USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 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 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.00253 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.971 K(o=-0.97,f=-2.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.242 USER MOD Single : A 51 ASN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 133:sc= 1.2 (180deg=-0.81) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -35:sc= 0.652 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.188 36.307 -10.135 1.00 33.29 N ATOM 2 CA MET A 1 12.062 35.590 -8.855 1.00 32.97 C ATOM 3 C MET A 1 10.582 35.547 -8.509 1.00 31.39 C ATOM 4 O MET A 1 9.980 36.611 -8.419 1.00 31.18 O ATOM 5 CB MET A 1 12.869 36.321 -7.773 1.00 33.81 C ATOM 6 CG MET A 1 13.237 35.426 -6.586 1.00 34.59 C ATOM 7 SD MET A 1 15.029 35.353 -6.310 1.00 36.35 S ATOM 8 CE MET A 1 15.082 34.841 -4.575 1.00 37.04 C ATOM 0 H1 MET A 1 13.162 36.655 -10.244 1.00 33.29 H new ATOM 0 H2 MET A 1 11.962 35.661 -10.918 1.00 33.29 H new ATOM 0 H3 MET A 1 11.529 37.112 -10.148 1.00 33.29 H new ATOM 0 HA MET A 1 12.455 34.576 -8.924 1.00 32.97 H new ATOM 0 HB2 MET A 1 13.782 36.719 -8.216 1.00 33.81 H new ATOM 0 HB3 MET A 1 12.292 37.173 -7.412 1.00 33.81 H new ATOM 0 HG2 MET A 1 12.748 35.800 -5.686 1.00 34.59 H new ATOM 0 HG3 MET A 1 12.857 34.419 -6.761 1.00 34.59 H new ATOM 0 HE1 MET A 1 16.120 34.751 -4.254 1.00 37.04 H new ATOM 0 HE2 MET A 1 14.575 35.585 -3.960 1.00 37.04 H new ATOM 0 HE3 MET A 1 14.583 33.878 -4.464 1.00 37.04 H new ATOM 20 N LYS A 2 9.972 34.364 -8.403 1.00 30.35 N ATOM 21 CA LYS A 2 8.567 34.231 -8.028 1.00 28.84 C ATOM 22 C LYS A 2 8.318 32.800 -7.569 1.00 28.07 C ATOM 23 O LYS A 2 9.234 31.982 -7.606 1.00 28.71 O ATOM 24 CB LYS A 2 7.635 34.606 -9.195 1.00 28.18 C ATOM 25 CG LYS A 2 7.728 33.656 -10.401 1.00 28.18 C ATOM 26 CD LYS A 2 6.793 34.121 -11.524 1.00 27.75 C ATOM 27 CE LYS A 2 5.323 33.888 -11.151 1.00 26.63 C ATOM 28 NZ LYS A 2 4.405 34.665 -12.011 1.00 26.32 N ATOM 0 H LYS A 2 10.440 33.474 -8.575 1.00 30.35 H new ATOM 0 HA LYS A 2 8.346 34.921 -7.214 1.00 28.84 H new ATOM 0 HB2 LYS A 2 6.606 34.619 -8.835 1.00 28.18 H new ATOM 0 HB3 LYS A 2 7.871 35.618 -9.524 1.00 28.18 H new ATOM 0 HG2 LYS A 2 8.755 33.621 -10.766 1.00 28.18 H new ATOM 0 HG3 LYS A 2 7.464 32.644 -10.095 1.00 28.18 H new ATOM 0 HD2 LYS A 2 6.957 35.180 -11.723 1.00 27.75 H new ATOM 0 HD3 LYS A 2 7.028 33.584 -12.443 1.00 27.75 H new ATOM 0 HE2 LYS A 2 5.090 32.827 -11.238 1.00 26.63 H new ATOM 0 HE3 LYS A 2 5.165 34.165 -10.109 1.00 26.63 H new ATOM 0 HZ1 LYS A 2 3.422 34.479 -11.726 1.00 26.32 H new ATOM 0 HZ2 LYS A 2 4.609 35.680 -11.909 1.00 26.32 H new ATOM 0 HZ3 LYS A 2 4.537 34.383 -13.003 1.00 26.32 H new ATOM 42 N GLN A 3 7.085 32.505 -7.179 1.00 26.81 N ATOM 43 CA GLN A 3 6.625 31.192 -6.784 1.00 25.93 C ATOM 44 C GLN A 3 5.162 31.064 -7.198 1.00 24.45 C ATOM 45 O GLN A 3 4.511 32.068 -7.489 1.00 24.24 O ATOM 46 CB GLN A 3 6.796 31.002 -5.266 1.00 26.24 C ATOM 47 CG GLN A 3 6.012 32.005 -4.397 1.00 25.84 C ATOM 48 CD GLN A 3 6.615 33.411 -4.404 1.00 26.38 C ATOM 49 OE1 GLN A 3 6.261 34.258 -5.217 1.00 26.13 O ATOM 50 NE2 GLN A 3 7.556 33.685 -3.511 1.00 27.32 N ATOM 0 H GLN A 3 6.350 33.210 -7.129 1.00 26.81 H new ATOM 0 HA GLN A 3 7.212 30.415 -7.274 1.00 25.93 H new ATOM 0 HB2 GLN A 3 6.482 29.992 -5.003 1.00 26.24 H new ATOM 0 HB3 GLN A 3 7.855 31.081 -5.021 1.00 26.24 H new ATOM 0 HG2 GLN A 3 4.983 32.057 -4.753 1.00 25.84 H new ATOM 0 HG3 GLN A 3 5.977 31.637 -3.372 1.00 25.84 H new ATOM 0 HE21 GLN A 3 7.844 32.974 -2.839 1.00 27.32 H new ATOM 0 HE22 GLN A 3 7.992 34.607 -3.496 1.00 27.32 H new ATOM 59 N ASP A 4 4.654 29.836 -7.194 1.00 23.56 N ATOM 60 CA ASP A 4 3.258 29.498 -7.421 1.00 22.14 C ATOM 61 C ASP A 4 3.051 28.076 -6.894 1.00 21.63 C ATOM 62 O ASP A 4 3.976 27.487 -6.332 1.00 22.53 O ATOM 63 CB ASP A 4 2.892 29.617 -8.909 1.00 21.71 C ATOM 64 CG ASP A 4 3.714 28.685 -9.795 1.00 22.24 C ATOM 65 OD1 ASP A 4 3.310 27.508 -9.912 1.00 22.01 O ATOM 66 OD2 ASP A 4 4.725 29.174 -10.350 1.00 23.08 O ATOM 0 H ASP A 4 5.233 29.013 -7.024 1.00 23.56 H new ATOM 0 HA ASP A 4 2.601 30.192 -6.897 1.00 22.14 H new ATOM 0 HB2 ASP A 4 1.833 29.393 -9.037 1.00 21.71 H new ATOM 0 HB3 ASP A 4 3.042 30.646 -9.234 1.00 21.71 H new ATOM 71 N GLY A 5 1.843 27.536 -7.025 1.00 20.33 N ATOM 72 CA GLY A 5 1.534 26.185 -6.600 1.00 19.80 C ATOM 73 C GLY A 5 0.086 25.887 -6.956 1.00 18.24 C ATOM 74 O GLY A 5 -0.721 26.807 -7.067 1.00 17.74 O ATOM 0 H GLY A 5 1.050 28.031 -7.432 1.00 20.33 H new ATOM 0 HA2 GLY A 5 2.199 25.473 -7.089 1.00 19.80 H new ATOM 0 HA3 GLY A 5 1.689 26.081 -5.526 1.00 19.80 H new ATOM 78 N GLU A 6 -0.243 24.611 -7.142 1.00 17.62 N ATOM 79 CA GLU A 6 -1.584 24.161 -7.473 1.00 16.20 C ATOM 80 C GLU A 6 -1.700 22.733 -6.943 1.00 15.77 C ATOM 81 O GLU A 6 -0.702 22.014 -6.924 1.00 16.73 O ATOM 82 CB GLU A 6 -1.789 24.217 -9.000 1.00 16.11 C ATOM 83 CG GLU A 6 -2.946 25.142 -9.399 1.00 15.63 C ATOM 84 CD GLU A 6 -4.307 24.559 -9.016 1.00 14.62 C ATOM 85 OE1 GLU A 6 -5.142 24.389 -9.930 1.00 14.30 O ATOM 86 OE2 GLU A 6 -4.489 24.284 -7.808 1.00 14.51 O ATOM 0 H GLU A 6 0.431 23.850 -7.064 1.00 17.62 H new ATOM 0 HA GLU A 6 -2.351 24.793 -7.026 1.00 16.20 H new ATOM 0 HB2 GLU A 6 -0.871 24.562 -9.475 1.00 16.11 H new ATOM 0 HB3 GLU A 6 -1.984 23.212 -9.375 1.00 16.11 H new ATOM 0 HG2 GLU A 6 -2.818 26.111 -8.916 1.00 15.63 H new ATOM 0 HG3 GLU A 6 -2.916 25.316 -10.475 1.00 15.63 H new ATOM 93 N GLU A 7 -2.886 22.329 -6.494 1.00 14.50 N ATOM 94 CA GLU A 7 -3.159 20.988 -6.013 1.00 14.02 C ATOM 95 C GLU A 7 -4.667 20.796 -6.144 1.00 12.49 C ATOM 96 O GLU A 7 -5.437 21.539 -5.537 1.00 12.07 O ATOM 97 CB GLU A 7 -2.709 20.850 -4.549 1.00 14.77 C ATOM 98 CG GLU A 7 -2.862 19.418 -4.018 1.00 14.68 C ATOM 99 CD GLU A 7 -1.821 18.475 -4.621 1.00 16.03 C ATOM 100 OE1 GLU A 7 -0.887 18.097 -3.879 1.00 17.15 O ATOM 101 OE2 GLU A 7 -1.989 18.136 -5.815 1.00 16.18 O ATOM 0 H GLU A 7 -3.699 22.944 -6.456 1.00 14.50 H new ATOM 0 HA GLU A 7 -2.618 20.232 -6.583 1.00 14.02 H new ATOM 0 HB2 GLU A 7 -1.667 21.156 -4.463 1.00 14.77 H new ATOM 0 HB3 GLU A 7 -3.293 21.529 -3.927 1.00 14.77 H new ATOM 0 HG2 GLU A 7 -2.765 19.421 -2.932 1.00 14.68 H new ATOM 0 HG3 GLU A 7 -3.862 19.050 -4.247 1.00 14.68 H new ATOM 108 N GLY A 8 -5.106 19.833 -6.952 1.00 11.85 N ATOM 109 CA GLY A 8 -6.516 19.649 -7.253 1.00 10.53 C ATOM 110 C GLY A 8 -6.815 18.168 -7.422 1.00 9.92 C ATOM 111 O GLY A 8 -5.902 17.366 -7.605 1.00 10.66 O ATOM 0 H GLY A 8 -4.492 19.162 -7.414 1.00 11.85 H new ATOM 0 HA2 GLY A 8 -7.126 20.064 -6.451 1.00 10.53 H new ATOM 0 HA3 GLY A 8 -6.777 20.189 -8.163 1.00 10.53 H new ATOM 115 N THR A 9 -8.091 17.791 -7.355 1.00 8.84 N ATOM 116 CA THR A 9 -8.494 16.404 -7.488 1.00 8.29 C ATOM 117 C THR A 9 -9.913 16.350 -8.048 1.00 7.11 C ATOM 118 O THR A 9 -10.694 17.276 -7.826 1.00 6.94 O ATOM 119 CB THR A 9 -8.351 15.681 -6.146 1.00 8.77 C ATOM 120 OG1 THR A 9 -8.640 14.315 -6.333 1.00 8.99 O ATOM 121 CG2 THR A 9 -9.279 16.272 -5.090 1.00 8.75 C ATOM 0 H THR A 9 -8.865 18.439 -7.208 1.00 8.84 H new ATOM 0 HA THR A 9 -7.843 15.881 -8.189 1.00 8.29 H new ATOM 0 HB THR A 9 -7.329 15.805 -5.789 1.00 8.77 H new ATOM 0 HG1 THR A 9 -8.550 13.842 -5.480 1.00 8.99 H new ATOM 0 HG21 THR A 9 -9.150 15.734 -4.151 1.00 