USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 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 Set 1.1: A 51 ASN : amide:sc= -1.25! C(o=-0.86!,f=-11!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 154:sc= 0.398 (180deg=0) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -110:sc= 1.13 (180deg=-0.377) USER MOD Set 2.2: A 3 GLN : amide:sc= 0.859 K(o=2,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.194 (180deg=0.156) USER MOD Single : A 9 THR OG1 : rot 160:sc= 0.756 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.0412 USER MOD Single : A 22 SER OG : rot 68:sc= 0.712 USER MOD Single : A 36 MET CE :methyl -178:sc= 0 (180deg=-0.0173) USER MOD Single : A 41 GLN : amide:sc= 0.298 X(o=0.3,f=-0.0015) USER MOD Single : A 46 GLN : amide:sc= 0.635 K(o=0.64,f=-0.12) USER MOD Single : A 50 THR OG1 : rot 87:sc= 0.887 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 0.931 (180deg=0.408) USER MOD Single : A 64 GLN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 69 SER OG : rot -48:sc= 0.558 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.931 36.464 -14.263 1.00 22.38 N ATOM 2 CA MET A 1 -12.738 36.153 -13.459 1.00 22.17 C ATOM 3 C MET A 1 -13.093 35.242 -12.297 1.00 21.48 C ATOM 4 O MET A 1 -13.696 35.696 -11.332 1.00 21.68 O ATOM 5 CB MET A 1 -12.071 37.428 -12.923 1.00 22.53 C ATOM 6 CG MET A 1 -10.976 37.872 -13.889 1.00 23.10 C ATOM 7 SD MET A 1 -11.606 38.639 -15.399 1.00 24.00 S ATOM 8 CE MET A 1 -11.891 40.308 -14.752 1.00 24.34 C ATOM 0 H1 MET A 1 -13.704 37.216 -14.945 1.00 22.38 H new ATOM 0 H2 MET A 1 -14.236 35.612 -14.776 1.00 22.38 H new ATOM 0 H3 MET A 1 -14.697 36.784 -13.637 1.00 22.38 H new ATOM 0 HA MET A 1 -12.033 35.643 -14.115 1.00 22.17 H new ATOM 0 HB2 MET A 1 -12.812 38.219 -12.808 1.00 22.53 H new ATOM 0 HB3 MET A 1 -11.647 37.243 -11.936 1.00 22.53 H new ATOM 0 HG2 MET A 1 -10.319 38.578 -13.380 1.00 23.10 H new ATOM 0 HG3 MET A 1 -10.368 37.008 -14.157 1.00 23.10 H new ATOM 0 HE1 MET A 1 -12.286 40.943 -15.545 1.00 24.34 H new ATOM 0 HE2 MET A 1 -12.608 40.263 -13.932 1.00 24.34 H new ATOM 0 HE3 MET A 1 -10.951 40.723 -14.390 1.00 24.34 H new ATOM 20 N LYS A 2 -12.648 33.988 -12.383 1.00 20.84 N ATOM 21 CA LYS A 2 -11.544 33.427 -11.592 1.00 20.26 C ATOM 22 C LYS A 2 -10.497 33.029 -12.645 1.00 19.63 C ATOM 23 O LYS A 2 -10.517 33.638 -13.716 1.00 19.82 O ATOM 24 CB LYS A 2 -10.947 34.420 -10.559 1.00 20.38 C ATOM 25 CG LYS A 2 -9.782 35.272 -11.096 1.00 20.75 C ATOM 26 CD LYS A 2 -9.346 36.399 -10.150 1.00 21.14 C ATOM 27 CE LYS A 2 -8.870 35.875 -8.790 1.00 21.08 C ATOM 28 NZ LYS A 2 -9.958 35.786 -7.793 1.00 21.12 N ATOM 0 H LYS A 2 -13.057 33.310 -13.025 1.00 20.84 H new ATOM 0 HA LYS A 2 -11.888 32.592 -10.981 1.00 20.26 H new ATOM 0 HB2 LYS A 2 -11.738 35.085 -10.213 1.00 20.38 H new ATOM 0 HB3 LYS A 2 -10.601 33.858 -9.691 1.00 20.38 H new ATOM 0 HG2 LYS A 2 -8.928 34.622 -11.288 1.00 20.75 H new ATOM 0 HG3 LYS A 2 -10.074 35.706 -12.052 1.00 20.75 H new ATOM 0 HD2 LYS A 2 -8.543 36.970 -10.617 1.00 21.14 H new ATOM 0 HD3 LYS A 2 -10.179 37.085 -10.000 1.00 21.14 H new ATOM 0 HE2 LYS A 2 -8.424 34.889 -8.922 1.00 21.08 H new ATOM 0 HE3 LYS A 2 -8.087 36.530 -8.408 1.00 21.08 H new ATOM 0 HZ1 LYS A 2 -9.819 36.512 -7.061 1.00 21.12 H new ATOM 0 HZ2 LYS A 2 -10.873 35.939 -8.263 1.00 21.12 H new ATOM 0 HZ3 LYS A 2 -9.949 34.844 -7.352 1.00 21.12 H new ATOM 42 N GLN A 3 -9.557 32.116 -12.405 1.00 19.11 N ATOM 43 CA GLN A 3 -9.532 31.089 -11.375 1.00 18.26 C ATOM 44 C GLN A 3 -10.793 30.221 -11.479 1.00 17.44 C ATOM 45 O GLN A 3 -11.148 29.819 -12.583 1.00 17.80 O ATOM 46 CB GLN A 3 -8.972 31.616 -10.021 1.00 18.35 C ATOM 47 CG GLN A 3 -9.743 31.460 -8.697 1.00 18.17 C ATOM 48 CD GLN A 3 -9.006 32.120 -7.543 1.00 18.49 C ATOM 49 OE1 GLN A 3 -9.221 33.293 -7.248 1.00 18.56 O ATOM 50 NE2 GLN A 3 -8.129 31.384 -6.879 1.00 18.96 N ATOM 0 H GLN A 3 -8.717 32.077 -12.983 1.00 19.11 H new ATOM 0 HA GLN A 3 -8.768 30.326 -11.524 1.00 18.26 H new ATOM 0 HB2 GLN A 3 -8.002 31.140 -9.877 1.00 18.35 H new ATOM 0 HB3 GLN A 3 -8.787 32.682 -10.152 1.00 18.35 H new ATOM 0 HG2 GLN A 3 -10.734 31.902 -8.798 1.00 18.17 H new ATOM 0 HG3 GLN A 3 -9.887 