00 0.22 H new ATOM 863 N ALA A 60 -6.649 6.875 5.187 1.00 0.20 N ATOM 864 CA ALA A 60 -7.191 6.335 6.420 1.00 0.23 C ATOM 865 C ALA A 60 -7.400 4.836 6.292 1.00 0.23 C ATOM 866 O ALA A 60 -7.126 4.075 7.221 1.00 0.30 O ATOM 867 CB ALA A 60 -8.499 7.025 6.768 1.00 0.27 C ATOM 0 H ALA A 60 -7.306 6.878 4.407 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.478 6.518 7.224 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -8.894 6.610 7.695 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.324 8.093 6.894 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.218 6.868 5.964 1.00 0.27 H new ATOM 873 N SER A 61 -7.875 4.418 5.130 1.00 0.21 N ATOM 874 CA SER A 61 -8.109 3.018 4.860 1.00 0.23 C ATOM 875 C SER A 61 -7.149 2.534 3.786 1.00 0.20 C ATOM 876 O SER A 61 -6.723 3.309 2.925 1.00 0.30 O ATOM 877 CB SER A 61 -9.554 2.817 4.422 1.00 0.30 C ATOM 878 OG SER A 61 -9.862 3.633 3.307 1.00 0.35 O ATOM 0 H SER A 61 -8.106 5.039 4.355 1.00 0.21 H new ATOM 0 HA SER A 61 -7.935 2.437 5.765 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.719 1.770 4.168 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.225 3.054 5.248 1.00 0.30 H new ATOM 0 HG SER A 61 -10.420 3.130 2.678 1.00 0.35 H new ATOM 884 N PHE A 62 -6.804 1.260 3.834 1.00 0.21 N ATOM 885 CA PHE A 62 -5.796 0.722 2.939 1.00 0.20 C ATOM 886 C PHE A 62 -6.318 -0.530 2.241 1.00 0.19 C ATOM 887 O PHE A 62 -6.822 -1.442 2.899 1.00 0.22 O ATOM 888 CB PHE A 62 -4.532 0.386 3.742 1.00 0.26 C ATOM 889 CG PHE A 62 -4.181 1.425 4.777 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.408 1.198 6.125 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.605 2.629 4.396 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.068 2.146 7.069 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.267 3.581 5.337 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.571 3.343 6.697 1.00 0.47 C ATOM 0 H PHE A 62 -7.205 0.581 4.481 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.559 1.467 2.179 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.671 -0.575 4.237 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.694 0.273 3.054 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.857 0.268 6.441 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.419 2.824 3.350 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.202 1.926 8.118 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -2.777 4.496 5.038 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.406 4.115 7.434 1.00 0.47 H new ATOM 904 N CYS A 63 -6.228 -0.567 0.913 1.00 0.18 N ATOM 905 CA CYS A 63 -6.590 -1.772 0.178 1.00 0.18 C ATOM 906 C CYS A 63 -5.552 -2.849 0.450 1.00 0.19 C ATOM 907 O CYS A 63 -4.363 -2.651 0.210 1.00 0.22 O ATOM 908 CB CYS A 63 -6.696 -1.517 -1.331 1.00 0.20 C ATOM 909 SG CYS A 63 -7.457 -2.893 -2.227 1.00 0.23 S ATOM 0 H CYS A 63 -5.913 0.211 0.334 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.573 -2.097 0.520 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.280 -0.612 -1.501 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.700 -1.334 -1.734 1.00 0.20 H new ATOM 914 N GLU A 64 -6.008 -3.987 0.942 1.00 0.19 N ATOM 915 CA GLU A 64 -5.109 -5.059 1.343 1.00 0.23 C ATOM 916 C GLU A 64 -4.795 -5.976 0.167 1.00 0.25 C ATOM 917 O GLU A 64 -4.429 -7.139 0.353 1.00 0.29 O ATOM 918 CB GLU A 64 -5.722 -5.861 2.489 1.00 0.24 C ATOM 919 CG GLU A 64 -6.004 -5.023 3.728 1.00 0.24 C ATOM 920 CD GLU A 64 -6.592 -5.834 4.858 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.822 -6.501 5.576 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.832 -5.809 5.030 1.00 0.32 O ATOM 0 H GLU A 64 -6.998 -4.195 1.074 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.176 -4.611 1.684 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.652 -6.316 2.148 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.047 -6.675 2.755 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.078 -4.556 4.064 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.691 -4.218 3.468 1.00 0.24 H new ATOM 929 N MET A 65 -4.952 -5.455 -1.047 1.00 0.27 N ATOM 930 CA MET A 65 -4.620 -6.213 -2.251 1.00 0.32 C ATOM 931 C MET A 65 -3.748 -5.406 -3.211 1.00 0.35 C ATOM 932 O MET A 65 -3.189 -5.962 -4.159 1.00 0.44 O ATOM 933 CB MET A 65 -5.890 -6.656 -2.974 1.00 0.34 C ATOM 934 CG MET A 65 -6.766 -7.597 -2.162 1.00 0.36 C ATOM 935 SD MET A 65 -8.273 -8.073 -3.028 1.00 0.70 S ATOM 936 CE MET A 65 -9.013 -9.178 -1.827 1.00 1.54 C ATOM 0 H MET A 65 -5.306 -4.515 -1.223 1.00 0.27 H new ATOM 0 HA MET A 65 -4.056 -7.088 -1.930 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.471 -5.773 -3.240 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.613 -7.148 -3.906 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.197 -8.493 -1.915 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.030 -7.117 -1.220 1.00 0.36 H new ATOM 0 HE1 MET A 65 -9.957 -9.559 -2.216 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.337 -10.012 -1.635 1.00 1.54 H new