8.75 H new ATOM 0 HG22 THR A 9 -9.038 17.325 -4.942 1.00 8.75 H new ATOM 0 HG23 THR A 9 -10.313 16.180 -5.422 1.00 8.75 H new ATOM 129 N GLU A 10 -10.239 15.270 -8.755 1.00 6.76 N ATOM 130 CA GLU A 10 -11.565 14.957 -9.258 1.00 6.10 C ATOM 131 C GLU A 10 -11.665 13.435 -9.239 1.00 5.83 C ATOM 132 O GLU A 10 -10.746 12.772 -9.716 1.00 6.82 O ATOM 133 CB GLU A 10 -11.754 15.481 -10.692 1.00 6.83 C ATOM 134 CG GLU A 10 -12.170 16.956 -10.711 1.00 7.34 C ATOM 135 CD GLU A 10 -12.518 17.429 -12.125 1.00 8.41 C ATOM 136 OE1 GLU A 10 -11.651 18.081 -12.748 1.00 9.36 O ATOM 137 OE2 GLU A 10 -13.657 17.148 -12.559 1.00 8.65 O ATOM 0 H GLU A 10 -9.550 14.559 -9.002 1.00 6.76 H new ATOM 0 HA GLU A 10 -12.336 15.427 -8.648 1.00 6.10 H new ATOM 0 HB2 GLU A 10 -10.825 15.359 -11.249 1.00 6.83 H new ATOM 0 HB3 GLU A 10 -12.511 14.884 -11.200 1.00 6.83 H new ATOM 0 HG2 GLU A 10 -13.030 17.100 -10.057 1.00 7.34 H new ATOM 0 HG3 GLU A 10 -11.361 17.567 -10.312 1.00 7.34 H new ATOM 144 N GLU A 11 -12.766 12.901 -8.699 1.00 5.10 N ATOM 145 CA GLU A 11 -12.984 11.469 -8.500 1.00 5.05 C ATOM 146 C GLU A 11 -11.974 10.846 -7.534 1.00 4.14 C ATOM 147 O GLU A 11 -11.047 11.512 -7.086 1.00 4.02 O ATOM 148 CB GLU A 11 -13.158 10.748 -9.850 1.00 6.30 C ATOM 149 CG GLU A 11 -14.461 11.234 -10.510 1.00 7.07 C ATOM 150 CD GLU A 11 -14.678 10.668 -11.914 1.00 8.49 C ATOM 151 OE1 GLU A 11 -14.256 9.514 -12.148 1.00 9.09 O ATOM 152 OE2 GLU A 11 -15.300 11.387 -12.727 1.00 9.36 O ATOM 0 H GLU A 11 -13.550 13.471 -8.381 1.00 5.10 H new ATOM 0 HA GLU A 11 -13.932 11.327 -7.981 1.00 5.05 H new ATOM 0 HB2 GLU A 11 -12.307 10.953 -10.499 1.00 6.30 H new ATOM 0 HB3 GLU A 11 -13.191 9.669 -9.700 1.00 6.30 H new ATOM 0 HG2 GLU A 11 -15.305 10.955 -9.879 1.00 7.07 H new ATOM 0 HG3 GLU A 11 -14.449 12.323 -10.563 1.00 7.07 H new ATOM 159 N ASP A 12 -12.266 9.599 -7.145 1.00 4.14 N ATOM 160 CA ASP A 12 -11.653 8.773 -6.101 1.00 3.44 C ATOM 161 C ASP A 12 -11.200 9.508 -4.832 1.00 2.88 C ATOM 162 O ASP A 12 -10.320 10.366 -4.817 1.00 3.65 O ATOM 163 CB ASP A 12 -10.532 7.928 -6.690 1.00 4.50 C ATOM 164 CG ASP A 12 -10.053 6.860 -5.694 1.00 4.41 C ATOM 165 OD1 ASP A 12 -9.061 6.181 -6.021 1.00 5.31 O ATOM 166 OD2 ASP A 12 -10.688 6.712 -4.618 1.00 4.23 O ATOM 0 H ASP A 12 -13.020 9.090 -7.606 1.00 4.14 H new ATOM 0 HA ASP A 12 -12.459 8.132 -5.743 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -10.879 7.446 -7.604 1.00 4.50 H new ATOM 0 HB3 ASP A 12 -9.696 8.571 -6.966 1.00 4.50 H new ATOM 171 N THR A 13 -11.792 9.154 -3.696 1.00 2.17 N ATOM 172 CA THR A 13 -11.402 9.733 -2.418 1.00 2.51 C ATOM 173 C THR A 13 -11.342 8.639 -1.347 1.00 2.29 C ATOM 174 O THR A 13 -11.384 8.927 -0.152 1.00 3.21 O ATOM 175 CB THR A 13 -12.357 10.897 -2.109 1.00 3.25 C ATOM 176 OG1 THR A 13 -12.479 11.725 -3.253 1.00 4.37 O ATOM 177 CG2 THR A 13 -11.872 11.804 -0.974 1.00 4.17 C ATOM 0 H THR A 13 -12.544 8.468 -3.636 1.00 2.17 H new ATOM 0 HA THR A 13 -10.396 10.152 -2.445 1.00 2.51 H new ATOM 0 HB THR A 13 -13.299 10.434 -1.814 1.00 3.25 H new ATOM 0 HG1 THR A 13 -13.089 12.466 -3.057 1.00 4.37 H new ATOM 0 HG21 THR A 13 -12.596 12.603 -0.812 1.00 4.17 H new ATOM 0 HG22 THR A 13 -11.767 11.219 -0.060 1.00 4.17 H new ATOM 0 HG23 THR A 13 -10.908 12.237 -1.241 1.00 4.17 H new ATOM 185 N GLU A 14 -11.169 7.380 -1.762 1.00 1.59 N ATOM 186 CA GLU A 14 -11.149 6.232 -0.872 1.00 2.14 C ATOM 187 C GLU A 14 -9.891 5.397 -1.092 1.00 1.91 C ATOM 188 O GLU A 14 -9.208 5.073 -0.120 1.00 2.61 O ATOM 189 CB GLU A 14 -12.422 5.398 -1.061 1.00 2.53 C ATOM 190 CG GLU A 14 -13.558 5.974 -0.209 1.00 3.29 C ATOM 191 CD GLU A 14 -14.803 5.085 -0.242 1.00 3.80 C ATOM 192 OE1 GLU A 14 -14.860 4.150 0.586 1.00 4.87 O ATOM 193 OE2 GLU A 14 -15.689 5.367 -1.080 1.00 3.99 O ATOM 0 H GLU A 14 -11.037 7.134 -2.743 1.00 1.59 H new ATOM 0 HA GLU A 14 -11.126 6.584 0.159 1.00 2.14 H new ATOM 0 HB2 GLU A 14 -12.711 5.394 -2.112 1.00 2.53 H new ATOM 0 HB3 GLU A 14 -12.233 4.362 -0.778 1.00 2.53 H new ATOM 0 HG2 GLU A 14 -13.219 6.086 0.821 1.00 3.29 H new ATOM 0 HG3 GLU A 14 -13.814 6.970 -0.570 1.00 3.29 H new ATOM 200 N GLU A 15 -9.558 5.023 -2.329 1.00 1.12 N ATOM 201 CA GLU A 15 -8.411 4.147 -2.519 1.00 1.04 C ATOM 202 C GLU A 15 -7.131 4.983 -2.503 1.00 0.93 C ATOM 203 O GLU A 15 -6.675 5.475 -3.529 1.00 0.93 O ATOM 204 CB GLU A 15 -8.564 3.294 -3.787 1.00 1.06 C ATOM 205 CG GLU A 15 -9.807 2.398 -3.680 1.00 2.49 C ATOM 206 CD GLU A 15 -9.634 1.090 -4.458 1.00 3.14 C ATOM 207 OE1 GLU A 15 -9.745 1.124 -5.702 1.00 2.70 O ATOM 208 OE2 GLU A 15 -9.379 0.062 -3.790 1.00 4.66 O ATOM 0 H GLU A 15 -10.046 5.302 -3.180 1.00 1.12 H new ATOM 0 HA GLU A 15 -8.351 3.434 -1.696 1.00 1.04 H new ATOM 0 HB2 GLU A 15 -8.648 3.941 -4.661 1.00 1.06 H new ATOM 0 HB3 GLU A 15 -7.675 2.679 -3.929 1.00 1.06 H new ATOM 0 HG2 GLU A 15 -10.004 2.174 -2.632 1.00 2.49 H new ATOM 0 HG3 GLU A 15 -10.676 2.935 -4.060 1.00 2.49 H new ATOM 215 N LYS A 16 -6.526 5.152 -1.323 1.00 0.94 N ATOM 216 CA LYS A 16 -5.294 5.922 -1.161 1.00 0.90 C ATOM 217 C LYS A 16 -4.210 5.084 -0.494 1.00 0.93 C ATOM 218 O LYS A 16 -4.437 4.412 0.510 1.00 1.06 O ATOM 219 CB LYS A 16 -5.528 7.250 -0.415 1.00 0.97 C ATOM 220 CG LYS A 16 -6.542 7.094 0.715 1.00 1.71 C ATOM 221 CD LYS A 16 -6.651 8.329 1.613 1.00 1.64 C ATOM 222 CE LYS A 16 -7.201 9.506 0.802 1.00 1.87 C ATOM 223 NZ LYS A 16 -7.741 10.575 1.667 1.00 2.40 N ATOM 0 H LYS A 16 -6.880 4.756 -0.452 1.00 0.94 H new ATOM 0 HA LYS A 16 -4.945 6.187 -2.159 1.00 0.90 H new ATOM 0 HB2 LYS A 16 -4.583 7.610 -0.008 1.00 0.97 H new ATOM 0 HB3 LYS A 16 -5.880 8.005 -1.118 1.00 0.97 H new ATOM 0 HG2 LYS A 16 -7.521 6.879 0.287 1.00 1.71 H new ATOM 0 HG3 LYS A 16 -6.265 6.234 1.325 1.00 1.71 H new ATOM 0 HD2 LYS A 16 -7.306 8.120 2.459 1.00 1.64 H new ATOM 0 HD3 LYS A 16 -5.673 8.581 2.022 1.00 1.64 H new ATOM 0 HE2 LYS A 16 -6.409 9.914 0.174 1.00 1.87 H new ATOM 0 HE3 LYS A 16 -7.986 9.150 0.134 1.00 1.87 H new ATOM 0 HZ1 LYS A 16 -8.102 11.351 1.076 1.00 2.40 H new ATOM 0 HZ2 LYS A 16 -8.515 10.194 2.248 1.00 2.40 H new ATOM 0 HZ3 LYS A 16 -6.987 10.934 2.287 1.00 2.40 H new ATOM 237 N CYS A 17 -3.016 5.164 -1.073 1.00 0.86 N ATOM 238 CA CYS A 17 -1.785 4.554 -0.618 1.00 0.85 C ATOM 239 C CYS A 17 -1.420 5.180 0.729 1.00 0.87 C ATOM 240 O CYS A 17 -1.115 6.371 0.784 1.00 0.96 O ATOM 241 CB CYS A 17 -0.740 4.937 -1.674 1.00 0.82 C ATOM 242 SG CYS A 17 0.864 4.134 -1.448 1.00 0.89 S ATOM 0 H CYS A 17 -2.881 5.696 -1.933 1.00 0.86 H new ATOM 0 HA CYS A 17 -1.854 3.473 -0.496 1.00 0.85 H new ATOM 0 HB2 CYS A 17 -1.126 4.683 -2.661 1.00 0.82 H new ATOM 0 HB3 CYS A 17 -0.599 6.018 -1.656 1.00 0.82 H new ATOM 247 N THR A 18 -1.403 4.397 1.809 1.00 0.84 N ATOM 248 CA THR A 18 -1.060 4.926 3.127 1.00 0.90 C ATOM 249 C THR A 18 0.395 5.413 3.178 1.00 0.79 C ATOM 250 O THR A 18 0.738 6.234 4.020 1.00 0.78 O ATOM 251 CB THR A 18 -1.408 3.899 4.218 1.00 0.97 C ATOM 252 OG1 THR A 18 -1.744 4.522 5.439 1.00 1.08 O ATOM 253 CG2 THR A 18 -0.268 2.924 4.494 1.00 0.95 C ATOM 0 H THR A 18 -1.621 3.401 1.796 1.00 0.84 H new ATOM 0 HA THR A 18 -1.665 5.811 3.325 1.00 0.90 H new ATOM 0 HB THR A 18 -2.265 3.352 3.826 1.00 0.97 H new ATOM 0 HG1 THR A 18 -1.960 3.838 6.107 1.00 1.08 H new ATOM 0 HG21 THR A 18 -0.569 2.223 5.272 1.00 0.95 H new ATOM 0 HG22 THR A 18 -0.030 2.375 3.583 1.00 0.95 H new ATOM 0 HG23 