30.401 -8.481 1.00 18.17 H new ATOM 0 HE21 GLN A 3 -7.972 30.413 -7.147 1.00 18.96 H new ATOM 0 HE22 GLN A 3 -7.610 31.788 -6.099 1.00 18.96 H new ATOM 59 N ASP A 4 -11.444 29.890 -10.376 1.00 16.54 N ATOM 60 CA ASP A 4 -12.009 28.589 -10.095 1.00 15.81 C ATOM 61 C ASP A 4 -12.960 28.826 -8.924 1.00 15.04 C ATOM 62 O ASP A 4 -13.088 29.951 -8.432 1.00 15.25 O ATOM 63 CB ASP A 4 -10.904 27.618 -9.604 1.00 15.83 C ATOM 64 CG ASP A 4 -9.575 27.692 -10.358 1.00 16.05 C ATOM 65 OD1 ASP A 4 -8.755 28.558 -9.971 1.00 16.17 O ATOM 66 OD2 ASP A 4 -9.391 26.923 -11.323 1.00 16.42 O ATOM 0 H ASP A 4 -11.598 30.556 -9.619 1.00 16.54 H new ATOM 0 HA ASP A 4 -12.486 28.163 -10.978 1.00 15.81 H new ATOM 0 HB2 ASP A 4 -10.714 27.816 -8.549 1.00 15.83 H new ATOM 0 HB3 ASP A 4 -11.284 26.599 -9.673 1.00 15.83 H new ATOM 71 N GLY A 5 -13.512 27.751 -8.385 1.00 14.37 N ATOM 72 CA GLY A 5 -13.812 27.657 -6.973 1.00 13.79 C ATOM 73 C GLY A 5 -13.173 26.356 -6.514 1.00 12.98 C ATOM 74 O GLY A 5 -12.083 26.024 -6.967 1.00 13.02 O ATOM 0 H GLY A 5 -13.764 26.919 -8.919 1.00 14.37 H new ATOM 0 HA2 GLY A 5 -13.406 28.509 -6.427 1.00 13.79 H new ATOM 0 HA3 GLY A 5 -14.888 27.650 -6.799 1.00 13.79 H new ATOM 78 N GLU A 6 -13.899 25.604 -5.691 1.00 12.50 N ATOM 79 CA GLU A 6 -13.766 24.162 -5.560 1.00 11.75 C ATOM 80 C GLU A 6 -12.327 23.617 -5.604 1.00 11.17 C ATOM 81 O GLU A 6 -11.514 23.969 -4.752 1.00 11.70 O ATOM 82 CB GLU A 6 -14.804 23.464 -6.472 1.00 11.73 C ATOM 83 CG GLU A 6 -15.153 24.112 -7.829 1.00 12.00 C ATOM 84 CD GLU A 6 -14.038 24.152 -8.879 1.00 11.90 C ATOM 85 OE1 GLU A 6 -13.316 23.143 -9.010 1.00 12.03 O ATOM 86 OE2 GLU A 6 -13.956 25.189 -9.574 1.00 12.10 O ATOM 0 H GLU A 6 -14.616 25.996 -5.081 1.00 12.50 H new ATOM 0 HA GLU A 6 -14.016 23.891 -4.534 1.00 11.75 H new ATOM 0 HB2 GLU A 6 -14.444 22.455 -6.671 1.00 11.73 H new ATOM 0 HB3 GLU A 6 -15.730 23.366 -5.905 1.00 11.73 H new ATOM 0 HG2 GLU A 6 -16.002 23.576 -8.254 1.00 12.00 H new ATOM 0 HG3 GLU A 6 -15.482 25.134 -7.643 1.00 12.00 H new ATOM 93 N GLU A 7 -12.065 22.645 -6.472 1.00 10.45 N ATOM 94 CA GLU A 7 -11.757 21.278 -6.084 1.00 10.04 C ATOM 95 C GLU A 7 -12.306 20.394 -7.207 1.00 9.22 C ATOM 96 O GLU A 7 -13.520 20.332 -7.392 1.00 9.28 O ATOM 97 CB GLU A 7 -12.480 20.863 -4.784 1.00 10.54 C ATOM 98 CG GLU A 7 -11.703 21.029 -3.474 1.00 10.68 C ATOM 99 CD GLU A 7 -12.476 20.372 -2.326 1.00 11.62 C ATOM 100 OE1 GLU A 7 -12.981 21.118 -1.458 1.00 12.47 O ATOM 101 OE2 GLU A 7 -12.570 19.123 -2.341 1.00 11.84 O ATOM 0 H GLU A 7 -12.061 22.790 -7.482 1.00 10.45 H new ATOM 0 HA GLU A 7 -10.684 21.181 -5.920 1.00 10.04 H new ATOM 0 HB2 GLU A 7 -13.400 21.442 -4.708 1.00 10.54 H new ATOM 0 HB3 GLU A 7 -12.769 19.816 -4.876 1.00 10.54 H new ATOM 0 HG2 GLU A 7 -10.716 20.576 -3.566 1.00 10.68 H new ATOM 0 HG3 GLU A 7 -11.550 22.087 -3.263 1.00 10.68 H new ATOM 108 N GLY A 8 -11.458 19.654 -7.920 1.00 8.88 N ATOM 109 CA GLY A 8 -11.971 18.559 -8.727 1.00 8.35 C ATOM 110 C GLY A 8 -12.397 17.449 -7.776 1.00 7.65 C ATOM 111 O GLY A 8 -11.591 16.578 -7.454 1.00 8.11 O ATOM 0 H GLY A 8 -10.447 19.788 -7.954 1.00 8.88 H new ATOM 0 HA2 GLY A 8 -12.815 18.891 -9.331 1.00 8.35 H new ATOM 0 HA3 GLY A 8 -11.207 18.201 -9.417 1.00 8.35 H new ATOM 115 N THR A 9 -13.641 17.519 -7.298 1.00 6.94 N ATOM 116 CA THR A 9 -14.237 16.566 -6.378 1.00 6.48 C ATOM 117 C THR A 9 -15.623 16.223 -6.888 1.00 6.10 C ATOM 118 O THR A 9 -16.526 17.054 -6.875 1.00 6.53 O ATOM 119 CB THR A 9 -14.184 17.059 -4.924 1.00 7.03 C ATOM 120 OG1 THR A 9 -12.842 17.343 -4.582 1.00 7.40 O ATOM 121 CG2 THR A 9 -15.032 18.305 -4.694 1.00 7.76 C ATOM 0 H THR A 9 -14.280 18.272 -7.555 1.00 6.94 H new ATOM 0 HA THR A 9 -13.659 15.642 -6.349 1.00 6.48 H new ATOM 0 HB THR A 9 -14.591 16.267 -4.295 1.00 7.03 H new ATOM 0 HG1 THR A 9 -12.822 17.941 -3.806 1.00 7.40 H new ATOM 0 HG21 THR A 9 -14.957 18.609 -3.650 1.00 7.76 H new ATOM 0 HG22 THR A 9 -14.674 19.112 -5.333 1.00 7.76 H new ATOM 0 HG23 THR A 9 -16.072 18.086 -4.934 1.00 7.76 H new ATOM 129 N GLU A 10 -15.824 15.026 -7.432 1.00 5.88 N ATOM 130 CA GLU A 10 -14.944 13.872 -7.569 1.00 5.22 C ATOM 131 C GLU A 10 -14.532 13.312 -6.209 1.00 4.51 C ATOM 