ATOM 0 HE3 MET A 65 -9.195 -8.637 -0.898 1.00 1.54 H new ATOM 946 N CYS A 66 -3.617 -4.105 -2.972 1.00 0.32 N ATOM 947 CA CYS A 66 -2.856 -3.248 -3.869 1.00 0.34 C ATOM 948 C CYS A 66 -2.434 -1.975 -3.139 1.00 0.33 C ATOM 949 O CYS A 66 -2.979 -1.663 -2.079 1.00 0.32 O ATOM 950 CB CYS A 66 -3.706 -2.896 -5.096 1.00 0.35 C ATOM 951 SG CYS A 66 -5.002 -1.685 -4.769 1.00 0.32 S ATOM 0 H CYS A 66 -4.026 -3.625 -2.170 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.962 -3.778 -4.198 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.053 -2.511 -5.879 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.163 -3.807 -5.482 1.00 0.35 H new ATOM 956 N PRO A 67 -1.463 -1.219 -3.691 1.00 0.35 N ATOM 957 CA PRO A 67 -0.965 0.018 -3.076 1.00 0.37 C ATOM 958 C PRO A 67 -1.919 1.204 -3.248 1.00 0.37 C ATOM 959 O PRO A 67 -1.484 2.358 -3.262 1.00 0.46 O ATOM 960 CB PRO A 67 0.354 0.296 -3.823 1.00 0.41 C ATOM 961 CG PRO A 67 0.610 -0.919 -4.649 1.00 0.42 C ATOM 962 CD PRO A 67 -0.741 -1.510 -4.934 1.00 0.38 C ATOM 0 HA PRO A 67 -0.852 -0.101 -1.998 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.271 1.185 -4.448 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.171 0.474 -3.124 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.128 -0.662 -5.573 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.243 -1.628 -4.116 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.215 -1.048 -5.800 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.685 -2.580 -5.134 1.00 0.38 H new ATOM 970 N SER A 68 -3.207 0.924 -3.398 1.00 0.33 N ATOM 971 CA SER A 68 -4.209 1.976 -3.489 1.00 0.33 C ATOM 972 C SER A 68 -4.918 2.157 -2.150 1.00 0.27 C ATOM 973 O SER A 68 -5.799 1.378 -1.785 1.00 0.40 O ATOM 974 CB SER A 68 -5.230 1.656 -4.583 1.00 0.37 C ATOM 975 OG SER A 68 -4.594 1.471 -5.836 1.00 0.46 O ATOM 0 H SER A 68 -3.582 -0.023 -3.459 1.00 0.33 H new ATOM 0 HA SER A 68 -3.702 2.906 -3.746 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.783 0.756 -4.316 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.955 2.466 -4.656 1.00 0.37 H new ATOM 0 HG SER A 68 -4.485 0.513 -6.009 1.00 0.46 H new ATOM 981 N SER A 69 -4.515 3.178 -1.417 1.00 0.21 N ATOM 982 CA SER A 69 -5.138 3.499 -0.144 1.00 0.17 C ATOM 983 C SER A 69 -6.020 4.737 -0.299 1.00 0.16 C ATOM 984 O SER A 69 -5.842 5.507 -1.241 1.00 0.18 O ATOM 985 CB SER A 69 -4.052 3.711 0.912 1.00 0.24 C ATOM 986 OG SER A 69 -2.983 4.482 0.391 1.00 0.38 O ATOM 0 H SER A 69 -3.754 3.803 -1.683 1.00 0.21 H new ATOM 0 HA SER A 69 -5.773 2.675 0.181 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.477 4.213 1.781 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.677 2.746 1.253 1.00 0.24 H new ATOM 0 HG SER A 69 -3.326 5.342 0.069 1.00 0.38 H new ATOM 992 N PHE A 70 -6.974 4.932 0.605 1.00 0.15 N ATOM 993 CA PHE A 70 -7.932 6.022 0.458 1.00 0.15 C ATOM 994 C PHE A 70 -8.108 6.780 1.768 1.00 0.16 C ATOM 995 O PHE A 70 -7.921 6.228 2.851 1.00 0.18 O ATOM 996 CB PHE A 70 -9.288 5.483 -0.009 1.00 0.16 C ATOM 997 CG PHE A 70 -9.232 4.726 -1.306 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.120 5.398 -2.513 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.297 3.342 -1.317 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.071 4.703 -3.707 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.248 2.642 -2.507 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.135 3.323 -3.704 1.00 0.25 C ATOM 0 H PHE A 70 -7.104 4.357 1.438 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.539 6.709 -0.291 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.693 4.830 0.764 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.981 6.317 -0.117 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.070 6.477 -2.521 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.387 2.804 -0.385 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.983 5.238 -4.641 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.298 1.563 -2.502 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.097 2.778 -4.635 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.453 8.057 1.660 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.704 8.884 2.832 1.00 0.22 C ATOM 1014 C CYS A 71 -10.114 8.629 3.362 1.00 0.23 C ATOM 1015 O CYS A 71 -10.867 7.869 2.753 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.529 10.363 2.481 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.795 11.006 1.366 1.00 0.26 S ATOM 0 H CYS A 71 -8.565 8.543 0.770 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.985 8.622 3.609 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.538 10.948 3.401 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.550 10.504 2.023 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.478 9.264 4.471 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.802 9.065 5.064 1.00 0.33 C ATOM 1024 C LYS A 72 -12.909 9.398 4.067 1.00 0.34 C ATOM 1025 O LYS A 72 -13.969 8.772 4.067 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.967 