THR A 18 0.611 3.477 4.825 1.00 0.95 H new ATOM 261 N ILE A 19 1.262 4.923 2.286 1.00 0.70 N ATOM 262 CA ILE A 19 2.672 5.259 2.283 1.00 0.61 C ATOM 263 C ILE A 19 2.888 6.618 1.612 1.00 0.60 C ATOM 264 O ILE A 19 3.498 7.500 2.206 1.00 0.62 O ATOM 265 CB ILE A 19 3.416 4.113 1.592 1.00 0.58 C ATOM 266 CG1 ILE A 19 3.401 2.867 2.494 1.00 0.63 C ATOM 267 CG2 ILE A 19 4.859 4.487 1.266 1.00 0.53 C ATOM 268 CD1 ILE A 19 3.316 1.609 1.637 1.00 0.62 C ATOM 0 H ILE A 19 0.993 4.277 1.543 1.00 0.70 H new ATOM 0 HA ILE A 19 3.066 5.364 3.294 1.00 0.61 H new ATOM 0 HB ILE A 19 2.903 3.904 0.653 1.00 0.58 H new ATOM 0 HG12 ILE A 19 4.302 2.840 3.107 1.00 0.63 H new ATOM 0 HG13 ILE A 19 2.552 2.911 3.176 1.00 0.63 H new ATOM 0 HG21 ILE A 19 5.351 3.646 0.777 1.00 0.53 H new ATOM 0 HG22 ILE A 19 4.870 5.351 0.601 1.00 0.53 H new ATOM 0 HG23 ILE A 19 5.388 4.731 2.187 1.00 0.53 H new ATOM 0 HD11 ILE A 19 3.306 0.730 2.281 1.00 0.62 H new ATOM 0 HD12 ILE A 19 2.402 1.634 1.043 1.00 0.62 H new ATOM 0 HD13 ILE A 19 4.179 1.562 0.973 1.00 0.62 H new ATOM 280 N CYS A 20 2.398 6.801 0.378 1.00 0.60 N ATOM 281 CA CYS A 20 2.534 8.093 -0.301 1.00 0.63 C ATOM 282 C CYS A 20 1.553 9.112 0.290 1.00 0.73 C ATOM 283 O CYS A 20 1.663 10.298 -0.002 1.00 0.86 O ATOM 284 CB CYS A 20 2.204 7.978 -1.797 1.00 0.84 C ATOM 285 SG CYS A 20 3.221 6.744 -2.646 1.00 1.26 S ATOM 0 H CYS A 20 1.913 6.084 -0.161 1.00 0.60 H new ATOM 0 HA CYS A 20 3.568 8.411 -0.165 1.00 0.63 H new ATOM 0 HB2 CYS A 20 1.152 7.718 -1.914 1.00 0.84 H new ATOM 0 HB3 CYS A 20 2.347 8.949 -2.272 1.00 0.84 H new ATOM 290 N LEU A 21 0.558 8.643 1.049 1.00 0.75 N ATOM 291 CA LEU A 21 -0.600 9.400 1.499 1.00 0.86 C ATOM 292 C LEU A 21 -1.268 10.148 0.345 1.00 0.90 C ATOM 293 O LEU A 21 -1.681 11.297 0.489 1.00 1.05 O ATOM 294 CB LEU A 21 -0.212 10.292 2.684 1.00 0.95 C ATOM 295 CG LEU A 21 0.250 9.446 3.881 1.00 0.98 C ATOM 296 CD1 LEU A 21 0.949 10.340 4.898 1.00 1.12 C ATOM 297 CD2 LEU A 21 -0.934 8.747 4.557 1.00 1.04 C ATOM 0 H LEU A 21 0.543 7.678 1.379 1.00 0.75 H new ATOM 0 HA LEU A 21 -1.364 8.713 1.862 1.00 0.86 H new ATOM 0 HB2 LEU A 21 0.585 10.973 2.386 1.00 0.95 H new ATOM 0 HB3 LEU A 21 -1.064 10.907 2.975 1.00 0.95 H new ATOM 0 HG LEU A 21 0.937 8.685 3.512 1.00 0.98 H new ATOM 0 HD11 LEU A 21 1.276 9.739 5.746 1.00 1.12 H new ATOM 0 HD12 LEU A 21 1.814 10.813 4.433 1.00 1.12 H new ATOM 0 HD13 LEU A 21 0.257 11.109 5.243 1.00 1.12 H new ATOM 0 HD21 LEU A 21 -0.575 8.156 5.400 1.00 1.04 H new ATOM 0 HD22 LEU A 21 -1.643 9.495 4.913 1.00 1.04 H new ATOM 0 HD23 LEU A 21 -1.428 8.092 3.839 1.00 1.04 H new ATOM 309 N SER A 22 -1.463 9.444 -0.772 1.00 0.88 N ATOM 310 CA SER A 22 -2.101 9.970 -1.969 1.00 0.96 C ATOM 311 C SER A 22 -3.077 8.936 -2.509 1.00 0.97 C ATOM 312 O SER A 22 -2.868 7.735 -2.333 1.00 0.91 O ATOM 313 CB SER A 22 -1.047 10.297 -3.030 1.00 0.94 C ATOM 314 OG SER A 22 -0.283 11.405 -2.609 1.00 1.88 O ATOM 0 H SER A 22 -1.173 8.471 -0.866 1.00 0.88 H new ATOM 0 HA SER A 22 -2.638 10.885 -1.720 1.00 0.96 H new ATOM 0 HB2 SER A 22 -0.399 9.436 -3.192 1.00 0.94 H new ATOM 0 HB3 SER A 22 -1.530 10.516 -3.982 1.00 0.94 H new ATOM 0 HG SER A 22 0.393 11.613 -3.287 1.00 1.88 H new ATOM 320 N ILE A 23 -4.142 9.406 -3.158 1.00 1.04 N ATOM 321 CA ILE A 23 -5.093 8.579 -3.879 1.00 1.00 C ATOM 322 C ILE A 23 -4.377 7.862 -5.030 1.00 0.92 C ATOM 323 O ILE A 23 -3.291 8.262 -5.453 1.00 0.96 O ATOM 324 CB ILE A 23 -6.234 9.503 -4.355 1.00 1.11 C ATOM 325 CG1 ILE A 23 -7.164 9.850 -3.181 1.00 1.27 C ATOM 326 CG2 ILE A 23 -7.040 8.976 -5.542 1.00 1.00 C ATOM 327 CD1 ILE A 23 -8.088 8.698 -2.775 1.00 2.01 C ATOM 0 H ILE A 23 -4.368 10.400 -3.194 1.00 1.04 H new ATOM 0 HA ILE A 23 -5.520 7.797 -3.251 1.00 1.00 H new ATOM 0 HB ILE A 23 -5.742 10.402 -4.725 1.00 1.11 H new ATOM 0 HG12 ILE A 23 -6.559 10.141 -2.322 1.00 1.27 H new ATOM 0 HG13 ILE A 23 -7.771 10.714 -3.451 1.00 1.27 H new ATOM 0 HG21 ILE A 23 -7.817 9.695 -5.802 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -6.378 8.832 -6.396 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -7.500 8.024 -5.276 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -8.716 9.012 -1.941 1.00 2.01 H new ATOM 0 HD12 ILE A 23 -8.718 8.422 -3.620 1.00 2.01 H new ATOM 0 HD13 ILE A 23 -7.488 7.839 -2.474 1.00 2.01 H new ATOM 339 N LEU A 24 -5.000 6.782 -5.495 1.00 0.84 N ATOM 340 CA LEU A 24 -4.597 5.911 -6.580 1.00 0.81 C ATOM 341 C LEU A 24 -5.454 6.219 -7.816 1.00 0.88 C ATOM 342 O LEU A 24 -6.043 7.289 -7.923 1.00 1.00 O ATOM 343 CB LEU A 24 -4.828 4.476 -6.077 1.00 0.77 C ATOM 344 CG LEU A 24 -4.021 4.183 -4.803 1.00 0.74 C ATOM 345 CD1 LEU A 24 -4.356 2.797 -4.270 1.00 0.70 C ATOM 346 CD2 LEU A 24 -2.534 4.299 -5.101 1.00 0.72 C ATOM 0 H LEU A 24 -5.879 6.472 -5.080 1.00 0.84 H new ATOM 0 HA LEU A 24 -3.554 6.050 -6.866 1.00 0.81 H new ATOM 0 HB2 LEU A 24 -5.889 4.327 -5.878 1.00 0.77 H new ATOM 0 HB3 LEU A 24 -4.547 3.768 -6.856 1.00 0.77 H new ATOM 0 HG LEU A 24 -4.284 4.913 -4.037 1.00 0.74 H new ATOM 0 HD11 LEU A 24 -3.776 2.604 -3.367 1.00 0.70 H new ATOM 0 HD12 LEU A 24 -5.419 2.744 -4.036 1.00 0.70 H new ATOM 0 HD13 LEU A 24 -4.113 2.049 -5.024 1.00 0.70 H new ATOM 0 HD21 LEU A 24 -1.964 4.091 -4.195 1.00 0.72 H new ATOM 0 HD22 LEU A 24 -2.261 3.581 -5.875 1.00 0.72 H new ATOM 0 HD23 LEU A 24 -2.310 5.308 -5.447 1.00 0.72 H new ATOM 358 N GLU A 25 -5.564 5.282 -8.751 1.00 0.85 N ATOM 359 CA GLU A 25 -6.588 5.313 -9.785 1.00 0.92 C ATOM 360 C GLU A 25 -7.007 3.887 -10.157 1.00 0.97 C ATOM 361 O GLU A 25 -6.392 2.907 -9.730 1.00 1.01 O ATOM 362 CB GLU A 25 -6.111 6.113 -11.008 1.00 0.92 C ATOM 363 CG GLU A 25 -4.950 5.436 -11.749 1.00 0.94 C ATOM 364 CD GLU A 25 -4.518 6.201 -13.005 1.00 1.02 C ATOM 365 OE1 GLU A 25 -4.044 5.531 -13.949 1.00 1.69 O ATOM 366 OE2 GLU A 25 -4.649 7.446 -13.013 1.00 1.70 O ATOM 0 H GLU A 25 -4.942 4.476 -8.812 1.00 0.85 H new ATOM 0 HA GLU A 25 -7.467 5.826 -9.395 1.00 0.92 H new ATOM 0 HB2 GLU A 25 -6.946 6.247 -11.696 1.00 0.92 H new ATOM 0 HB3 GLU A 25 -5.800 7.107 -10.687 1.00 0.92 H new ATOM 0 HG2 GLU A 25 -4.099 5.345 -11.074 1.00 0.94 H new ATOM 0 HG3 GLU A 25 -5.245 4.425 -12.029 1.00 0.94 H new ATOM 373 N GLU A 26 -8.069 3.756 -10.958 1.00 1.05 N ATOM 374 CA GLU A 26 -8.587 2.451 -11.338 1.00 1.15 C ATOM 375 C GLU A 26 -7.588 1.729 -12.243 1.00 1.16 C ATOM 376 O GLU A 26 -7.278 2.195 -13.335 1.00 1.23 O ATOM 377 CB GLU A 26 -9.956 2.603 -12.022 1.00 1.25 C ATOM 378 CG GLU A 26 -10.521 1.236 -12.435 1.00 1.34 C ATOM 379 CD GLU A 26 -11.964 1.325 -12.940 1.00 1.83 C ATOM 380 OE1 GLU A 26 -12.188 2.060 -13.926 1.00 2.71 O ATOM 381 OE2 GLU A 26 -12.822 0.632 -12.349 1.00 2.61 O ATOM 0 H GLU A 26 -8.583 4.543 -11.353 1.00 1.05 H new ATOM 0 HA GLU A 26 -8.725 1.846 -10.442 1.00 1.15 H new ATOM 0 HB2 GLU A 26 -10.652 3.098 -11.345 1.00 1.25 H new ATOM 0 HB3 GLU A 26 -9.858 3.240 -12.901 1.00 1.25 H new ATOM 0 HG2 GLU A 26 -9.892 0.808 -13.216 1.00 1.34 H new ATOM 0 HG3 GLU A 26 -10.479 0.557 -11.583 1.00 1.34 H new ATOM 388 N GLY A 27 -7.110 0.561 -11.803 1.00 1.34 N ATOM 389 CA GLY A 27 -6.250 -0.285 -12.617 1.00 1.52 C ATOM 390 C GLY A 27 -4.783 0.135 -12.555 1.00 1.36 C ATOM 391 O GLY A 27 -4.001 -0.263 -13.414 1.00 1.48 O ATOM 0 H GLY A 27 -7.310 0.182 -10.877 1.00 1.34 H new ATOM 0 HA2 GLY A 27 -6.342 -1.319 -12.283 1.00 1.52 H new ATOM 0 HA3 GLY A 27 -6.590 -0.253 -13.652 1.00 1.52 H new ATOM 395 N GLU A 28 -4.400 0.925 -11.551 1.00 1.21 N ATOM 396 CA GLU A 28 -3.041 1.415 -11.411 1.00 1.05 C ATOM 397 C GLU A 28 -2.088 0.297 -10.975 1.00 0.83 C ATOM 398 O GLU A 28 -2.490 -0.730 -10.426 1.00 0.84 O ATOM 399 CB GLU A 28 -3.061 2.550 -10.383 1.00 1.04 C ATOM 400 CG GLU A 28 -1.786 3.404 -10.368 1.00 1.07 C ATOM 401 CD GLU A 28 -1.856 4.530 -9.335 1.00 1.75 C ATOM 402 OE1 GLU A 28 -2.757 4.486 -8.471 1.00 2.94 O ATOM 403 OE2 GLU A 28 -0.946 5.389 -9.345 1.00 2.12 O ATOM 0 H GLU A 28 -5.030 1.240 -10.814 1.00 1.21 H new ATOM 0 HA GLU A 28 -2.675 1.779 -12.371 1.00 1.05 H new ATOM 0 HB2 GLU A 28 -3.915 3.195 -10.587 1.00 1.04 H new ATOM 0 HB3 GLU A 28 -3.212 2.125 -9.391 1.00 1.04 H new ATOM 0 HG2 GLU A 28 -0.928 2.768 -10.152 1.00 1.07 H new ATOM 0 HG3 GLU A 28 -1.625 3.831 -11.358 1.00 1.07 H new ATOM 410 N ASP A 29 -0.794 0.531 -11.176 1.00 0.75 N ATOM 411 CA ASP A 29 0.291 -0.336 -10.741 1.00 0.63 C ATOM 412 C ASP A 29 0.396 -0.308 -9.217 1.00 0.49 C ATOM 413 O ASP A 29 1.144 0.470 -8.619 1.00 0.62 O ATOM 414 CB ASP A 29 1.613 0.121 -11.349 1.00 0.91 C ATOM 415 CG ASP A 29 1.581 0.099 -12.872 1.00 1.75 C ATOM 416 OD1 ASP A 29 2.024 -0.927 -13.435 1.00 2.56 O ATOM 417 OD2 ASP A 29 1.103 1.107 -13.437 1.00 2.96 O ATOM 0 H ASP A 29 -0.462 1.362 -11.665 1.00 0.75 H new ATOM 0 HA ASP A 29 0.080 -1.352 -11.075 1.00 0.63 H new ATOM 0 HB2 ASP A 29 1.839 1.131 -11.006 1.00 0.91 H new ATOM 0 HB3 ASP A 29 2.417 -0.524 -10.994 1.00 0.91 H new ATOM 422 N VAL A 30 -0.348 -1.193 -8.570 1.00 0.49 N ATOM 423 CA VAL A 30 -0.409 -1.297 -7.125 1.00 0.53 C ATOM 424 C VAL A 30 -0.290 -2.764 -6.742 1.00 0.47 C ATOM 425 O VAL A 30 -0.145 -3.632 -7.605 1.00 0.60 O ATOM 426 CB VAL A 30 -1.675 -0.602 -6.585 1.00 0.80 C ATOM 427 CG1 VAL A 30 -1.800 0.819 -7.146 1.00 0.80 C ATOM 428 CG2 VAL A 30 -2.961 -1.364 -6.921 1.00 1.01 C ATOM 0 H VAL A 30 -0.938 -1.873 -9.049 1.00 0.49 H new ATOM 0 HA VAL A 30 0.423 -0.772 -6.656 1.00 0.53 H new ATOM 0 HB VAL A 30 -1.559 -0.578 -5.501 1.00 0.80 H new ATOM 0 HG11 VAL A 30 -2.701 1.288 -6.750 1.00 0.80 H new ATOM 0 HG12 VAL A 30 -0.928 1.404 -6.854 1.00 0.80 H new ATOM 0 HG13 VAL A 30 -1.861 0.777 -8.234 1.00 0.80 H new ATOM 0 HG21 VAL A 30 -3.819 -0.827 -6.515 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -3.063 -1.446 -8.003 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -2.918 -2.362 -6.484 1.00 1.01 H new ATOM 438 N ARG A 31 -0.337 -3.057 -5.447 1.00 0.46 N ATOM 439 CA ARG A 31 -0.404 -4.407 -4.935 1.00 0.48 C ATOM 440 C ARG A 31 -1.391 -4.406 -3.778 1.00 0.51 C ATOM 441 O ARG A 31 -1.645 -3.368 -3.166 1.00 0.60 O ATOM 442 CB ARG A 31 0.970 -4.886 -4.444 1.00 0.67 C ATOM 443 CG ARG A 31 2.055 -4.984 -5.524 1.00 0.87 C ATOM 444 CD ARG A 31 2.954 -6.184 -5.202 1.00 1.26 C ATOM 445 NE ARG A 31 4.177 -6.217 -6.017 1.00 2.22 N ATOM 446 CZ ARG A 31 4.919 -7.308 -6.256 1.00 2.78 C ATOM 447 NH1 ARG A 31 6.031 -7.211 -6.986 1.00 3.95 N ATOM 448 NH2 ARG A 31 4.553 -8.492 -5.762 1.00 2.73 N ATOM 0 H ARG A 31 -0.329 -2.345 -4.717 1.00 0.46 H new ATOM 0 HA ARG A 31 -0.722 -5.086 -5.726 1.00 0.48 H new ATOM 0 HB2 ARG A 31 1.316 -4.206 -3.665 1.00 0.67 H new ATOM 0 HB3 ARG A 31 0.851 -5.866 -3.982 1.00 0.67 H new ATOM 0 HG2 ARG A 31 1.601 -5.104 -6.508 1.00 0.87 H new ATOM 0 HG3 ARG A 31 2.643 -4.067 -5.554 1.00 0.87 H new ATOM 0 HD2 ARG A 31 3.227 -6.154 -4.147 1.00 1.26 H new ATOM 0 HD3 ARG A 31 2.393 -7.105 -5.360 1.00 1.26 H new ATOM 0 HE ARG A 31 4.486 -5.339 -6.434 1.00 2.22 H new ATOM 0 HH11 ARG A 31 6.317 -6.307 -7.362 1.00 3.95 H new ATOM 0 HH12 ARG A 31 6.596 -8.041 -7.168 1.00 3.95 H new ATOM 0 HH21 ARG A 31 3.705 -8.570 -5.200 1.00 2.73 H new ATOM 0 HH22 ARG A 31 5.121 -9.319 -5.947 1.00 2.73 H new ATOM 462 N ARG A 32 -1.916 -5.581 -3.448 1.00 0.80 N ATOM 463 CA ARG A 32 -2.879 -5.755 -2.380 1.00 0.90 C ATOM 464 C ARG A 32 -2.211 -6.664 -1.370 1.00 0.96 C ATOM 465 O ARG A 32 -2.027 -7.851 -1.618 1.00 1.61 O ATOM 466 CB ARG A 32 -4.164 -6.328 -2.985 1.00 1.25 C ATOM 467 CG ARG A 32 -5.389 -6.150 -2.092 1.00 1.85 C ATOM 468 CD ARG A 32 -5.262 -6.844 -0.734 1.00 0.72 C ATOM 469 NE ARG A 32 -6.590 -7.259 -0.265 1.00 1.23 N ATOM 470 CZ ARG A 32 -7.198 -8.409 -0.582 1.00 1.97 C ATOM 471 NH1 ARG A 32 -8.428 -8.663 -0.132 1.00 2.50 N ATOM 472 NH2 ARG A 32 -6.582 -9.301 -1.362 1.00 3.10 N ATOM 0 H ARG A 32 -1.677 -6.450 -3.926 1.00 0.80 H new ATOM 0 HA ARG A 32 -3.167 -4.832 -1.877 1.00 0.90 H new ATOM 0 HB2 ARG A 32 -4.351 -5.846 -3.945 1.00 1.25 H new ATOM 0 HB3 ARG A 32 -4.020 -7.390 -3.184 1.00 1.25 H new ATOM 0 HG2 ARG A 32 -5.560 -5.085 -1.932 1.00 1.85 H new ATOM 0 HG3 ARG A 32 -6.266 -6.540 -2.610 1.00 1.85 H new ATOM 0 HD2 ARG A 32 -4.608 -7.712 -0.818 1.00 0.72 H new ATOM 0 HD3 ARG A 32 -4.805 -6.169 -0.011 1.00 0.72 H new ATOM 0 HE ARG A 32 -7.090 -6.619 0.352 1.00 1.23 H new ATOM 0 HH11 ARG A 32 -8.907 -7.980 0.455 1.00 2.50 H new ATOM 0 HH12 ARG A 32 -8.889 -9.540 -0.375 1.00 2.50 H new ATOM 0 HH21 ARG A 32 -5.646 -9.107 -1.718 1.00 3.10 H new ATOM 0 HH22 ARG A 32 -7.048 -10.176 -1.602 1.00 3.10 H new ATOM 486 N LEU A 33 -1.782 -6.067 -0.267 1.00 0.77 N ATOM 487 CA LEU A 33 -1.072 -6.734 0.801 1.00 0.76 C ATOM 488 C LEU A 33 -2.053 -7.604 1.584 1.00 0.77 C ATOM 489 O LEU A 33 -3.265 -7.391 1.514 1.00 0.72 O ATOM 490 CB LEU A 33 -0.400 -5.656 1.653 1.00 0.70 C ATOM 491 CG LEU A 33 -1.403 -4.597 2.126 1.00 0.80 C ATOM 492 CD1 LEU A 33 -1.196 -4.379 3.623 1.00 1.27 C ATOM 493 CD2 LEU A 33 -1.164 -3.287 1.382 1.00 1.54 C ATOM 0 H LEU A 33 -1.926 -5.073 -0.091 1.00 0.77 H new ATOM 0 HA LEU A 33 -0.295 -7.402 0.430 1.00 0.76 H new ATOM 0 HB2 LEU A 33 0.074 -6.120 2.518 1.00 0.70 H new ATOM 0 HB3 LEU A 33 0.390 -5.176 1.075 1.00 0.70 H new ATOM 0 HG LEU A 33 -2.421 -4.932 1.928 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -1.900 -3.628 3.982 1.00 1.27 H new ATOM 0 HD12 LEU A 33 -1.363 -5.316 4.154 1.00 1.27 H new ATOM 0 HD13 LEU A 33 -0.177 -4.037 3.803 1.00 1.27 H new ATOM 0 HD21 LEU A 33 -1.880 -2.539 1.723 1.00 1.54 H new ATOM 0 HD22 LEU A 33 -0.151 -2.936 1.579 1.00 1.54 H new ATOM 0 HD23 LEU A 33 -1.290 -3.448 0.311 1.00 1.54 H new ATOM 505 N PRO A 34 -1.563 -8.605 2.326 1.00 0.90 N ATOM 506 CA PRO A 34 -2.407 -9.700 2.763 1.00 1.20 C ATOM 507 C PRO A 34 -3.452 -9.273 3.798 1.00 1.22 C ATOM 508 O PRO A 34 -4.445 -9.975 3.965 1.00 1.51 O ATOM 509 CB PRO A 34 -1.450 -10.779 3.276 1.00 1.46 C ATOM 510 CG PRO A 34 -0.182 -10.017 3.654 1.00 1.17 C ATOM 511 CD PRO A 34 -0.174 -8.818 2.709 1.00 0.93 C ATOM 0 HA PRO A 34 -3.014 -10.081 1.942 1.00 1.20 H new ATOM 0 HB2 PRO A 34 -1.868 -11.305 4.135 1.00 1.46 H new ATOM 0 HB3 PRO A 34 -1.249 -11.528 2.510 1.00 1.46 H new ATOM 0 HG2 PRO A 34 -0.202 -9.702 4.697 1.00 1.17 H new ATOM 0 HG3 PRO A 34 0.708 -10.633 3.524 1.00 1.17 H new ATOM 0 HD2 PRO A 34 0.236 -7.936 3.200 1.00 0.93 H new ATOM 0 HD3 PRO A 34 0.447 -9.013 1.835 1.00 0.93 H new ATOM 519 N CYS A 35 -3.262 -8.144 4.494 1.00 1.07 N ATOM 520 CA CYS A 35 -4.188 -7.753 5.549 1.00 1.40 C ATOM 521 C CYS A 35 -5.542 -7.304 4.987 1.00 1.79 C ATOM 522 O CYS A 35 -6.535 -7.430 5.696 1.00 3.23 O ATOM 523 CB CYS A 35 -3.574 -6.652 6.426 1.00 1.39 C ATOM 524 SG CYS A 35 -3.610 -5.017 5.636 1.00 2.05 S ATOM 0 H CYS A 35 -2.486 -7.499 4.344 1.00 1.07 H new ATOM 0 HA CYS A 35 -4.369 -8.633 6.166 1.00 1.40 H new ATOM 