132 O GLU A 10 -15.027 13.741 -5.166 1.00 4.87 O ATOM 133 CB GLU A 10 -13.787 14.092 -8.561 1.00 5.55 C ATOM 134 CG GLU A 10 -14.251 14.722 -9.878 1.00 6.42 C ATOM 135 CD GLU A 10 -13.062 15.016 -10.794 1.00 7.22 C ATOM 136 OE1 GLU A 10 -12.675 16.205 -10.869 1.00 7.84 O ATOM 137 OE2 GLU A 10 -12.565 14.051 -11.417 1.00 7.68 O ATOM 0 H GLU A 10 -16.734 14.817 -7.843 1.00 5.88 H new ATOM 0 HA GLU A 10 -15.525 13.081 -8.043 1.00 5.22 H new ATOM 0 HB2 GLU A 10 -13.036 14.734 -8.101 1.00 5.55 H new ATOM 0 HB3 GLU A 10 -13.306 13.137 -8.769 1.00 5.55 H new ATOM 0 HG2 GLU A 10 -14.945 14.050 -10.382 1.00 6.42 H new ATOM 0 HG3 GLU A 10 -14.793 15.645 -9.673 1.00 6.42 H new ATOM 144 N GLU A 11 -13.701 12.277 -6.235 1.00 4.16 N ATOM 145 CA GLU A 11 -13.880 11.132 -5.365 1.00 3.99 C ATOM 146 C GLU A 11 -12.539 10.457 -5.131 1.00 3.32 C ATOM 147 O GLU A 11 -11.498 11.056 -5.392 1.00 3.47 O ATOM 148 CB GLU A 11 -14.932 10.222 -6.036 1.00 4.93 C ATOM 149 CG GLU A 11 -16.355 10.599 -5.595 1.00 5.61 C ATOM 150 CD GLU A 11 -17.324 10.685 -6.775 1.00 6.65 C ATOM 151 OE1 GLU A 11 -17.375 11.771 -7.397 1.00 7.02 O ATOM 152 OE2 GLU A 11 -18.007 9.672 -7.040 1.00 7.53 O ATOM 0 H GLU A 11 -12.893 12.212 -6.855 1.00 4.16 H new ATOM 0 HA GLU A 11 -14.245 11.405 -4.375 1.00 3.99 H new ATOM 0 HB2 GLU A 11 -14.850 10.305 -7.120 1.00 4.93 H new ATOM 0 HB3 GLU A 11 -14.733 9.181 -5.780 1.00 4.93 H new ATOM 0 HG2 GLU A 11 -16.720 9.860 -4.881 1.00 5.61 H new ATOM 0 HG3 GLU A 11 -16.331 11.558 -5.077 1.00 5.61 H new ATOM 159 N ASP A 12 -12.585 9.242 -4.584 1.00 3.32 N ATOM 160 CA ASP A 12 -11.488 8.516 -3.994 1.00 2.91 C ATOM 161 C ASP A 12 -11.099 9.124 -2.651 1.00 2.41 C ATOM 162 O ASP A 12 -10.315 10.064 -2.510 1.00 3.02 O ATOM 163 CB ASP A 12 -10.323 8.340 -4.950 1.00 3.81 C ATOM 164 CG ASP A 12 -9.299 7.359 -4.370 1.00 4.05 C ATOM 165 OD1 ASP A 12 -9.256 7.191 -3.128 1.00 4.55 O ATOM 166 OD2 ASP A 12 -8.588 6.730 -5.171 1.00 4.39 O ATOM 0 H ASP A 12 -13.456 8.713 -4.545 1.00 3.32 H new ATOM 0 HA ASP A 12 -11.827 7.500 -3.789 1.00 2.91 H new ATOM 0 HB2 ASP A 12 -10.685 7.972 -5.910 1.00 3.81 H new ATOM 0 HB3 ASP A 12 -9.848 9.303 -5.136 1.00 3.81 H new ATOM 171 N THR A 13 -11.653 8.519 -1.612 1.00 2.15 N ATOM 172 CA THR A 13 -11.065 8.499 -0.284 1.00 2.55 C ATOM 173 C THR A 13 -11.162 7.034 0.135 1.00 2.54 C ATOM 174 O THR A 13 -11.734 6.661 1.153 1.00 3.24 O ATOM 175 CB THR A 13 -11.828 9.502 0.574 1.00 3.10 C ATOM 176 OG1 THR A 13 -11.611 10.793 0.038 1.00 3.60 O ATOM 177 CG2 THR A 13 -11.397 9.578 2.040 1.00 4.11 C ATOM 0 H THR A 13 -12.540 8.019 -1.670 1.00 2.15 H new ATOM 0 HA THR A 13 -10.023 8.809 -0.201 1.00 2.55 H new ATOM 0 HB THR A 13 -12.864 9.165 0.556 1.00 3.10 H new ATOM 0 HG1 THR A 13 -12.095 11.455 0.574 1.00 3.60 H new ATOM 0 HG21 THR A 13 -12.003 10.321 2.559 1.00 4.11 H new ATOM 0 HG22 THR A 13 -11.534 8.604 2.511 1.00 4.11 H new ATOM 0 HG23 THR A 13 -10.346 9.863 2.096 1.00 4.11 H new ATOM 185 N GLU A 14 -10.666 6.204 -0.777 1.00 2.14 N ATOM 186 CA GLU A 14 -11.032 4.816 -0.968 1.00 2.09 C ATOM 187 C GLU A 14 -9.784 4.017 -1.327 1.00 1.81 C ATOM 188 O GLU A 14 -9.444 3.074 -0.616 1.00 2.22 O ATOM 189 CB GLU A 14 -12.066 4.735 -2.097 1.00 1.98 C ATOM 190 CG GLU A 14 -13.440 5.228 -1.631 1.00 2.46 C ATOM 191 CD GLU A 14 -14.350 5.501 -2.822 1.00 2.83 C ATOM 192 OE1 GLU A 14 -14.299 6.661 -3.297 1.00 3.59 O ATOM 193 OE2 GLU A 14 -15.066 4.560 -3.229 1.00 3.50 O ATOM 0 H GLU A 14 -9.954 6.508 -1.441 1.00 2.14 H new ATOM 0 HA GLU A 14 -11.463 4.402 -0.056 1.00 2.09 H new ATOM 0 HB2 GLU A 14 -11.731 5.334 -2.944 1.00 1.98 H new ATOM 0 HB3 GLU A 14 -12.146 3.706 -2.446 1.00 1.98 H new ATOM 0 HG2 GLU A 14 -13.898 4.482 -0.981 1.00 2.46 H new ATOM 0 HG3 GLU A 14 -13.324 6.137 -1.040 1.00 2.46 H new ATOM 200 N GLU A 15 -9.075 4.389 -2.398 1.00 1.27 N ATOM 201 CA GLU A 15 -7.876 3.686 -2.812 1.00 1.09 C ATOM 202 C GLU A 15 -6.752 4.694 -3.031 1.00 0.88 C ATOM 203 O GLU A 15 -6.317 4.993 -4.138 1.00 1.09 O ATOM 204 CB GLU A 15 -8.153 2.722 -3.974 1.00 1.17 C ATOM 205 CG GLU A 15 -8.858 3.290 -5.213 1.00 1.44 C ATOM 206 CD GLU A 15 -9.077 2.200 -6.274 1.00 1.83 C ATOM 207 OE1 GLU A 15 -8.509 1.094 -6.110 1.00 2.38 O