9.918 6.319 1.00 0.40 C ATOM 1027 CG LYS A 72 -10.994 9.560 7.427 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.203 10.426 8.657 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.172 10.111 9.726 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.330 10.967 10.929 1.00 1.23 N ATOM 0 H LYS A 72 -9.881 9.918 4.977 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.884 8.013 5.336 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.835 10.967 6.055 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.986 9.809 6.692 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.117 8.511 7.695 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.972 9.679 7.067 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.136 11.478 8.381 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.205 10.264 9.054 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.259 9.063 10.014 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.172 10.247 9.315 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.605 10.716 11.631 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.221 11.966 10.661 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.274 10.819 11.339 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.640 10.366 3.205 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.612 10.810 2.217 1.00 0.36 C ATOM 1046 C GLN A 73 -13.719 9.824 1.062 1.00 0.31 C ATOM 1047 O GLN A 73 -14.809 9.373 0.711 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.223 12.184 1.676 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.204 13.274 2.733 1.00 1.17 C ATOM 1050 CD GLN A 73 -14.573 13.541 3.328 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -15.595 13.398 2.658 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -14.607 13.917 4.599 1.00 2.20 N ATOM 0 H GLN A 73 -11.750 10.863 3.170 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.582 10.870 2.711 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.236 12.118 1.217 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.922 12.466 0.889 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -12.516 12.989 3.529 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.819 14.194 2.293 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -13.738 14.025 5.122 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -15.502 14.098 5.053 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.579 9.468 0.495 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.558 8.716 -0.756 1.00 0.21 C ATOM 1063 C HIS A 74 -12.508 7.212 -0.528 1.00 0.19 C ATOM 1064 O HIS A 74 -12.233 6.447 -1.449 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.382 9.171 -1.630 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.494 10.609 -2.037 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.407 11.451 -2.067 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.600 11.305 -2.376 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.882 12.637 -2.410 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.206 12.594 -2.610 1.00 0.34 N ATOM 0 H HIS A 74 -11.658 9.684 0.876 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.492 8.926 -1.276 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.450 9.022 -1.085 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.333 8.547 -2.522 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.605 10.918 -2.449 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.279 13.527 -2.515 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.805 13.373 -2.884 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.769 6.785 0.698 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.864 5.362 0.994 1.00 0.20 C ATOM 1080 C ARG A 75 -14.288 4.868 0.792 1.00 0.23 C ATOM 1081 O ARG A 75 -14.519 3.677 0.575 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.394 5.058 2.418 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.210 5.734 3.504 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.634 5.452 4.884 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.363 6.154 5.939 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.158 5.963 7.243 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.317 5.025 7.660 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.818 6.689 8.133 1.00 0.92 N ATOM 0 H ARG A 75 -12.918 7.398 1.500 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.208 4.834 0.302 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.424 3.980 2.575 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.353 5.366 2.518 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.232 6.810 3.329 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.241 5.383 3.459 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.663 4.379 5.076 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.586 5.752 4.907 1.00 0.39 H new ATOM 0 HE ARG A 75 -14.072 6.832 5.661 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.823 4.445 6.982 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.165 