0 HB2 CYS A 35 -4.114 -6.605 7.372 1.00 1.39 H new ATOM 0 HB3 CYS A 35 -2.542 -6.914 6.660 1.00 1.39 H new ATOM 529 N MET A 36 -5.559 -6.745 3.762 1.00 0.79 N ATOM 530 CA MET A 36 -6.677 -6.164 3.014 1.00 0.81 C ATOM 531 C MET A 36 -6.294 -4.893 2.260 1.00 0.99 C ATOM 532 O MET A 36 -6.797 -4.695 1.157 1.00 2.04 O ATOM 533 CB MET A 36 -7.921 -5.884 3.860 1.00 0.82 C ATOM 534 CG MET A 36 -8.753 -7.160 3.963 1.00 1.89 C ATOM 535 SD MET A 36 -9.985 -7.318 2.640 1.00 2.84 S ATOM 536 CE MET A 36 -10.957 -8.694 3.300 1.00 4.22 C ATOM 0 H MET A 36 -4.697 -6.686 3.220 1.00 0.79 H new ATOM 0 HA MET A 36 -6.930 -6.944 2.296 1.00 0.81 H new ATOM 0 HB2 MET A 36 -7.631 -5.543 4.854 1.00 0.82 H new ATOM 0 HB3 MET A 36 -8.511 -5.086 3.409 1.00 0.82 H new ATOM 0 HG2 MET A 36 -8.088 -8.023 3.936 1.00 1.89 H new ATOM 0 HG3 MET A 36 -9.260 -7.178 4.927 1.00 1.89 H new ATOM 0 HE1 MET A 36 -11.767 -8.931 2.611 1.00 4.22 H new ATOM 0 HE2 MET A 36 -10.316 -9.567 3.420 1.00 4.22 H new ATOM 0 HE3 MET A 36 -11.374 -8.414 4.267 1.00 4.22 H new ATOM 546 N HIS A 37 -5.488 -4.012 2.863 1.00 0.83 N ATOM 547 CA HIS A 37 -5.195 -2.690 2.300 1.00 0.80 C ATOM 548 C HIS A 37 -4.486 -2.817 0.930 1.00 0.71 C ATOM 549 O HIS A 37 -4.052 -3.903 0.542 1.00 1.13 O ATOM 550 CB HIS A 37 -4.391 -1.849 3.327 1.00 0.99 C ATOM 551 CG HIS A 37 -5.100 -1.560 4.642 1.00 1.20 C ATOM 552 ND1 HIS A 37 -4.729 -1.913 5.964 1.00 1.21 N ATOM 553 CD2 HIS A 37 -6.249 -0.817 4.700 1.00 1.71 C ATOM 554 CE1 HIS A 37 -5.671 -1.370 6.749 1.00 1.73 C ATOM 555 NE2 HIS A 37 -6.594 -0.709 6.025 1.00 2.02 N ATOM 0 H HIS A 37 -5.022 -4.195 3.752 1.00 0.83 H new ATOM 0 HA HIS A 37 -6.127 -2.160 2.107 1.00 0.80 H new ATOM 0 HB2 HIS A 37 -3.459 -2.370 3.545 1.00 0.99 H new ATOM 0 HB3 HIS A 37 -4.125 -0.900 2.863 1.00 0.99 H new ATOM 0 HD2 HIS A 37 -6.783 -0.395 3.862 1.00 1.71 H new ATOM 0 HE1 HIS A 37 -5.687 -1.452 7.826 1.00 1.73 H new ATOM 0 HE2 HIS A 37 -7.406 -0.215 6.395 1.00 2.02 H new ATOM 563 N LEU A 38 -4.334 -1.719 0.177 1.00 0.56 N ATOM 564 CA LEU A 38 -3.586 -1.731 -1.079 1.00 0.76 C ATOM 565 C LEU A 38 -2.659 -0.526 -1.137 1.00 0.72 C ATOM 566 O LEU A 38 -3.041 0.566 -0.722 1.00 0.84 O ATOM 567 CB LEU A 38 -4.489 -1.805 -2.322 1.00 1.11 C ATOM 568 CG LEU A 38 -5.463 -0.632 -2.546 1.00 1.27 C ATOM 569 CD1 LEU A 38 -5.699 -0.463 -4.048 1.00 1.64 C ATOM 570 CD2 LEU A 38 -6.807 -0.891 -1.865 1.00 2.69 C ATOM 0 H LEU A 38 -4.723 -0.808 0.421 1.00 0.56 H new ATOM 0 HA LEU A 38 -2.992 -2.645 -1.095 1.00 0.76 H new ATOM 0 HB2 LEU A 38 -3.850 -1.888 -3.201 1.00 1.11 H new ATOM 0 HB3 LEU A 38 -5.072 -2.724 -2.264 1.00 1.11 H new ATOM 0 HG LEU A 38 -5.023 0.268 -2.117 1.00 1.27 H new ATOM 0 HD11 LEU A 38 -6.387 0.365 -4.217 1.00 1.64 H new ATOM 0 HD12 LEU A 38 -4.751 -0.254 -4.544 1.00 1.64 H new ATOM 0 HD13 LEU A 38 -6.127 -1.379 -4.454 1.00 1.64 H new ATOM 0 HD21 LEU A 38 -7.473 -0.046 -2.041 1.00 2.69 H new ATOM 0 HD22 LEU A 38 -7.254 -1.797 -2.275 1.00 2.69 H new ATOM 0 HD23 LEU A 38 -6.654 -1.015 -0.793 1.00 2.69 H new ATOM 582 N PHE A 39 -1.439 -0.741 -1.633 1.00 0.62 N ATOM 583 CA PHE A 39 -0.350 0.233 -1.684 1.00 0.64 C ATOM 584 C PHE A 39 0.262 0.186 -3.088 1.00 0.64 C ATOM 585 O PHE A 39 0.210 -0.861 -3.726 1.00 0.83 O ATOM 586 CB PHE A 39 0.699 -0.157 -0.626 1.00 0.70 C ATOM 587 CG PHE A 39 0.277 -0.083 0.840 1.00 0.74 C ATOM 588 CD1 PHE A 39 0.945 -0.882 1.785 1.00 2.36 C ATOM 589 CD2 PHE A 39 -0.812 0.697 1.271 1.00 1.64 C ATOM 590 CE1 PHE A 39 0.464 -0.999 3.100 1.00 2.42 C ATOM 591 CE2 PHE A 39 -1.307 0.575 2.582 1.00 1.71 C ATOM 592 CZ PHE A 39 -0.674 -0.281 3.498 1.00 1.05 C ATOM 0 H PHE A 39 -1.172 -1.642 -2.029 1.00 0.62 H new ATOM 0 HA PHE A 39 -0.706 1.242 -1.478 1.00 0.64 H new ATOM 0 HB2 PHE A 39 1.023 -1.177 -0.833 1.00 0.70 H new ATOM 0 HB3 PHE A 39 1.568 0.487 -0.760 1.00 0.70 H new ATOM 0 HD1 PHE A 39 1.840 -1.413 1.496 1.00 2.36 H new ATOM 0 HD2 PHE A 39 -1.272 1.396 0.589 1.00 1.64 H new ATOM 0 HE1 PHE A 39 0.970 -1.642 3.805 1.00 2.42 H new ATOM 0 HE2 PHE A 39 -2.176 1.141 2.885 1.00 1.71 H new ATOM 0 HZ PHE A 39 -1.060 -0.386 4.501 1.00 1.05 H new ATOM 602 N HIS A 40 0.842 1.284 -3.596 1.00 0.52 N ATOM 603 CA HIS A 40 1.453 1.262 -4.934 1.00 0.44 C ATOM 604 C HIS A 40 2.518 0.185 -5.017 1.00 0.42 C ATOM 605 O HIS A 40 3.122 -0.150 -4.008 1.00 0.52 O ATOM 606 CB HIS A 40 2.168 2.562 -5.295 1.00 0.43 C ATOM 607 CG HIS A 40 1.293 3.728 -5.632 1.00 0.47 C ATOM 608 ND1 HIS A 40 1.154 4.858 -4.839 1.00 0.68 N ATOM 609 CD2 HIS A 40 0.651 3.912 -6.818 1.00 0.54 C ATOM 610 CE1 HIS A 40 0.409 5.715 -5.560 1.00 0.88 C ATOM 611 NE2 HIS A 40 0.088 5.166 -6.750 1.00 0.79 N ATOM 0 H HIS A 40 0.901 2.180 -3.113 1.00 0.52 H new ATOM 0 HA HIS A 40 0.620 1.090 -5.616 1.00 0.44 H new ATOM 0 HB2 HIS A 40 2.807 2.844 -4.459 1.00 0.43 H new ATOM 0 HB3 HIS A 40 2.822 2.368 -6.145 1.00 0.43 H new ATOM 0 HD2 HIS A 40 0.595 3.217 -7.643 1.00 0.54 H new ATOM 0 HE1 HIS A 40 0.111 6.700 -5.234 1.00 0.88 H new ATOM 0 HE2 HIS A 40 -0.477 5.606 -7.477 1.00 0.79 H new ATOM 619 N GLN A 41 2.831 -0.273 -6.229 1.00 0.38 N ATOM 620 CA GLN A 41 3.889 -1.241 -6.436 1.00 0.38 C ATOM 621 C GLN A 41 5.228 -0.665 -5.957 1.00 0.46 C ATOM 622 O GLN A 41 5.988 -1.351 -5.284 1.00 0.99 O ATOM 623 CB GLN A 41 3.908 -1.641 -7.918 1.00 0.49 C ATOM 624 CG GLN A 41 4.648 -2.967 -8.110 1.00 1.07 C ATOM 625 CD GLN A 41 4.605 -3.463 -9.551 1.00 1.45 C ATOM 626 OE1 GLN A 41 5.637 -3.759 -10.138 1.00 2.04 O ATOM 627 NE2 GLN A 41 3.419 -3.614 -10.127 1.00 1.59 N ATOM 0 H GLN A 41 2.358 0.019 -7.084 1.00 0.38 H new ATOM 0 HA GLN A 41 3.711 -2.142 -5.849 1.00 0.38 H new ATOM 0 HB2 GLN A 41 2.887 -1.731 -8.289 1.00 0.49 H new ATOM 0 HB3 GLN A 41 4.392 -0.860 -8.505 1.00 0.49 H new ATOM 0 HG2 GLN A 41 5.687 -2.846 -7.803 1.00 1.07 H new ATOM 0 HG3 GLN A 41 4.208 -3.721 -7.457 1.00 1.07 H new ATOM 0 HE21 GLN A 41 2.570 -3.361 -9.621 1.00 1.59 H new ATOM 0 HE22 GLN A 41 3.356 -3.983 -11.076 1.00 1.59 H new ATOM 636 N VAL A 42 5.517 0.599 -6.283 1.00 0.45 N ATOM 637 CA VAL A 42 6.763 1.248 -5.886 1.00 0.44 C ATOM 638 C VAL A 42 6.765 1.546 -4.385 1.00 0.41 C ATOM 639 O VAL A 42 7.704 1.169 -3.686 1.00 0.39 O ATOM 640 CB VAL A 42 6.996 2.514 -6.727 1.00 0.53 C ATOM 641 CG1 VAL A 42 8.314 3.201 -6.348 1.00 0.76 C ATOM 642 CG2 VAL A 42 7.052 2.146 -8.215 1.00 0.66 C ATOM 0 H VAL A 42 4.894 1.196 -6.827 1.00 0.45 H new ATOM 0 HA VAL A 42 7.593 0.568 -6.078 1.00 0.44 H new ATOM 0 HB VAL A 42 6.170 3.197 -6.531 1.00 0.53 H new ATOM 0 HG11 VAL A 42 8.449 4.092 -6.961 1.00 0.76 H new ATOM 0 HG12 VAL A 42 8.287 3.484 -5.296 1.00 0.76 H new ATOM 0 HG13 VAL A 42 9.144 2.515 -6.518 1.00 0.76 H new ATOM 0 HG21 VAL A 42 7.217 3.046 -8.807 1.00 0.66 H new ATOM 0 HG22 VAL A 42 7.869 1.445 -8.386 1.00 0.66 H new ATOM 0 HG23 VAL A 42 6.110 1.685 -8.511 1.00 0.66 H new ATOM 652 N CYS A 43 5.729 2.218 -3.869 1.00 0.44 N ATOM 653 CA CYS A 43 5.683 2.581 -2.456 1.00 0.44 C ATOM 654 C CYS A 43 5.855 1.327 -1.600 1.00 0.40 C ATOM 655 O CYS A 43 6.587 1.337 -0.616 1.00 0.38 O ATOM 656 CB CYS A 43 4.328 3.208 -2.124 1.00 0.50 C ATOM 657 SG CYS A 43 4.054 4.721 -3.080 1.00 0.61 S ATOM 0 H CYS A 43 4.917 2.518 -4.409 1.00 0.44 H new ATOM 0 HA CYS A 43 6.483 3.292 -2.250 1.00 0.44 H new ATOM 0 HB2 CYS A 43 3.532 2.493 -2.334 1.00 0.50 H new ATOM 0 HB3 CYS A 43 4.280 3.434 -1.059 1.00 0.50 H new ATOM 662 N VAL A 44 5.142 