ATOM 208 OE2 GLU A 15 -9.827 2.471 -7.237 1.00 2.51 O ATOM 0 H GLU A 15 -9.321 5.181 -2.992 1.00 1.27 H new ATOM 0 HA GLU A 15 -7.528 3.021 -2.021 1.00 1.09 H new ATOM 0 HB2 GLU A 15 -7.201 2.298 -4.293 1.00 1.17 H new ATOM 0 HB3 GLU A 15 -8.756 1.899 -3.592 1.00 1.17 H new ATOM 0 HG2 GLU A 15 -9.818 3.719 -4.924 1.00 1.44 H new ATOM 0 HG3 GLU A 15 -8.262 4.099 -5.636 1.00 1.44 H new ATOM 215 N LYS A 16 -6.216 5.176 -1.910 1.00 0.76 N ATOM 216 CA LYS A 16 -5.047 6.037 -1.884 1.00 0.75 C ATOM 217 C LYS A 16 -3.921 5.275 -1.203 1.00 0.73 C ATOM 218 O LYS A 16 -4.102 4.694 -0.134 1.00 0.89 O ATOM 219 CB LYS A 16 -5.330 7.388 -1.199 1.00 0.94 C ATOM 220 CG LYS A 16 -6.612 7.397 -0.364 1.00 1.34 C ATOM 221 CD LYS A 16 -6.764 8.670 0.476 1.00 1.29 C ATOM 222 CE LYS A 16 -6.899 9.882 -0.448 1.00 1.44 C ATOM 223 NZ LYS A 16 -7.214 11.127 0.282 1.00 1.91 N ATOM 0 H LYS A 16 -6.592 4.973 -0.984 1.00 0.76 H new ATOM 0 HA LYS A 16 -4.758 6.290 -2.904 1.00 0.75 H new ATOM 0 HB2 LYS A 16 -4.487 7.644 -0.557 1.00 0.94 H new ATOM 0 HB3 LYS A 16 -5.398 8.165 -1.961 1.00 0.94 H new ATOM 0 HG2 LYS A 16 -7.472 7.299 -1.026 1.00 1.34 H new ATOM 0 HG3 LYS A 16 -6.617 6.529 0.295 1.00 1.34 H new ATOM 0 HD2 LYS A 16 -7.641 8.591 1.119 1.00 1.29 H new ATOM 0 HD3 LYS A 16 -5.900 8.792 1.129 1.00 1.29 H new ATOM 0 HE2 LYS A 16 -5.970 10.016 -1.002 1.00 1.44 H new ATOM 0 HE3 LYS A 16 -7.682 9.688 -1.181 1.00 1.44 H new ATOM 0 HZ1 LYS A 16 -7.294 11.914 -0.393 1.00 1.91 H new ATOM 0 HZ2 LYS A 16 -8.115 11.013 0.790 1.00 1.91 H new ATOM 0 HZ3 LYS A 16 -6.456 11.331 0.964 1.00 1.91 H new ATOM 237 N CYS A 17 -2.749 5.306 -1.829 1.00 0.64 N ATOM 238 CA CYS A 17 -1.496 4.822 -1.291 1.00 0.63 C ATOM 239 C CYS A 17 -1.264 5.530 0.040 1.00 0.65 C ATOM 240 O CYS A 17 -0.964 6.723 0.047 1.00 0.82 O ATOM 241 CB CYS A 17 -0.421 5.247 -2.297 1.00 0.61 C ATOM 242 SG CYS A 17 1.226 4.612 -1.898 1.00 0.65 S ATOM 0 H CYS A 17 -2.649 5.689 -2.769 1.00 0.64 H new ATOM 0 HA CYS A 17 -1.484 3.743 -1.135 1.00 0.63 H new ATOM 0 HB2 CYS A 17 -0.706 4.900 -3.290 1.00 0.61 H new ATOM 0 HB3 CYS A 17 -0.383 6.336 -2.339 1.00 0.61 H new ATOM 247 N THR A 18 -1.358 4.821 1.167 1.00 0.55 N ATOM 248 CA THR A 18 -1.131 5.459 2.458 1.00 0.61 C ATOM 249 C THR A 18 0.321 5.906 2.621 1.00 0.56 C ATOM 250 O THR A 18 0.610 6.683 3.523 1.00 0.61 O ATOM 251 CB THR A 18 -1.574 4.563 3.619 1.00 0.68 C ATOM 252 OG1 THR A 18 -1.850 5.363 4.746 1.00 0.82 O ATOM 253 CG2 THR A 18 -0.504 3.547 4.007 1.00 0.68 C ATOM 0 H THR A 18 -1.585 3.827 1.210 1.00 0.55 H new ATOM 0 HA THR A 18 -1.751 6.355 2.484 1.00 0.61 H new ATOM 0 HB THR A 18 -2.460 4.021 3.289 1.00 0.68 H new ATOM 0 HG1 THR A 18 -1.180 6.075 4.813 1.00 0.82 H new ATOM 0 HG21 THR A 18 -0.865 2.936 4.834 1.00 0.68 H new ATOM 0 HG22 THR A 18 -0.283 2.907 3.153 1.00 0.68 H new ATOM 0 HG23 THR A 18 0.402 4.071 4.312 1.00 0.68 H new ATOM 261 N ILE A 19 1.238 5.386 1.802 1.00 0.50 N ATOM 262 CA ILE A 19 2.649 5.698 1.876 1.00 0.51 C ATOM 263 C ILE A 19 2.888 7.059 1.217 1.00 0.53 C ATOM 264 O ILE A 19 3.490 7.937 1.823 1.00 0.62 O ATOM 265 CB ILE A 19 3.418 4.546 1.220 1.00 0.45 C ATOM 266 CG1 ILE A 19 3.331 3.301 2.120 1.00 0.48 C ATOM 267 CG2 ILE A 19 4.875 4.928 0.983 1.00 0.47 C ATOM 268 CD1 ILE A 19 3.419 2.028 1.283 1.00 0.47 C ATOM 0 H ILE A 19 1.007 4.726 1.059 1.00 0.50 H new ATOM 0 HA ILE A 19 3.007 5.786 2.902 1.00 0.51 H new ATOM 0 HB ILE A 19 2.969 4.328 0.251 1.00 0.45 H new ATOM 0 HG12 ILE A 19 4.138 3.318 2.853 1.00 0.48 H new ATOM 0 HG13 ILE A 19 2.394 3.313 2.677 1.00 0.48 H new ATOM 0 HG21 ILE A 19 5.399 4.094 0.517 1.00 0.47 H new ATOM 0 HG22 ILE A 19 4.921 5.797 0.327 1.00 0.47 H new ATOM 0 HG23 ILE A 19 5.348 5.167 1.936 1.00 0.47 H new ATOM 0 HD11 ILE A 19 3.356 1.158 1.936 1.00 0.47 H new ATOM 0 HD12 ILE A 19 2.597 2.005 0.568 1.00 0.47 H new ATOM 0 HD13 ILE A 19 4.367 2.010 0.746 1.00 0.47 H new ATOM 280 N CYS A 20 2.396 7.248 -0.014 1.00 0.49 N ATOM 281 CA CYS A 20 2.465 8.547 -0.680 1.00 0.54 C ATOM 282 C CYS A 20 1.410 9.501 -0.110 1.00 0.52 C ATOM 283 O CYS A 20 1.396 10.673 -0.476 1.00 0.58 O ATOM 284 CB CYS A 20 2.152 8.400 -2.177 1.00 0.82 C ATOM 285 SG CYS A 20 3.322 7.310 -3.026 1.00 1.28 S