4.884 8.659 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.484 7.396 7.821 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.660 6.541 9.130 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.241 5.793 0.844 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.642 5.451 0.669 1.00 0.34 C ATOM 1104 C GLU A 76 -16.893 4.981 -0.757 1.00 0.32 C ATOM 1105 O GLU A 76 -16.574 5.689 -1.710 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.533 6.654 0.983 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.550 7.037 2.453 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.478 8.198 2.740 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.706 7.984 2.814 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.987 9.335 2.885 1.00 1.65 O ATOM 0 H GLU A 76 -15.065 6.785 1.006 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.887 4.645 1.360 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.193 7.509 0.398 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.551 6.434 0.663 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.857 6.176 3.046 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.540 7.297 2.769 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.434 3.779 -0.900 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.757 3.259 -2.216 1.00 0.42 C ATOM 1119 C GLY A 77 -16.552 2.718 -2.966 1.00 0.40 C ATOM 1120 O GLY A 77 -16.689 1.821 -3.796 1.00 0.58 O ATOM 0 H GLY A 77 -17.656 3.152 -0.127 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.497 2.465 -2.113 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.218 4.050 -2.807 1.00 0.42 H new ATOM 1124 N MET A 78 -15.376 3.257 -2.679 1.00 0.29 N ATOM 1125 CA MET A 78 -14.162 2.869 -3.392 1.00 0.27 C ATOM 1126 C MET A 78 -13.494 1.669 -2.734 1.00 0.24 C ATOM 1127 O MET A 78 -12.820 0.881 -3.399 1.00 0.28 O ATOM 1128 CB MET A 78 -13.173 4.039 -3.466 1.00 0.29 C ATOM 1129 CG MET A 78 -13.681 5.229 -4.276 1.00 0.35 C ATOM 1130 SD MET A 78 -14.080 4.791 -5.981 1.00 0.58 S ATOM 1131 CE MET A 78 -12.475 4.278 -6.593 1.00 1.51 C ATOM 0 H MET A 78 -15.234 3.964 -1.958 1.00 0.29 H new ATOM 0 HA MET A 78 -14.455 2.590 -4.404 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.944 4.372 -2.454 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.240 3.686 -3.904 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.568 5.640 -3.794 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.925 6.014 -4.274 1.00 0.35 H new ATOM 0 HE1 MET A 78 -12.493 4.252 -7.683 1.00 1.51 H new ATOM 0 HE2 MET A 78 -11.715 4.985 -6.259 1.00 1.51 H new ATOM 0 HE3 MET A 78 -12.240 3.285 -6.210 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.674 1.538 -1.428 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.104 0.423 -0.695 1.00 0.22 C ATOM 1143 C LEU A 79 -14.214 -0.328 0.033 1.00 0.25 C ATOM 1144 O LEU A 79 -15.155 0.288 0.544 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.062 0.947 0.301 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.041 -0.077 0.808 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.182 -0.593 -0.331 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.165 0.545 1.878 1.00 0.27 C ATOM 0 H LEU A 79 -14.210 2.191 -0.857 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.614 -0.263 -1.386 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.520 1.768 -0.169 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.587 1.362 1.161 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.585 -0.918 1.237 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.465 -1.318 0.054 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.816 -1.071 -1.078 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.646 0.239 -0.789 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.443 -0.192 2.231 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.635 1.402 1.462 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.786 0.873 2.712 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.111 -1.647 0.073 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.114 -2.480 0.719 1.00 0.31 C ATOM 1162 C PHE A 80 -14.460 -3.714 1.326 1.00 0.31 C ATOM 1163 O PHE A 80 -13.309 -4.023 1.026 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.201 -2.892 -0.293 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.678 -3.610 -1.513 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.473 -2.929 -2.707 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.394 -4.968 -1.469 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -14.999 -3.588 -3.824 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -14.920 -5.628 -2.585 1.00 0.46 C ATOM 1170 CZ PHE A 80 -14.720 -4.937 -3.762 1.00 0.45 C ATOM 0 H PHE A 80 -13.336 -2.168 -0.338 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.584 -1.906 1.517 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.923 -3.535 0.210 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.738 -2.000 -0.614 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.687 -1.872 -2.762 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.546 -5.515 -0.550 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.847 -3.047 -4.746 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -14.706 -6.685 -2.537 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.345 -5.452 -4.634 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.188 -4.405 2.187 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.690 -5.626 2.802 1.00 0.38 C ATOM 1182 C ILE A 81 -14.986 -6.832 1.921 1.00 0.42 C ATOM 1183 O ILE A 81 -16.110 -7.015 1.452 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.304 -5.843 4.205 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.746 -4.825 5.201 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -15.043 -7.256 4.701 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.279 -5.024 5.525 1.00 0.44 C ATOM 0 H ILE A 81 -16.129 -4.141 2.477 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.611 -5.518 2.911 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.382 -5.700 4.124 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.886 -3.822 4.798 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.323 -4.881 6.124 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.485 -7.382 5.689 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.488 -7.972 4.010 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.968 -7.428 4.760 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.957 -4.264 6.237 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.133 -6.013 5.959 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.690 -4.938 4.612 1.00 0.44 H new ATOM 1199 N SER A 82 -13.964 -7.637 1.687 1.00 0.41 N ATOM 1200 CA SER A 82 -14.117 -8.876 0.954 1.00 0.47 C ATOM 1201 C SER A 82 -14.787 -9.912 1.842 1.00 0.54 C ATOM 1202 O SER A 82 -14.322 -10.181 2.944 1.00 0.61 O ATOM 1203 CB SER A 82 -12.748 -9.384 0.495 1.00 0.57 C ATOM 1204 OG SER A 82 -12.854 -10.624 -0.181 1.00 0.79 O ATOM 0 H SER A 82 -13.011 -7.449 1.999 1.00 0.41 H new ATOM 0 HA SER A 82 -14.738 -8.701 0.076 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.288 -8.648 -0.164 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.092 -9.494 1.358 1.00 0.57 H new ATOM 0 HG SER A 82 -11.963 -10.920 -0.463 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.875 -10.492 1.364 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.604 -11.487 2.138 1.00 0.80 C ATOM 1212 C LYS A 83 -15.826 -12.797 2.203 1.00 0.81 C ATOM 1213 O LYS A 83 -16.114 -13.664 3.029 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.987 -11.728 1.538 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.889 -10.504 1.566 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.288 -10.821 1.058 1.00 1.34 C ATOM 1217 CE LYS A 83 -20.273 -11.304 -0.385 1.00 2.08 C ATOM 1218 NZ LYS A 83 -19.657 -10.311 -1.304 1.00 2.62 N ATOM 0 H LYS A 83 -16.273 -10.293 0.446 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.725 -11.104 3.151 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.872 -12.060 0.506 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.473 -12.538 2.082 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.950 -10.121 2.585 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.450 -9.715 0.955 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.740 -11.584 1.691 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.913 -9.931 1.136 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -19.723 -12.243 -0.446 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -21.293 -11.511 -0.708 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -19.834 -10.594 -2.289 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -20.074 -9.374 -1.133 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -18.632 -10.270 -1.134 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.837 -12.931 1.332 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.012 -14.126 1.293 1.00 0.81 C ATOM 1234 C LEU A 84 -12.879 -14.050 2.314 1.00 0.76 C ATOM 1235 O LEU A 84 -12.752 -14.920 3.172 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.436 -14.317 -0.109 1.00 0.90 C ATOM 1237 CG LEU A 84 -14.468 -14.547 -1.217 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -13.795 -14.541 -2.578 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -15.208 -15.859 -1.002 1.00 1.25 C ATOM 0 H LEU A 84 -14.587 -12.224 0.641 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.641 -14.979 1.547 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.845 -13.437 -0.363 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.753 -15.166 -0.090 1.00 0.90 H new ATOM 0 HG LEU A 84 -15.193 -13.734 -1.181 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -14.542 -14.706 -3.354 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.310 -13.578 -2.740 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -13.049 -15.335 -2.618 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -15.936 -16.001 -1.801 