0.254 -1.949 1.00 0.41 N ATOM 663 CA VAL A 44 5.162 -0.966 -1.177 1.00 0.41 C ATOM 664 C VAL A 44 6.441 -1.759 -1.399 1.00 0.37 C ATOM 665 O VAL A 44 6.776 -2.583 -0.560 1.00 0.39 O ATOM 666 CB VAL A 44 3.918 -1.806 -1.447 1.00 0.53 C ATOM 667 CG1 VAL A 44 4.066 -2.682 -2.677 1.00 0.57 C ATOM 668 CG2 VAL A 44 3.646 -2.718 -0.257 1.00 0.66 C ATOM 0 H VAL A 44 4.541 0.217 -2.772 1.00 0.41 H new ATOM 0 HA VAL A 44 5.148 -0.687 -0.123 1.00 0.41 H new ATOM 0 HB VAL A 44 3.097 -1.108 -1.612 1.00 0.53 H new ATOM 0 HG11 VAL A 44 3.153 -3.259 -2.825 1.00 0.57 H new ATOM 0 HG12 VAL A 44 4.244 -2.055 -3.551 1.00 0.57 H new ATOM 0 HG13 VAL A 44 4.907 -3.362 -2.541 1.00 0.57 H new ATOM 0 HG21 VAL A 44 2.757 -3.317 -0.453 1.00 0.66 H new ATOM 0 HG22 VAL A 44 4.500 -3.377 -0.101 1.00 0.66 H new ATOM 0 HG23 VAL A 44 3.487 -2.113 0.636 1.00 0.66 H new ATOM 678 N ASP A 45 7.155 -1.544 -2.502 1.00 0.37 N ATOM 679 CA ASP A 45 8.478 -2.130 -2.671 1.00 0.42 C ATOM 680 C ASP A 45 9.364 -1.631 -1.536 1.00 0.36 C ATOM 681 O ASP A 45 9.807 -2.412 -0.694 1.00 0.40 O ATOM 682 CB ASP A 45 9.074 -1.792 -4.040 1.00 0.52 C ATOM 683 CG ASP A 45 10.448 -2.438 -4.179 1.00 1.20 C ATOM 684 OD1 ASP A 45 10.490 -3.685 -4.113 1.00 1.75 O ATOM 685 OD2 ASP A 45 11.425 -1.675 -4.339 1.00 2.63 O ATOM 0 H ASP A 45 6.840 -0.972 -3.286 1.00 0.37 H new ATOM 0 HA ASP A 45 8.406 -3.217 -2.633 1.00 0.42 H new ATOM 0 HB2 ASP A 45 8.414 -2.146 -4.832 1.00 0.52 H new ATOM 0 HB3 ASP A 45 9.157 -0.711 -4.154 1.00 0.52 H new ATOM 690 N GLN A 46 9.557 -0.313 -1.441 1.00 0.33 N ATOM 691 CA GLN A 46 10.351 0.216 -0.340 1.00 0.38 C ATOM 692 C GLN A 46 9.707 -0.054 1.013 1.00 0.36 C ATOM 693 O GLN A 46 10.418 -0.217 1.997 1.00 0.45 O ATOM 694 CB GLN A 46 10.681 1.702 -0.514 1.00 0.49 C ATOM 695 CG GLN A 46 11.660 1.920 -1.675 1.00 0.61 C ATOM 696 CD GLN A 46 12.530 3.154 -1.446 1.00 1.50 C ATOM 697 OE1 GLN A 46 13.746 3.059 -1.332 1.00 2.25 O ATOM 698 NE2 GLN A 46 11.935 4.335 -1.352 1.00 3.01 N ATOM 0 H GLN A 46 9.188 0.382 -2.090 1.00 0.33 H new ATOM 0 HA GLN A 46 11.297 -0.324 -0.364 1.00 0.38 H new ATOM 0 HB2 GLN A 46 9.764 2.262 -0.698 1.00 0.49 H new ATOM 0 HB3 GLN A 46 11.113 2.092 0.408 1.00 0.49 H new ATOM 0 HG2 GLN A 46 12.295 1.041 -1.787 1.00 0.61 H new ATOM 0 HG3 GLN A 46 11.104 2.033 -2.606 1.00 0.61 H new ATOM 0 HE21 GLN A 46 10.922 4.405 -1.448 1.00 3.01 H new ATOM 0 HE22 GLN A 46 12.490 5.174 -1.183 1.00 3.01 H new ATOM 707 N ALA A 47 8.383 -0.144 1.102 1.00 0.31 N ATOM 708 CA ALA A 47 7.763 -0.516 2.360 1.00 0.37 C ATOM 709 C ALA A 47 8.265 -1.885 2.810 1.00 0.36 C ATOM 710 O ALA A 47 8.701 -2.030 3.943 1.00 0.44 O ATOM 711 CB ALA A 47 6.251 -0.529 2.211 1.00 0.43 C ATOM 0 H ALA A 47 7.735 0.032 0.334 1.00 0.31 H new ATOM 0 HA ALA A 47 8.033 0.219 3.118 1.00 0.37 H new ATOM 0 HB1 ALA A 47 5.794 -0.809 3.160 1.00 0.43 H new ATOM 0 HB2 ALA A 47 5.905 0.463 1.921 1.00 0.43 H new ATOM 0 HB3 ALA A 47 5.967 -1.250 1.445 1.00 0.43 H new ATOM 717 N LEU A 48 8.204 -2.881 1.925 1.00 0.44 N ATOM 718 CA LEU A 48 8.583 -4.256 2.209 1.00 0.56 C ATOM 719 C LEU A 48 10.038 -4.292 2.660 1.00 0.54 C ATOM 720 O LEU A 48 10.333 -4.805 3.739 1.00 0.57 O ATOM 721 CB LEU A 48 8.318 -5.107 0.951 1.00 0.79 C ATOM 722 CG LEU A 48 8.498 -6.631 1.073 1.00 1.03 C ATOM 723 CD1 LEU A 48 9.938 -7.076 1.334 1.00 3.35 C ATOM 724 CD2 LEU A 48 7.576 -7.230 2.136 1.00 1.84 C ATOM 0 H LEU A 48 7.880 -2.745 0.967 1.00 0.44 H new ATOM 0 HA LEU A 48 7.990 -4.676 3.021 1.00 0.56 H new ATOM 0 HB2 LEU A 48 7.296 -4.914 0.624 1.00 0.79 H new ATOM 0 HB3 LEU A 48 8.979 -4.753 0.160 1.00 0.79 H new ATOM 0 HG LEU A 48 8.221 -7.015 0.091 1.00 1.03 H new ATOM 0 HD11 LEU A 48 9.975 -8.163 1.406 1.00 3.35 H new ATOM 0 HD12 LEU A 48 10.575 -6.745 0.514 1.00 3.35 H new ATOM 0 HD13 LEU A 48 10.291 -6.638 2.268 1.00 3.35 H new ATOM 0 HD21 LEU A 48 7.735 -8.307 2.190 1.00 1.84 H new ATOM 0 HD22 LEU A 48 7.798 -6.781 3.104 1.00 1.84 H new ATOM 0 HD23 LEU A 48 6.538 -7.029 1.872 1.00 1.84 H new ATOM 736 N ILE A 49 10.949 -3.755 1.839 1.00 0.58 N ATOM 737 CA ILE A 49 12.376 -3.815 2.133 1.00 0.68 C ATOM 738 C ILE A 49 12.706 -3.084 3.437 1.00 0.67 C ATOM 739 O ILE A 49 13.610 -3.501 4.153 1.00 0.79 O ATOM 740 CB ILE A 49 13.232 -3.334 0.943 1.00 0.75 C ATOM 741 CG1 ILE A 49 13.222 -1.811 0.749 1.00 0.72 C ATOM 742 CG2 ILE A 49 12.828 -4.055 -0.352 1.00 0.79 C ATOM 743 CD1 ILE A 49 14.454 -1.146 1.366 1.00 0.81 C ATOM 0 H ILE A 49 10.718 -3.276 0.969 1.00 0.58 H new ATOM 0 HA ILE A 49 12.638 -4.862 2.286 1.00 0.68 H new ATOM 0 HB ILE A 49 14.261 -3.597 1.190 1.00 0.75 H new ATOM 0 HG12 ILE A 49 13.181 -1.582 -0.316 1.00 0.72 H new ATOM 0 HG13 ILE A 49 12.321 -1.394 1.200 1.00 0.72 H new ATOM 0 HG21 ILE A 49 13.446 -3.698 -1.175 1.00 0.79 H new ATOM 0 HG22 ILE A 49 12.971 -5.129 -0.230 1.00 0.79 H new ATOM 0 HG23 ILE A 49 11.780 -3.851 -0.570 1.00 0.79 H new ATOM 0 HD11 ILE A 49 14.405 -0.069 1.205 1.00 0.81 H new ATOM 0 HD12 ILE A 49 14.481 -1.352 2.436 1.00 0.81 H new ATOM 0 HD13 ILE A 49 15.355 -1.542 0.897 1.00 0.81 H new ATOM 755 N THR A 50 11.993 -1.997 3.751 1.00 0.57 N ATOM 756 CA THR A 50 12.179 -1.273 4.996 1.00 0.60 C ATOM 757 C THR A 50 11.758 -2.163 6.163 1.00 0.60 C ATOM 758 O THR A 50 12.562 -2.474 7.039 1.00 0.73 O ATOM 759 CB THR A 50 11.395 0.051 4.942 1.00 0.58 C ATOM 760 OG1 THR A 50 12.095 0.968 4.129 1.00 0.63 O ATOM 761 CG2 THR A 50 11.188 0.712 6.306 1.00 0.72 C ATOM 0 H THR A 50 11.274 -1.601 3.145 1.00 0.57 H new ATOM 0 HA THR A 50 13.229 -1.018 5.143 1.00 0.60 H new ATOM 0 HB THR A 50 10.411 -0.200 4.545 1.00 0.58 H new ATOM 0 HG1 THR A 50 11.778 0.894 3.205 1.00 0.63 H new ATOM 0 HG21 THR A 50 10.628 1.638 6.180 1.00 0.72 H new ATOM 0 HG22 THR A 50 10.632 0.037 6.957 1.00 0.72 H new ATOM 0 HG23 THR A 50 12.157 0.932 6.754 1.00 0.72 H new ATOM 769 N ASN A 51 10.488 -2.557 6.204 1.00 0.55 N ATOM 770 CA ASN A 51 9.956 -3.430 7.228 1.00 0.58 C ATOM 771 C ASN A 51 8.726 -4.118 6.655 1.00 0.53 C ATOM 772 O ASN A 51 7.760 -3.454 6.300 1.00 0.61 O ATOM 773 CB ASN A 51 9.562 -2.622 8.480 1.00 0.66 C ATOM 774 CG ASN A 51 10.378 -3.028 9.697 1.00 1.46 C ATOM 775 OD1 ASN A 51 11.112 -2.235 10.269 1.00 2.57 O ATOM 776 ND2 ASN A 51 10.249 -4.272 10.139 1.00 2.63 N ATOM 0 H ASN A 51 9.795 -2.270 5.513 1.00 0.55 H new ATOM 0 HA ASN A 51 10.709 -4.161 7.522 1.00 0.58 H new ATOM 0 HB2 ASN A 51 9.704 -1.559 8.286 1.00 0.66 H new ATOM 0 HB3 ASN A 51 8.502 -2.769 8.688 1.00 0.66 H new ATOM 0 HD21 ASN A 51 10.765 -4.576 10.965 1.00 2.63 H new ATOM 0 HD22 ASN A 51 9.634 -4.925 9.653 1.00 2.63 H new ATOM 783 N LYS A 52 8.725 -5.449 6.632 1.00 0.51 N ATOM 784 CA LYS A 52 7.569 -6.273 6.294 1.00 0.49 C ATOM 785 C LYS A 52 6.458 -6.192 7.346 1.00 0.56 C ATOM 786 O LYS A 52 6.134 -7.178 7.994 1.00 1.38 O ATOM 787 CB LYS A 52 8.054 -7.708 6.071 1.00 0.56 C ATOM 788 CG LYS A 52 8.826 -8.321 7.255 1.00 1.87 C ATOM 789 CD LYS A 52 9.970 -9.161 6.689 1.00 1.62 C ATOM 790 CE LYS A 52 10.613 -10.078 7.735 1.00 2.83 C ATOM 791 NZ LYS A 52 11.717 -9.418 8.460 1.00 3.67 N ATOM 0 H LYS A 52 9.554 -6.000 6.855 1.00 0.51 H new ATOM 0 HA LYS A 52 7.114 -5.894 5.379 1.00 0.49 H new ATOM 0 HB2 LYS A 52 7.192 -8.338 5.853 1.00 0.56 H new ATOM 0 HB3 LYS A 52 8.694 -7.727 5.189 1.00 0.56 H new ATOM 0 HG2 LYS A 52 9.215 -7.536 7.904 1.00 1.87 H new ATOM 0 HG3 LYS A 52 8.164 -8.938 7.863 1.00 1.87 H new ATOM 0 