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -14.496 -16.684 -1.009 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -15.723 -15.833 -0.042 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.071 -12.998 2.233 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.879 -12.893 3.079 1.00 0.75 C ATOM 1253 C ASP A 85 -11.093 -11.969 4.273 1.00 0.66 C ATOM 1254 O ASP A 85 -10.313 -11.982 5.222 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.669 -12.404 2.274 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.181 -13.422 1.264 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -9.508 -13.283 0.071 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.473 -14.370 1.660 1.00 1.42 O ATOM 0 H ASP A 85 -12.214 -12.212 1.599 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.685 -13.898 3.455 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.933 -11.483 1.755 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.857 -12.162 2.960 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.148 -11.168 4.222 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.391 -10.188 5.269 1.00 0.56 C ATOM 1265 C GLY A 86 -11.462 -8.999 5.156 1.00 0.48 C ATOM 1266 O GLY A 86 -11.377 -8.168 6.058 1.00 0.50 O ATOM 0 H GLY A 86 -12.842 -11.177 3.475 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.425 -9.847 5.214 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.262 -10.658 6.244 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.756 -8.933 4.040 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.796 -7.871 3.789 1.00 0.39 C ATOM 1272 C ARG A 87 -10.446 -6.738 3.015 1.00 0.33 C ATOM 1273 O ARG A 87 -11.405 -6.956 2.274 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.618 -8.430 2.995 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.867 -9.524 3.729 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.765 -10.114 2.869 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.078 -11.207 3.552 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.187 -12.011 2.976 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.876 -11.863 1.697 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.608 -12.967 3.687 1.00 2.10 N ATOM 0 H ARG A 87 -10.832 -9.613 3.283 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.443 -7.481 4.744 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.982 -8.822 2.045 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.928 -7.619 2.761 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.438 -9.120 4.646 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.562 -10.311 4.022 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.188 -10.478 1.933 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.046 -9.336 2.612 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.295 -11.365 4.536 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.320 -11.129 1.146 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.192 -12.483 1.263 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.845 -13.085 4.672 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.925 -13.585 3.250 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.928 -5.534 3.192 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.411 -4.384 2.444 1.00 0.26 C ATOM 1296 C LEU A 88 -9.919 -4.441 1.006 1.00 0.24 C ATOM 1297 O LEU A 88 -8.716 -4.499 0.750 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.959 -3.077 3.095 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.769 -2.634 4.312 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -10.050 -1.516 5.044 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -12.155 -2.167 3.892 1.00 0.44 C ATOM 0 H LEU A 88 -9.174 -5.327 3.846 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.501 -4.415 2.450 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.916 -3.182 3.393 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.999 -2.286 2.346 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.875 -3.488 4.981 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -10.638 -1.210 5.909 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -9.073 -1.868 5.376 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.921 -0.666 4.374 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.716 -1.856 4.773 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -12.063 -1.326 3.204 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.680 -2.984 3.397 1.00 0.44 H new ATOM 1313 N SER A 89 -10.856 -4.429 0.076 1.00 0.22 N ATOM 1314 CA SER A 89 -10.542 -4.527 -1.337 1.00 0.23 C ATOM 1315 C SER A 89 -11.185 -3.369 -2.097 1.00 0.21 C ATOM 1316 O SER A 89 -12.330 -3.000 -1.831 1.00 0.22 O ATOM 1317 CB SER A 89 -11.028 -5.873 -1.888 1.00 0.28 C ATOM 1318 OG SER A 89 -10.576 -6.084 -3.215 1.00 0.55 O ATOM 0 H SER A 89 -11.853 -4.351 0.278 1.00 0.22 H new ATOM 0 HA SER A 89 -9.462 -4.468 -1.469 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.671 -6.680 -1.248 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.117 -5.905 -1.864 1.00 0.28 H new ATOM 0 HG SER A 89 -9.919 -6.811 -3.225 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.424 -2.766 -2.999 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.909 -1.637 -3.782 1.00 0.24 C ATOM 1326 C CYS A 90 -11.711 -2.124 -4.988 1.00 0.27 C ATOM 1327 O CYS A 90 -11.663 -3.303 -5.346 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.733 -0.769 -4.251 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.688 -1.554 -5.499 1.00 0.28 S ATOM 0 H CYS A 90 -9.464 -3.041 -3.208 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.562 -1.037 -3.148 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.123 0.165 -4.655 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.119 -0.511 -3.388 1.00 0.25 H new ATOM 1334 N THR A 91 -12.427 -1.199 -5.622 1.00 0.30 N ATOM 1335 CA THR A 91 -13.271 -1.508 -6.772 1.00 0.36 C ATOM 1336 C THR A 91 -12.451 -1.868 -8.006 1.00 0.43 C ATOM 1337 O THR A 91 -12.998 -2.286 -9.024 1.00 0.54 O ATOM 1338 CB THR A 91 -14.165 -0.308 -7.121 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.365 0.881 -7.232 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.250 -0.109 -6.075 1.00 0.38 C ATOM 0 H THR A 91 -12.438 -0.215 -5.353 1.00 0.30 H new ATOM 0 HA THR A 91 -13.878 -2.368 -6.489 1.00 0.36 H new ATOM 0 HB THR A 91 -14.649 -0.510 -8.076 1.00 0.39 H new ATOM 0 HG1 THR A 91 -12.796 0.819 -8.027 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.867 0.747 -6.349 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.872 -1.002 -6.022 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.790 0.071 -5.103 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.141 -1.711 -7.909 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.262 -1.898 -9.049 1.00 0.52 C ATOM 1350 C GLU A 92 -9.825 -3.354 -9.160 1.00 0.51 C ATOM 1351 O GLU A 92 -8.875 -3.681 -9.874 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.040 -0.990 -8.918 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.388 0.469 -8.650 1.00 0.66 C ATOM 1354 CD GLU A 92 -10.283 1.065 -9.716 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -11.520 1.041 -9.534 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -9.757 1.551 -10.742 1.00 1.54 O ATOM 0 H GLU A 92 -10.662 -1.453 -7.046 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.808 -1.634 -9.955 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.409 -1.359 -8.109 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.452 -1.052 -9.834 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.882 0.548 -7.682 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -8.469 1.051 -8.587 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.516 -4.225 -8.440 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.210 -5.647 -8.463 1.00 0.53 C ATOM 1365 C HIS A 93 -11.428 -6.443 -8.918 1.00 0.67 C ATOM 1366 O HIS A 93 -11.831 -7.414 -8.273 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.771 -6.132 -7.076 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.557 -5.445 -6.527 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.605 -4.810 -7.289 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.151 -5.318 -5.244 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.670 -4.324 -6.458 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.955 -4.604 -5.202 1.00 0.32 N ATOM 0 H HIS A 93 -11.294 -3.971 -7.831 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.392 -5.804 -9.166 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.597 -5.992 -6.379 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.574 -7.203 -7.126 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.609 -4.724 -8.305 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.673 -5.710 -4.384 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.797 -3.774 -6.777 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.011 -6.027 -10.028 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.180 -6.705 -10.569 1.00 1.02 C ATOM 1382 C ASP A 94 -12.754 -7.733 -11.602 1.00 1.33 C ATOM 1383 O ASP A 94 -12.679 -8.927 -11.253 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.154 -5.706 -11.190 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.402 -6.373 -11.736 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -16.234 -6.846 -10.932 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -15.559 -6.434 -12.974 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.448 -7.342 -12.747 1.00 1.91 O ATOM 0 H ASP A 94 -11.696 -5.224 -10.573 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.690 -7.212 -9.750 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -14.439 -4.968 -10.440 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -13.653 -5.167 -11.994 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.222 -4.662 -7.030 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.334 2.865 4.783 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.922 11.255 -0.743 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -7.014 -2.742 -4.475 1.00 0.27 ZN