HD2 LYS A 52 9.595 -9.767 5.864 1.00 1.62 H new ATOM 0 HD3 LYS A 52 10.731 -8.498 6.278 1.00 1.62 H new ATOM 0 HE2 LYS A 52 9.854 -10.399 8.449 1.00 2.83 H new ATOM 0 HE3 LYS A 52 10.989 -10.976 7.245 1.00 2.83 H new ATOM 0 HZ1 LYS A 52 12.119 -10.078 9.156 1.00 3.67 H new ATOM 0 HZ2 LYS A 52 12.455 -9.135 7.785 1.00 3.67 H new ATOM 0 HZ3 LYS A 52 11.355 -8.576 8.951 1.00 3.67 H new ATOM 805 N LYS A 53 5.844 -5.028 7.527 1.00 0.65 N ATOM 806 CA LYS A 53 4.713 -4.819 8.411 1.00 0.67 C ATOM 807 C LYS A 53 3.881 -3.730 7.752 1.00 0.66 C ATOM 808 O LYS A 53 4.449 -2.747 7.284 1.00 0.90 O ATOM 809 CB LYS A 53 5.190 -4.396 9.815 1.00 1.01 C ATOM 810 CG LYS A 53 5.414 -5.596 10.750 1.00 1.97 C ATOM 811 CD LYS A 53 6.831 -6.166 10.852 1.00 2.76 C ATOM 812 CE LYS A 53 6.662 -7.541 11.511 1.00 4.52 C ATOM 813 NZ LYS A 53 7.793 -8.448 11.255 1.00 5.80 N ATOM 0 H LYS A 53 6.133 -4.178 7.044 1.00 0.65 H new ATOM 0 HA LYS A 53 4.130 -5.729 8.553 1.00 0.67 H new ATOM 0 HB2 LYS A 53 6.119 -3.832 9.725 1.00 1.01 H new ATOM 0 HB3 LYS A 53 4.453 -3.727 10.259 1.00 1.01 H new ATOM 0 HG2 LYS A 53 5.097 -5.304 11.751 1.00 1.97 H new ATOM 0 HG3 LYS A 53 4.752 -6.400 10.428 1.00 1.97 H new ATOM 0 HD2 LYS A 53 7.292 -6.254 9.868 1.00 2.76 H new ATOM 0 HD3 LYS A 53 7.474 -5.519 11.449 1.00 2.76 H new ATOM 0 HE2 LYS A 53 6.546 -7.410 12.587 1.00 4.52 H new ATOM 0 HE3 LYS A 53 5.745 -8.002 11.145 1.00 4.52 H new ATOM 0 HZ1 LYS A 53 8.088 -8.895 12.146 1.00 5.80 H new ATOM 0 HZ2 LYS A 53 7.503 -9.183 10.579 1.00 5.80 H new ATOM 0 HZ3 LYS A 53 8.588 -7.908 10.859 1.00 5.80 H new ATOM 827 N CYS A 54 2.563 -3.914 7.679 1.00 0.53 N ATOM 828 CA CYS A 54 1.644 -2.936 7.108 1.00 0.60 C ATOM 829 C CYS A 54 1.836 -1.634 7.912 1.00 0.73 C ATOM 830 O CYS A 54 1.560 -1.638 9.113 1.00 0.91 O ATOM 831 CB CYS A 54 0.234 -3.537 7.253 1.00 0.60 C ATOM 832 SG CYS A 54 -1.102 -2.408 6.713 1.00 0.82 S ATOM 0 H CYS A 54 2.100 -4.757 8.019 1.00 0.53 H new ATOM 0 HA CYS A 54 1.813 -2.709 6.055 1.00 0.60 H new ATOM 0 HB2 CYS A 54 0.178 -4.457 6.671 1.00 0.60 H new ATOM 0 HB3 CYS A 54 0.069 -3.809 8.296 1.00 0.60 H new ATOM 837 N PRO A 55 2.366 -0.549 7.312 1.00 0.89 N ATOM 838 CA PRO A 55 2.869 0.617 8.028 1.00 1.17 C ATOM 839 C PRO A 55 1.725 1.574 8.377 1.00 1.67 C ATOM 840 O PRO A 55 1.639 2.678 7.849 1.00 3.24 O ATOM 841 CB PRO A 55 3.891 1.250 7.075 1.00 1.65 C ATOM 842 CG PRO A 55 3.290 0.957 5.705 1.00 1.66 C ATOM 843 CD PRO A 55 2.694 -0.435 5.901 1.00 1.10 C ATOM 0 HA PRO A 55 3.328 0.361 8.983 1.00 1.17 H new ATOM 0 HB2 PRO A 55 4.000 2.320 7.250 1.00 1.65 H new ATOM 0 HB3 PRO A 55 4.880 0.806 7.188 1.00 1.65 H new ATOM 0 HG2 PRO A 55 2.531 1.689 5.429 1.00 1.66 H new ATOM 0 HG3 PRO A 55 4.045 0.969 4.919 1.00 1.66 H new ATOM 0 HD2 PRO A 55 1.805 -0.567 5.284 1.00 1.10 H new ATOM 0 HD3 PRO A 55 3.405 -1.206 5.604 1.00 1.10 H new ATOM 851 N ILE A 56 0.853 1.124 9.276 1.00 1.22 N ATOM 852 CA ILE A 56 -0.315 1.807 9.826 1.00 1.42 C ATOM 853 C ILE A 56 -0.912 0.818 10.830 1.00 1.55 C ATOM 854 O ILE A 56 -1.159 1.156 11.983 1.00 2.65 O ATOM 855 CB ILE A 56 -1.305 2.250 8.712 1.00 1.63 C ATOM 856 CG1 ILE A 56 -2.412 3.208 9.195 1.00 2.08 C ATOM 857 CG2 ILE A 56 -1.914 1.092 7.910 1.00 2.74 C ATOM 858 CD1 ILE A 56 -3.281 2.734 10.364 1.00 3.35 C ATOM 0 H ILE A 56 0.955 0.190 9.673 1.00 1.22 H new ATOM 0 HA ILE A 56 -0.058 2.744 10.320 1.00 1.42 H new ATOM 0 HB ILE A 56 -0.664 2.811 8.032 1.00 1.63 H new ATOM 0 HG12 ILE A 56 -1.944 4.150 9.481 1.00 2.08 H new ATOM 0 HG13 ILE A 56 -3.067 3.421 8.351 1.00 2.08 H new ATOM 0 HG21 ILE A 56 -2.592 1.489 7.155 1.00 2.74 H new ATOM 0 HG22 ILE A 56 -1.118 0.529 7.423 1.00 2.74 H new ATOM 0 HG23 ILE A 56 -2.465 0.434 8.582 1.00 2.74 H new ATOM 0 HD11 ILE A 56 -4.018 3.500 10.603 1.00 3.35 H new ATOM 0 HD12 ILE A 56 -3.792 1.812 10.087 1.00 3.35 H new ATOM 0 HD13 ILE A 56 -2.651 2.552 11.235 1.00 3.35 H new ATOM 870 N CYS A 57 -1.097 -0.424 10.374 1.00 1.10 N ATOM 871 CA CYS A 57 -1.498 -1.565 11.172 1.00 1.11 C ATOM 872 C CYS A 57 -0.204 -2.135 11.801 1.00 1.33 C ATOM 873 O CYS A 57 0.516 -1.411 12.485 1.00 2.73 O ATOM 874 CB CYS A 57 -2.381 -2.501 10.284 1.00 1.05 C ATOM 875 SG CYS A 57 -2.105 -2.321 8.472 1.00 1.23 S ATOM 0 H CYS A 57 -0.963 -0.663 9.391 1.00 1.10 H new ATOM 0 HA CYS A 57 -2.150 -1.351 12.019 1.00 1.11 H new ATOM 0 HB2 CYS A 57 -2.189 -3.536 10.567 1.00 1.05 H new ATOM 0 HB3 CYS A 57 -3.431 -2.301 10.500 1.00 1.05 H new ATOM 880 N ARG A 58 0.106 -3.424 11.636 1.00 0.88 N ATOM 881 CA ARG A 58 1.338 -4.036 12.164 1.00 0.87 C ATOM 882 C ARG A 58 1.526 -5.434 11.600 1.00 1.00 C ATOM 883 O ARG A 58 2.649 -5.913 11.514 1.00 1.90 O ATOM 884 CB ARG A 58 1.358 -4.153 13.704 1.00 1.13 C ATOM 885 CG ARG A 58 2.809 -4.168 14.228 1.00 1.32 C ATOM 886 CD ARG A 58 3.002 -5.093 15.440 1.00 2.33 C ATOM 887 NE ARG A 58 4.245 -4.773 16.168 1.00 2.70 N ATOM 888 CZ ARG A 58 4.909 -5.581 17.009 1.00 3.93 C ATOM 889 NH1 ARG A 58 5.958 -5.114 17.691 1.00 4.42 N ATOM 890 NH2 ARG A 58 4.533 -6.849 17.176 1.00 5.08 N ATOM 0 H ARG A 58 -0.491 -4.079 11.131 1.00 0.88 H new ATOM 0 HA ARG A 58 2.143 -3.368 11.856 1.00 0.87 H new ATOM 0 HB2 ARG A 58 0.815 -3.317 14.145 1.00 1.13 H new ATOM 0 HB3 ARG A 58 0.845 -5.064 14.012 1.00 1.13 H new ATOM 0 HG2 ARG A 58 3.475 -4.486 13.426 1.00 1.32 H new ATOM 0 HG3 ARG A 58 3.101 -3.154 14.502 1.00 1.32 H new ATOM 0 HD2 ARG A 58 2.150 -4.997 16.112 1.00 2.33 H new ATOM 0 HD3 ARG A 58 3.030 -6.131 15.107 1.00 2.33 H new ATOM 0 HE ARG A 58 4.639 -3.844 16.017 1.00 2.70 H new ATOM 0 HH11 ARG A 58 6.253 -4.145 17.572 1.00 4.42 H new ATOM 0 HH12 ARG A 58 6.464 -5.726 18.331 1.00 4.42 H new ATOM 0 HH21 ARG A 58 3.732 -7.215 16.661 1.00 5.08 H new ATOM 0 HH22 ARG A 58 5.046 -7.453 17.818 1.00 5.08 H new ATOM 904 N VAL A 59 0.418 -6.106 11.288 1.00 0.69 N ATOM 905 CA VAL A 59 0.349 -7.381 10.610 1.00 0.66 C ATOM 906 C VAL A 59 1.459 -7.506 9.563 1.00 0.59 C ATOM 907 O VAL A 59 1.665 -6.604 8.746 1.00 0.61 O ATOM 908 CB VAL A 59 -1.064 -7.517 10.021 1.00 0.68 C ATOM 909 CG1 VAL A 59 -2.107 -7.621 11.143 1.00 2.19 C ATOM 910 CG2 VAL A 59 -1.447 -6.335 9.119 1.00 2.23 C ATOM 0 H VAL A 59 -0.507 -5.744 11.520 1.00 0.69 H new ATOM 0 HA VAL A 59 0.519 -8.205 11.303 1.00 0.66 H new ATOM 0 HB VAL A 59 -1.053 -8.424 9.417 1.00 0.68 H new ATOM 0 HG11 VAL A 59 -3.102 -7.717 10.707 1.00 2.19 H new ATOM 0 HG12 VAL A 59 -1.894 -8.496 11.758 1.00 2.19 H new ATOM 0 HG13 VAL A 59 -2.067 -6.724 11.762 1.00 2.19 H new ATOM 0 HG21 VAL A 59 -2.455 -6.485 8.731 1.00 2.23 H new ATOM 0 HG22 VAL A 59 -1.414 -5.411 9.696 1.00 2.23 H new ATOM 0 HG23 VAL A 59 -0.745 -6.269 8.288 1.00 2.23 H new ATOM 920 N ASP A 60 2.215 -8.600 9.646 1.00 0.57 N ATOM 921 CA ASP A 60 3.333 -8.855 8.754 1.00 0.55 C ATOM 922 C ASP A 60 2.786 -9.135 7.353 1.00 0.53 C ATOM 923 O ASP A 60 1.653 -9.598 7.209 1.00 0.59 O ATOM 924 CB ASP A 60 4.168 -10.021 9.305 1.00 0.70 C ATOM 925 CG ASP A 60 5.603 -10.010 8.774 1.00 1.03 C ATOM 926 OD1 ASP A 60 5.767 -9.985 7.536 1.00 1.54 O ATOM 927 OD2 ASP A 60 6.527 -9.991 9.624 1.00 2.25 O ATOM 0 H ASP A 60 2.064 -9.334 10.338 1.00 0.57 H new ATOM 0 HA ASP A 60 3.992 -7.989 8.690 1.00 0.55 H new ATOM 0 HB2 ASP A 60 4.185 -9.970 10.394 1.00 0.70 H new ATOM 0 HB3 ASP A 60 3.691 -10.964 9.038 1.00 0.70 H new ATOM 932 N ILE A 61 3.568 -8.828 6.323 1.00 0.49 N ATOM 933 CA ILE A 61 3.165 -8.985 4.932 1.00 0.50 C ATOM 934 C ILE A 61 4.065 -9.941 4.154 1.00 0.55 C ATOM 935 O ILE A 61 3.713 -10.344 3.047 1.00 0.59 O ATOM 936 CB ILE A 61 3.127 -7.624 4.249 1.00 0.49 C ATOM 937 CG1 ILE A 61 4.503 -6.947 4.299 1.00 0.54 C ATOM 938 CG2 ILE A 61 2.070 -6.738 4.909 1.00 0.46 C ATOM 939 CD1 ILE A 61 4.517 -5.750 3.365 1.00 0.51 C ATOM 0 H ILE A 61 4.512 -8.458 6.434 1.00 0.49 H new ATOM 0 HA ILE A 61 2.169 -9.429 4.936 1.00 0.50 H new ATOM 0 HB ILE A 61 2.863 -7.770 3.202 1.00 0.49 H new ATOM 0 HG12 ILE A 61 4.726 -6.629 5.317 1.00 0.54 H new ATOM 0 HG13 ILE A 61 5.279 -7.656 4.009 1.00 0.54 H new ATOM 0 HG21 ILE A 61 2.049 -5.767 4.415 1.00 0.46 H new ATOM 0 HG22 ILE A 61 1.092 -7.211 4.821 1.00 0.46 H new ATOM 0 HG23 ILE A 61 2.314 -6.604 5.963 1.00 0.46 H new ATOM 0 HD11 ILE A 61 5.495 -5.271 3.402 1.00 0.51 H new ATOM 0 HD12 ILE A 61 4.314 -6.081 2.347 1.00 0.51 H new ATOM 0 HD13 ILE A 61 3.752 -5.038 3.675 1.00 0.51 H new ATOM 951 N GLU A 62 5.236 -10.270 4.695 1.00 0.56 N ATOM 952 CA GLU A 62 6.099 -11.280 4.107 1.00 0.60 C ATOM 953 C GLU A 62 5.325 -12.593 3.989 1.00 0.67 C ATOM 954 O GLU A 62 4.646 -13.007 4.927 1.00 1.51 O ATOM 955 CB GLU A 62 7.362 -11.494 4.955 1.00 0.67 C ATOM 956 CG GLU A 62 8.562 -11.779 4.041 1.00 1.07 C ATOM 957 CD GLU A 62 9.653 -12.589 4.747 1.00 1.40 C ATOM 958 OE1 GLU A 62 10.413 -11.983 5.537 1.00 2.39 O ATOM 959 OE2 GLU A 62 9.713 -13.808 4.481 1.00 2.23 O ATOM 0 H GLU A 62 5.607 -9.846 5.545 1.00 0.56 H new ATOM 0 HA GLU A 62 6.411 -10.940 3.120 1.00 0.60 H new ATOM 0 HB2 GLU A 62 7.558 -10.610 5.562 1.00 0.67 H new ATOM 0 HB3 GLU A 62 7.212 -12.326 5.643 1.00 0.67 H new ATOM 0 HG2 GLU A 62 8.223 -12.322 3.159 1.00 1.07 H new ATOM 0 HG3 GLU A 62 8.982 -10.836 3.692 1.00 1.07 H new ATOM 966 N ALA A 63 5.426 -13.259 2.841 1.00 1.32 N ATOM 967 CA ALA A 63 4.764 -14.532 2.630 1.00 1.45 C ATOM 968 C ALA A 63 5.602 -15.353 1.663 1.00 2.30 C ATOM 969 O ALA A 63 5.247 -15.533 0.500 1.00 3.26 O ATOM 970 CB ALA A 63 3.352 -14.298 2.097 1.00 1.72 C ATOM 0 H ALA A 63 5.966 -12.930 2.040 1.00 1.32 H new ATOM 0 HA ALA A 63 4.671 -15.080 3.568 1.00 1.45 H new ATOM 0 HB1 ALA A 63 2.859 -15.257 1.940 1.00 1.72 H new ATOM 0 HB2 ALA A 63 2.783 -13.711 2.818 1.00 1.72 H new ATOM 0 HB3 ALA A 63 3.405 -13.758 1.152 1.00 1.72 H new ATOM 976 N GLN A 64 6.739 -15.835 2.150 1.00 3.07 N ATOM 977 CA GLN A 64 7.615 -16.704 1.387 1.00 4.03 C ATOM 978 C GLN A 64 8.333 -17.636 2.362 1.00 4.30 C ATOM 979 O GLN A 64 8.124 -17.548 3.571 1.00 5.13 O ATOM 980 CB GLN A 64 8.574 -15.856 0.530 1.00 5.80 C ATOM 981 CG GLN A 64 8.757 -16.487 -0.858 1.00 6.89 C ATOM 982 CD GLN A 64 9.574 -15.613 -1.807 1.00 8.57 C ATOM 983 OE1 GLN A 64 9.856 -14.453 -1.539 1.00 9.51 O ATOM 984 NE2 GLN A 64 9.964 -16.158 -2.952 1.00 9.41 N ATOM 0 H GLN A 64 7.077 -15.631 3.090 1.00 3.07 H new ATOM 0 HA GLN A 64 7.053 -17.324 0.688 1.00 4.03 H new ATOM 0 HB2 GLN A 64 8.181 -14.845 0.427 1.00 5.80 H new ATOM 0 HB3 GLN A 64 9.540 -15.773 1.028 1.00 5.80 H new ATOM 0 HG2 GLN A 64 9.248 -17.454 -0.750 1.00 6.89 H new ATOM 0 HG3 GLN A 64 7.778 -16.675 -1.298 1.00 6.89 H new ATOM 0 HE21 GLN A 64 9.723 -17.126 -3.164 1.00 9.41 H new ATOM 0 HE22 GLN A 64 10.505 -15.609 -3.620 1.00 9.41 H new ATOM 993 N LEU A 65 9.137 -18.564 1.846 1.00 4.64 N ATOM 994 CA LEU A 65 9.826 -19.547 2.666 1.00 5.57 C ATOM 995 C LEU A 65 11.196 -18.962 3.011 1.00 6.07 C ATOM 996 O LEU A 65 11.989 -18.732 2.099 1.00 6.49 O ATOM 997 CB LEU A 65 9.909 -20.857 1.865 1.00 6.44 C ATOM 998 CG LEU A 65 10.050 -22.100 2.758 1.00 7.72 C ATOM 999 CD1 LEU A 65 9.424 -23.298 2.039 1.00 8.54 C ATOM 1000 CD2 LEU A 65 11.511 -22.417 3.077 1.00 8.95 C ATOM 0 H LEU A 65 9.326 -18.652 0.848 1.00 4.64 H new ATOM 0 HA LEU A 65 9.309 -19.772 3.599 1.00 5.57 H new ATOM 0 HB2 LEU A 65 9.014 -20.958 1.250 1.00 6.44 H new ATOM 0 HB3 LEU A 65 10.759 -20.807 1.185 1.00 6.44 H new ATOM 0 HG LEU A 65 9.541 -21.897 3.700 1.00 7.72 H new ATOM 0 HD11 LEU A 65 9.518 -24.187 2.663 1.00 8.54 H new ATOM 0 HD12 LEU A 65 8.370 -23.098 1.849 1.00 8.54 H new ATOM 0 HD13 LEU A 65 9.938 -23.464 1.092 1.00 8.54 H new ATOM 0 HD21 LEU A 65 11.561 -23.303 3.710 1.00 8.95 H new ATOM 0 HD22 LEU A 65 12.054 -22.602 2.150 1.00 8.95 H new ATOM 0 HD23 LEU A 65 11.961 -21.572 3.598 1.00 8.95 H new ATOM 1012 N PRO A 66 11.479 -18.660 4.286 1.00 6.67 N ATOM 1013 CA PRO A 66 12.694 -17.959 4.662 1.00 7.53 C ATOM 1014 C PRO A 66 13.898 -18.894 4.560 1.00 8.25 C ATOM 1015 O PRO A 66 13.802 -20.079 4.880 1.00 8.90 O ATOM 1016 CB PRO A 66 12.454 -17.490 6.100 1.00 8.60 C ATOM 1017 CG PRO A 66 11.496 -18.542 6.656 1.00 8.70 C ATOM 1018 CD PRO A 66 10.634 -18.895 5.443 1.00 7.23 C ATOM 0 HA PRO A 66 12.913 -17.116 4.006 1.00 7.53 H new ATOM 0 HB2 PRO A 66 13.382 -17.449 6.670 1.00 8.60 H new ATOM 0 HB3 PRO A 66 12.017 -16.492 6.130 1.00 8.60 H new ATOM 0 HG2 PRO A 66 12.030 -19.412 7.039 1.00 8.70 H new ATOM 0 HG3 PRO A 66 10.896 -18.149 7.477 1.00 8.70 H new ATOM 0 HD2 PRO A 66 10.305 -19.933 5.484 1.00 7.23 H new ATOM 0 HD3 PRO A 66 9.737 -18.277 5.406 1.00 7.23 H new ATOM 1026 N SER A 67 15.039 -18.359 4.127 1.00 8.53 N ATOM 1027 CA SER A 67 16.299 -19.085 4.120 1.00 9.53 C ATOM 1028 C SER A 67 17.028 -18.897 5.448 1.00 10.15 C ATOM 1029 O SER A 67 16.700 -18.002 6.225 1.00 10.11 O ATOM 1030 CB SER A 67 17.171 -18.561 2.977 1.00 10.20 C ATOM 1031 OG SER A 67 16.562 -18.848 1.734 1.00 10.23 O ATOM 0 H SER A 67 15.111 -17.406 3.771 1.00 8.53 H new ATOM 0 HA SER A 67 16.100 -20.147 3.979 1.00 9.53 H new ATOM 0 HB2 SER A 67 17.314 -17.486 3.081 1.00 10.20 H new ATOM 0 HB3 SER A 67 18.159 -19.020 3.022 1.00 10.20 H new ATOM 0 HG SER A 67 17.125 -18.508 1.008 1.00 10.23 H new ATOM 1037 N GLU A 68 18.055 -19.719 5.672 1.00 11.12 N ATOM 1038 CA GLU A 68 18.989 -19.562 6.776 1.00 12.00 C ATOM 1039 C GLU A 68 19.626 -18.173 6.692 1.00 12.07 C ATOM 1040 O GLU A 68 20.152 -17.805 5.641 1.00 12.09 O ATOM 1041 CB GLU A 68 20.080 -20.640 6.667 1.00 12.92 C ATOM 1042 CG GLU A 68 19.537 -22.068 6.805 1.00 13.61 C ATOM 1043 CD GLU A 68 18.959 -22.322 8.196 1.00 14.26 C ATOM 1044 OE1 GLU A 68 17.722 -22.478 8.282 1.00 14.37 O ATOM 1045 OE2 GLU A 68 19.764 -22.348 9.152 1.00 14.99 O ATOM 0 H GLU A 68 18.260 -20.523 5.079 1.00 11.12 H new ATOM 0 HA GLU A 68 18.469 -19.668 7.728 1.00 12.00 H new ATOM 0 HB2 GLU A 68 20.584 -20.541 5.705 1.00 12.92 H new ATOM 0 HB3 GLU A 68 20.830 -20.468 7.439 1.00 12.92 H new ATOM 0 HG2 GLU A 68 18.765 -22.238 6.054 1.00 13.61 H new ATOM 0 HG3 GLU A 68 20.337 -22.782 6.608 1.00 13.61 H new ATOM 1052 N SER A 69 19.577 -17.401 7.778 1.00 12.37 N ATOM 1053 CA SER A 69 20.220 -16.102 7.892 1.00 12.67 C ATOM 1054 C SER A 69 20.278 -15.730 9.373 1.00 13.50 C ATOM 1055 O SER A 69 20.748 -14.602 9.639 1.00 13.43 O ATOM 1056 CB SER A 69 19.427 -15.061 7.094 1.00 11.92 C ATOM 1057 OG SER A 69 20.116 -13.825 7.074 1.00 12.10 O ATOM 1058 OXT SER A 69 19.820 -16.556 10.192 1.00 14.50 O ATOM 0 H SER A 69 19.074 -17.674 8.622 1.00 12.37 H new ATOM 0 HA SER A 69 21.231 -16.134 7.486 1.00 12.67 H new ATOM 0 HB2 SER A 69 19.273 -15.415 6.075 1.00 11.92 H new ATOM 0 HB3 SER A 69 18.440 -14.928 7.538 1.00 11.92 H new ATOM 0 HG SER A 69 20.582 -13.696 7.927 1.00 12.10 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 2.008 5.117 -2.944 1.00 0.85 ZN HETATM 1066 ZN ZN A 102 -3.129 -3.240 6.728 1.00 1.03 ZN