ATOM 0 H CYS A 20 1.947 6.516 -0.565 1.00 0.49 H new ATOM 0 HA CYS A 20 3.471 8.935 -0.523 1.00 0.54 H new ATOM 0 HB2 CYS A 20 1.142 8.008 -2.297 1.00 0.82 H new ATOM 0 HB3 CYS A 20 2.170 9.383 -2.647 1.00 0.82 H new ATOM 290 N LEU A 21 0.462 8.992 0.685 1.00 0.54 N ATOM 291 CA LEU A 21 -0.771 9.674 1.055 1.00 0.60 C ATOM 292 C LEU A 21 -1.409 10.327 -0.169 1.00 0.62 C ATOM 293 O LEU A 21 -1.825 11.481 -0.129 1.00 0.76 O ATOM 294 CB LEU A 21 -0.493 10.662 2.192 1.00 0.66 C ATOM 295 CG LEU A 21 0.004 9.930 3.445 1.00 0.72 C ATOM 296 CD1 LEU A 21 0.610 10.945 4.402 1.00 0.84 C ATOM 297 CD2 LEU A 21 -1.142 9.184 4.133 1.00 0.77 C ATOM 0 H LEU A 21 0.540 8.063 1.099 1.00 0.54 H new ATOM 0 HA LEU A 21 -1.498 8.953 1.429 1.00 0.60 H new ATOM 0 HB2 LEU A 21 0.252 11.390 1.872 1.00 0.66 H new ATOM 0 HB3 LEU A 21 -1.401 11.217 2.427 1.00 0.66 H new ATOM 0 HG LEU A 21 0.756 9.197 3.153 1.00 0.72 H new ATOM 0 HD11 LEU A 21 0.966 10.434 5.296 1.00 0.84 H new ATOM 0 HD12 LEU A 21 1.445 11.450 3.916 1.00 0.84 H new ATOM 0 HD13 LEU A 21 -0.146 11.679 4.680 1.00 0.84 H new ATOM 0 HD21 LEU A 21 -0.764 8.673 5.019 1.00 0.77 H new ATOM 0 HD22 LEU A 21 -1.915 9.895 4.426 1.00 0.77 H new ATOM 0 HD23 LEU A 21 -1.565 8.452 3.445 1.00 0.77 H new ATOM 309 N SER A 22 -1.485 9.575 -1.268 1.00 0.60 N ATOM 310 CA SER A 22 -1.943 10.089 -2.549 1.00 0.63 C ATOM 311 C SER A 22 -2.872 9.073 -3.195 1.00 0.58 C ATOM 312 O SER A 22 -2.789 7.882 -2.908 1.00 0.58 O ATOM 313 CB SER A 22 -0.746 10.377 -3.456 1.00 0.69 C ATOM 314 OG SER A 22 0.033 11.433 -2.932 1.00 1.74 O ATOM 0 H SER A 22 -1.228 8.588 -1.289 1.00 0.60 H new ATOM 0 HA SER A 22 -2.487 11.021 -2.396 1.00 0.63 H new ATOM 0 HB2 SER A 22 -0.134 9.481 -3.555 1.00 0.69 H new ATOM 0 HB3 SER A 22 -1.095 10.636 -4.456 1.00 0.69 H new ATOM 0 HG SER A 22 0.460 11.143 -2.099 1.00 1.74 H new ATOM 320 N ILE A 23 -3.767 9.566 -4.046 1.00 0.63 N ATOM 321 CA ILE A 23 -4.755 8.806 -4.781 1.00 0.65 C ATOM 322 C ILE A 23 -4.039 7.835 -5.722 1.00 0.59 C ATOM 323 O ILE A 23 -2.929 8.124 -6.173 1.00 0.63 O ATOM 324 CB ILE A 23 -5.565 9.834 -5.596 1.00 0.95 C ATOM 325 CG1 ILE A 23 -6.210 10.949 -4.750 1.00 1.47 C ATOM 326 CG2 ILE A 23 -6.608 9.162 -6.477 1.00 0.86 C ATOM 327 CD1 ILE A 23 -7.156 10.409 -3.682 1.00 1.75 C ATOM 0 H ILE A 23 -3.819 10.564 -4.248 1.00 0.63 H new ATOM 0 HA ILE A 23 -5.403 8.228 -4.122 1.00 0.65 H new ATOM 0 HB ILE A 23 -4.828 10.324 -6.231 1.00 0.95 H new ATOM 0 HG12 ILE A 23 -5.426 11.535 -4.271 1.00 1.47 H new ATOM 0 HG13 ILE A 23 -6.758 11.625 -5.406 1.00 1.47 H new ATOM 0 HG21 ILE A 23 -7.157 9.921 -7.035 1.00 0.86 H new ATOM 0 HG22 ILE A 23 -6.114 8.486 -7.175 1.00 0.86 H new ATOM 0 HG23 ILE A 23 -7.301 8.597 -5.854 1.00 0.86 H new ATOM 0 HD11 ILE A 23 -7.580 11.240 -3.118 1.00 1.75 H new ATOM 0 HD12 ILE A 23 -7.959 9.846 -4.158 1.00 1.75 H new ATOM 0 HD13 ILE A 23 -6.606 9.755 -3.006 1.00 1.75 H new ATOM 339 N LEU A 24 -4.681 6.711 -6.034 1.00 0.59 N ATOM 340 CA LEU A 24 -4.294 5.820 -7.111 1.00 0.56 C ATOM 341 C LEU A 24 -5.241 6.012 -8.293 1.00 0.63 C ATOM 342 O LEU A 24 -6.183 6.792 -8.224 1.00 1.01 O ATOM 343 CB LEU A 24 -4.429 4.383 -6.612 1.00 0.58 C ATOM 344 CG LEU A 24 -3.610 4.145 -5.342 1.00 0.60 C ATOM 345 CD1 LEU A 24 -4.014 2.816 -4.759 1.00 0.67 C ATOM 346 CD2 LEU A 24 -2.128 4.109 -5.646 1.00 0.57 C ATOM 0 H LEU A 24 -5.507 6.392 -5.527 1.00 0.59 H new ATOM 0 HA LEU A 24 -3.270 6.031 -7.421 1.00 0.56 H new ATOM 0 HB2 LEU A 24 -5.478 4.164 -6.415 1.00 0.58 H new ATOM 0 HB3 LEU A 24 -4.100 3.695 -7.391 1.00 0.58 H new ATOM 0 HG LEU A 24 -3.801 4.959 -4.643 1.00 0.60 H new ATOM 0 HD11 LEU A 24 -3.441 2.627 -3.851 1.00 0.67 H new ATOM 0 HD12 LEU A 24 -5.077 2.832 -4.520 1.00 0.67 H new ATOM 0 HD13 LEU A 24 -3.817 2.026 -5.483 1.00 0.67 H new ATOM 0 HD21 LEU A 24 -1.572 3.938 -4.724 1.00 0.57 H new ATOM 0 HD22 LEU A 24 -1.920 3.303 -6.350 1.00 0.57 H new ATOM 0 HD23 LEU A 24 -1.823 5.060 -6.083 1.00 0.57 H new ATOM 358 N GLU A 25 -5.064 5.251 -9.364 1.00 0.70 N ATOM 359 CA GLU A 25 -6.060 5.224 -10.434 1.00 0.74 C ATOM 360 C GLU A 25 -6.379 3.799 -10.883 1.00 0.81 C ATOM 361 O GLU A 25 -5.671 2.844 -10.555 1.00 0.94 O ATOM 362 CB GLU A 25 -5.667 6.136 -11.608 1.00 0.71 C ATOM 363 CG GLU A 25 -4.518 5.575 -12.455 1.00 0.79 C ATOM 364 CD GLU A 25 -4.214 6.428 -13.693 1.00 0.93 C ATOM 365 OE1 GLU A 25 -3.377 5.974 -14.506 1.00 1.72 O ATOM 366 OE2 GLU A 25 -4.809 7.522 -13.822 1.00 1.63 O ATOM 0 H GLU A 25 -4.254 4.651 -9.518 1.00 0.70 H new ATOM 0 HA GLU A 25 -6.983 5.631 -10.021 1.00 0.74 H new ATOM 0 HB2 GLU A 25 -6.537 6.291 -12.246 1.00 0.71 H new ATOM 0 HB3 GLU A 25 -5.379 7.113 -11.219 1.00 0.71 H new ATOM 0 HG2 GLU A 25 -3.621 5.505 -11.840 1.00 0.79 H new ATOM 0 HG3 GLU A 25 -4.768 4.562 -12.771 1.00 0.79 H new ATOM 373 N GLU A 26 -7.472 3.653 -11.634 1.00 0.80 N ATOM 374 CA GLU A 26 -7.969 2.351 -12.037 1.00 0.82 C ATOM 375 C GLU A 26 -6.996 1.697 -13.016 1.00 0.81 C ATOM 376 O GLU A 26 -6.912 2.086 -14.178 1.00 0.98 O ATOM 377 CB GLU A 26 -9.379 2.490 -12.635 1.00 0.95 C ATOM 378 CG GLU A 26 -9.968 1.116 -12.993 1.00 1.02 C ATOM 379 CD GLU A 26 -11.402 1.192 -13.532 1.00 1.58 C ATOM 380 OE1 GLU A 26 -11.794 2.274 -14.023 1.00 2.75 O ATOM 381 OE2 GLU A 26 -12.086 0.146 -13.468 1.00 2.16 O ATOM 0 H GLU A 26 -8.031 4.435 -11.975 1.00 0.80 H new ATOM 0 HA GLU A 26 -8.042 1.702 -11.165 1.00 0.82 H new ATOM 0 HB2 GLU A 26 -10.031 2.994 -11.922 1.00 0.95 H new ATOM 0 HB3 GLU A 26 -9.339 3.115 -13.527 1.00 0.95 H new ATOM 0 HG2 GLU A 26 -9.332 0.639 -13.739 1.00 1.02 H new ATOM 0 HG3 GLU A 26 -9.953 0.480 -12.108 1.00 1.02 H new ATOM 388 N GLY A 27 -6.270 0.681 -12.547 1.00 0.92 N ATOM 389 CA GLY A 27 -5.352 -0.083 -13.379 1.00 1.10 C ATOM 390 C GLY A 27 -3.910 0.393 -13.238 1.00 0.96 C ATOM 391 O GLY A 27 -3.054 -0.031 -14.011 1.00 1.13 O ATOM 0 H GLY A 27 -6.305 0.368 -11.577 1.00 0.92 H new ATOM 0 HA2 GLY A 27 -5.412 -1.137 -13.109 1.00 1.10 H new ATOM 0 HA3 GLY A 27 -5.658 -0.003 -14.422 1.00 1.10 H new ATOM 395 N GLU A 28 -3.624 1.255 -12.261 1.00 0.85 N ATOM 396 CA GLU A 28 -2.271 1.672 -11.952 1.00 0.75 C ATOM 397 C GLU A 28 -1.479 0.487 -11.396 1.00 0.64 C ATOM 398 O GLU A 28 -2.042 -0.519 -10.960 1.00 0.66 O ATOM 399 CB GLU A 28 -2.352 2.805 -10.925 1.00 0.74 C ATOM 400 CG GLU A 28 -1.072 3.641 -10.803 1.00 0.98 C ATOM 401 CD GLU A 28 -1.241 4.781 -9.798 1.00 1.44 C ATOM 402 OE1 GLU A 28 -2.188 4.712 -8.986 1.00 2.46 O ATOM 403 OE2 GLU A 28 -0.375 5.685 -9.781 1.00 2.15 O ATOM 0 H GLU A 28 -4.333 1.681 -11.664 1.00 0.85 H new ATOM 0 HA GLU A 28 -1.759 2.024 -12.848 1.00 0.75 H new ATOM 0 HB2 GLU A 28 -3.178 3.464 -11.193 1.00 0.74 H new ATOM 0 HB3 GLU A 28 -2.588 2.379 -9.950 1.00 0.74 H new ATOM 0 HG2 GLU A 28 -0.246 3.001 -10.493 1.00 0.98 H new ATOM 0 HG3 GLU A 28 -0.809 4.050 -11.778 1.00 0.98 H new ATOM 410 N ASP A 29 -0.158 0.620 -11.362 1.00 0.62 N ATOM 411 CA ASP A 29 0.709 -0.344 -10.708 1.00 0.56 C ATOM 412 C ASP A 29 0.449 -0.293 -9.207 1.00 0.49 C ATOM 413 O ASP A 29 0.842 0.653 -8.519 1.00 0.52 O ATOM 414 CB ASP A 29 2.175 -0.021 -10.979 1.00 0.66 C ATOM 415 CG ASP A 29 2.528 -0.172 -12.452 1.00 1.42 C ATOM 416 OD1 ASP A 29 2.418 0.848 -13.168 1.00 2.34 O ATOM 417 OD2 ASP A 29 2.895 -1.305 -12.832 1.00 2.30 O ATOM 0 H ASP A 29 0.339 1.402 -11.789 1.00 0.62 H new ATOM 0 HA ASP A 29 0.497 -1.339 -11.099 1.00 0.56 H new ATOM 0 HB2 ASP A 29 2.387 0.999 -10.658 1.00 0.66 H new ATOM 0 HB3 ASP A 29 2.808 -0.680 -10.385 1.00 0.66 H new ATOM 422 N VAL A 30 -0.187 -1.331 -8.674 1.00 0.47 N ATOM 423 CA VAL A 30 -0.589 -1.400 -7.286 1.00 0.47 C ATOM 424 C VAL A 30 -0.226 -2.775 -6.752 1.00 0.48 C ATOM 425 O VAL A 30 0.323 -3.615 -7.472 1.00 0.73 O ATOM 426 CB VAL A 30 -2.088 -1.076 -7.121 1.00 0.59 C ATOM 427 CG1 VAL A 30 -2.380 0.372 -7.522 1.00 0.63 C ATOM 428 CG2 VAL A 30 -2.989 -2.022 -7.924 1.00 0.75 C ATOM 0 H VAL A 30 -0.439 -2.161 -9.211 1.00 0.47 H new ATOM 0 HA VAL A 30 -0.059 -0.646 -6.703 1.00 0.47 H new ATOM 0 HB VAL A 30 -2.317 -1.217 -6.065 1.00 0.59 H new ATOM 0 HG11 VAL A 30 -3.443 0.577 -7.397 1.00 0.63 H new ATOM 0 HG12 VAL A 30 -1.804 1.048 -6.890 1.00 0.63 H new ATOM 0 HG13 VAL A 30 -2.101 0.524 -8.565 1.00 0.63 H new ATOM 0 HG21 VAL A 30 -4.033 -1.748 -7.771 1.00 0.75 H new ATOM 0 HG22 VAL A 30 -2.745 -1.944 -8.984 1.00 0.75 H new ATOM 0 HG23 VAL A 30 -2.830 -3.047 -7.589 1.00 0.75 H new ATOM 438 N ARG A 31 -0.519 -3.004 -5.479 1.00 0.49 N ATOM 439 CA ARG A 31 -0.289 -4.254 -4.790 1.00 0.47 C ATOM 440 C ARG A 31 -1.358 -4.370 -3.716 1.00 0.50 C ATOM 441 O ARG A 31 -1.912 -3.359 -3.288 1.00 0.62 O ATOM 442 CB ARG A 31 1.104 -4.215 -4.144 1.00 0.62 C ATOM 443 CG ARG A 31 2.200 -4.894 -4.968 1.00 0.80 C ATOM 444 CD ARG A 31 2.165 -6.416 -4.807 1.00 1.12 C ATOM 445 NE ARG A 31 3.331 -7.038 -5.452 1.00 1.56 N ATOM 446 CZ ARG A 31 3.872 -8.218 -5.119 1.00 1.96 C ATOM 447 NH1 ARG A 31 4.985 -8.634 -5.725 1.00 2.86 N ATOM 448 NH2 ARG A 31 3.304 -8.979 -4.182 1.00 2.28 N ATOM 0 H ARG A 31 -0.939 -2.293 -4.880 1.00 0.49 H new ATOM 0 HA ARG A 31 -0.335 -5.105 -5.470 1.00 0.47 H new ATOM 0 HB2 ARG A 31 1.384 -3.175 -3.975 1.00 0.62 H new ATOM 0 HB3 ARG A 31 1.052 -4.694 -3.166 1.00 0.62 H new ATOM 0 HG2 ARG A 31 2.078 -4.636 -6.020 1.00 0.80 H new ATOM 0 HG3 ARG A 31 3.175 -4.517 -4.659 1.00 0.80 H new ATOM 0 HD2 ARG A 31 2.150 -6.674 -3.748 1.00 1.12 H new ATOM 0 HD3 ARG A 31 1.248 -6.811 -5.245 1.00 1.12 H new ATOM 0 HE ARG A 31 3.766 -6.527 -6.220 1.00 1.56 H new ATOM 0 HH11 ARG A 31 5.423 -8.054 -6.441 1.00 2.86 H new ATOM 0 HH12 ARG A 31 5.398 -9.532 -5.473 1.00 2.86 H new ATOM 0 HH21 ARG A 31 2.454 -8.664 -3.715 1.00 2.28 H new ATOM 0 HH22 ARG A 31 3.720 -9.876 -3.932 1.00 2.28 H new ATOM 462 N ARG A 32 -1.600 -5.589 -3.239 1.00 0.56 N ATOM 463 CA ARG A 32 -2.489 -5.865 -2.124 1.00 0.59 C ATOM 464 C ARG A 32 -1.643 -6.561 -1.070 1.00 0.56 C ATOM 465 O ARG A 32 -0.769 -7.352 -1.418 1.00 0.77 O ATOM 466 CB ARG A 32 -3.675 -6.721 -2.618 1.00 0.76 C ATOM 467 CG ARG A 32 -4.432 -7.496 -1.526 1.00 1.19 C ATOM 468 CD ARG A 32 -5.093 -6.594 -0.477 1.00 0.70 C ATOM 469 NE ARG A 32 -6.506 -6.310 -0.769 1.00 1.26 N ATOM 470 CZ ARG A 32 -7.549 -6.994 -0.276 1.00 1.74 C ATOM 471 NH1 ARG A 32 -8.793 -6.566 -0.491 1.00 2.23 N ATOM 472 NH2 ARG A 32 -7.352 -8.102 0.442 1.00 2.74 N ATOM 0 H ARG A 32 -1.171 -6.428 -3.629 1.00 0.56 H new ATOM 0 HA ARG A 32 -2.927 -4.965 -1.692 1.00 0.59 H new ATOM 0 HB2 ARG A 32 -4.381 -6.070 -3.133 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -3.304 -7.434 -3.354 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -5.197 -8.114 -1.996 1.00 1.19 H new ATOM 0 HG3 ARG A 32 -3.739 -8.172 -1.026 1.00 1.19 H new ATOM 0 HD2 ARG A 32 -5.019 -7.069 0.501 1.00 0.70 H new ATOM 0 HD3 ARG A 32 -4.544 -5.654 -0.417 1.00 0.70 H new ATOM 0 HE ARG A 32 -6.709 -5.531 -1.396 1.00 1.26 H new ATOM 0 HH11 ARG A 32 -8.954 -5.716 -1.032 1.00 2.23 H new ATOM 0 HH12 ARG A 32 -9.584 -7.088 -0.115 1.00 2.23 H new ATOM 0 HH21 ARG A 32 -6.404 -8.433 0.619 1.00 2.74 H new ATOM 0 HH22 ARG A 32 -8.150 -8.617 0.814 1.00 2.74 H new ATOM 486 N LEU A 33 -1.905 -6.264 0.202 1.00 0.50 N ATOM 487 CA LEU A 33 -1.213 -6.823 1.348 1.00 0.46 C ATOM 488 C LEU A 33 -2.242 -7.475 2.262 1.00 0.46 C ATOM 489 O LEU A 33 -3.418 -7.118 2.196 1.00 0.53 O ATOM 490 CB LEU A 33 -0.359 -5.743 2.039 1.00 0.45 C ATOM 491 CG LEU A 33 -0.940 -4.317 2.009 1.00 0.54 C ATOM 492 CD1 LEU A 33 -0.533 -3.602 3.296 1.00 0.62 C ATOM 493 CD2 LEU A 33 -0.418 -3.512 0.820 1.00 0.86 C ATOM 0 H LEU A 33 -2.634 -5.601 0.466 1.00 0.50 H new ATOM 0 HA LEU A 33 -0.509 -7.598 1.044 1.00 0.46 H new ATOM 0 HB2 LEU A 33 -0.209 -6.034 3.079 1.00 0.45 H new ATOM 0 HB3 LEU A 33 0.624 -5.726 1.568 1.00 0.45 H new ATOM 0 HG LEU A 33 -2.023 -4.393 1.917 1.00 0.54 H new ATOM 0 HD11 LEU A 33 -0.936 -2.589 3.293 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -0.926 -4.146 4.155 1.00 0.62 H new ATOM 0 HD13 LEU A 33 0.554 -3.560 3.360 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -0.853 -2.513 0.838 1.00 0.86 H new ATOM 0 HD22 LEU A 33 0.668 -3.436 0.881 1.00 0.86 H new ATOM 0 HD23 LEU A 33 -0.695 -4.012 -0.108 1.00 0.86 H new ATOM 505 N PRO A 34 -1.838 -8.467 3.071 1.00 0.43 N ATOM 506 CA PRO A 34 -2.768 -9.381 3.715 1.00 0.48 C ATOM 507 C PRO A 34 -3.641 -8.667 4.740 1.00 0.50 C ATOM 508 O PRO A 34 -4.822 -8.987 4.842 1.00 0.62 O ATOM 509 CB PRO A 34 -1.929 -10.506 4.317 1.00 0.56 C ATOM 510 CG PRO A 34 -0.546 -9.886 4.477 1.00 0.50 C ATOM 511 CD PRO A 34 -0.463 -8.831 3.374 1.00 0.42 C ATOM 0 HA PRO A 34 -3.476 -9.795 2.998 1.00 0.48 H new ATOM 0 HB2 PRO A 34 -2.332 -10.837 5.274 1.00 0.56 H new ATOM 0 HB3 PRO A 34 -1.903 -11.378 3.664 1.00 0.56 H new ATOM 0 HG2 PRO A 34 -0.425 -9.438 5.463 1.00 0.50 H new ATOM 0 HG3 PRO A 34 0.239 -10.635 4.368 1.00 0.50 H new ATOM 0 HD2 PRO A 34 0.108 -7.963 3.705 1.00 0.42 H new ATOM 0 HD3 PRO A 34 0.041 -9.226 2.492 1.00 0.42 H new ATOM 519 N CYS A 35 -3.125 -7.632 5.415 1.00 0.55 N ATOM 520 CA CYS A 35 -4.000 -6.672 6.071 1.00 0.62 C ATOM 521 C CYS A 35 -4.426 -5.659 5.003 1.00 0.84 C ATOM 522 O CYS A 35 -4.022 -4.482 5.043 1.00 1.65 O ATOM 523 CB CYS A 35 -3.297 -6.037 7.279 1.00 1.08 C ATOM 524 SG CYS A 35 -4.219 -4.568 7.825 1.00 1.89 S ATOM 0 H CYS A 35 -2.127 -7.446 5.516 1.00 0.55 H new ATOM 0 HA CYS A 35 -4.891 -7.145 6.483 1.00 0.62 H new ATOM 0 HB2 CYS A 35 -3.229 -6.759 8.093 1.00 1.08 H new ATOM 0 HB3 CYS A 35 -2.277 -5.760 7.013 1.00 1.08 H new ATOM 529 N MET A 36 -5.243 -6.169 4.076 1.00 0.60 N ATOM 530 CA MET A 36 -6.269 -5.574 3.246 1.00 0.69 C ATOM 531 C MET A 36 -6.081 -4.089 3.085 1.00 0.75 C ATOM 532 O MET A 36 -6.953 -3.287 3.405 1.00 1.28 O ATOM 533 CB MET A 36 -7.661 -5.929 3.778 1.00 0.81 C ATOM 534 CG MET A 36 -7.823 -7.450 3.862 1.00 1.86 C ATOM 535 SD MET A 36 -9.531 -8.032 3.707 1.00 2.59 S ATOM 536 CE MET A 36 -10.252 -7.261 5.180 1.00 3.52 C ATOM 0 H MET A 36 -5.179 -7.166 3.869 1.00 0.60 H new ATOM 0 HA MET A 36 -6.177 -5.997 2.245 1.00 0.69 H new ATOM 0 HB2 MET A 36 -7.806 -5.486 4.763 1.00 0.81 H new ATOM 0 HB3 MET A 36 -8.426 -5.510 3.124 1.00 0.81 H new ATOM 0 HG2 MET A 36 -7.223 -7.911 3.077 1.00 1.86 H new ATOM 0 HG3 MET A 36 -7.420 -7.794 4.815 1.00 1.86 H new ATOM 0 HE1 MET A 36 -11.301 -7.545 5.263 1.00 3.52 H new ATOM 0 HE2 MET A 36 -9.714 -7.597 6.067 1.00 3.52 H new ATOM 0 HE3 MET A 36 -10.175 -6.177 5.098 1.00 3.52 H new ATOM 546 N HIS A 37 -4.938 -3.743 2.513 1.00 0.62 N ATOM 547 CA HIS A 37 -4.733 -2.410 2.015 1.00 0.62 C ATOM 548 C HIS A 37 -4.113 -2.519 0.630 1.00 0.56 C ATOM 549 O HIS A 37 -3.632 -3.588 0.244 1.00 0.89 O ATOM 550 CB HIS A 37 -3.923 -1.587 3.021 1.00 0.83 C ATOM 551 CG HIS A 37 -4.749 -1.150 4.209 1.00 0.88 C ATOM 552 ND1 HIS A 37 -4.735 -1.710 5.490 1.00 1.13 N ATOM 553 CD2 HIS A 37 -5.644 -0.118 4.189 1.00 1.07 C ATOM 554 CE1 HIS A 37 -5.616 -1.005 6.209 1.00 1.45 C ATOM 555 NE2 HIS A 37 -6.181 -0.042 5.456 1.00 1.38 N ATOM 0 H HIS A 37 -4.145 -4.372 2.387 1.00 0.62 H new ATOM 0 HA HIS A 37 -5.671 -1.865 1.905 1.00 0.62 H new ATOM 0 HB2 HIS A 37 -3.075 -2.177 3.369 1.00 0.83 H new ATOM 0 HB3 HIS A 37 -3.516 -0.707 2.522 1.00 0.83 H new ATOM 0 HD2 HIS A 37 -5.884 0.514 3.346 1.00 1.07 H new ATOM 0 HE1 HIS A 37 -5.843 -1.184 7.250 1.00 1.45 H new ATOM 0 HE2 HIS A 37 -6.884 0.627 5.769 1.00 1.38 H new ATOM 563 N LEU A 38 -4.192 -1.437 -0.138 1.00 0.64 N ATOM 564 CA LEU A 38 -3.885 -1.433 -1.554 1.00 0.60 C ATOM 565 C LEU A 38 -3.036 -0.204 -1.811 1.00 0.62 C ATOM 566 O LEU A 38 -3.501 0.917 -1.623 1.00 0.73 O ATOM 567 CB LEU A 38 -5.195 -1.428 -2.349 1.00 0.75 C ATOM 568 CG LEU A 38 -5.010 -1.206 -3.858 1.00 1.02 C ATOM 569 CD1 LEU A 38 -5.617 -2.356 -4.664 1.00 1.65 C ATOM 570 CD2 LEU A 38 -5.723 0.083 -4.243 1.00 1.74 C ATOM 0 H LEU A 38 -4.477 -0.525 0.218 1.00 0.64 H new ATOM 0 HA LEU A 38 -3.332 -2.318 -1.869 1.00 0.60 H new ATOM 0 HB2 LEU A 38 -5.707 -2.377 -2.192 1.00 0.75 H new ATOM 0 HB3 LEU A 38 -5.845 -0.647 -1.954 1.00 0.75 H new ATOM 0 HG LEU A 38 -3.944 -1.152 -4.077 1.00 1.02 H new ATOM 0 HD11 LEU A 38 -5.471 -2.171 -5.728 1.00 1.65 H new ATOM 0 HD12 LEU A 38 -5.130 -3.291 -4.388 1.00 1.65 H new ATOM 0 HD13 LEU A 38 -6.684 -2.426 -4.451 1.00 1.65 H new ATOM 0 HD21 LEU A 38 -5.604 0.259 -5.312 1.00 1.74 H new ATOM 0 HD22 LEU A 38 -6.783 -0.003 -4.005 1.00 1.74 H new ATOM 0 HD23 LEU A 38 -5.293 0.916 -3.688 1.00 1.74 H new ATOM 582 N PHE A 39 -1.776 -0.425 -2.173 1.00 0.59 N ATOM 583 CA PHE A 39 -0.770 0.624 -2.295 1.00 0.65 C ATOM 584 C PHE A 39 -0.175 0.590 -3.698 1.00 0.64 C ATOM 585 O PHE A 39 -0.345 -0.401 -4.405 1.00 0.75 O ATOM 586 CB PHE A 39 0.319 0.379 -1.238 1.00 0.73 C ATOM 587 CG PHE A 39 -0.112 0.466 0.222 1.00 0.76 C ATOM 588 CD1 PHE A 39 -1.260 1.176 0.630 1.00 2.04 C ATOM 589 CD2 PHE A 39 0.653 -0.203 1.192 1.00 1.49 C ATOM 590 CE1 PHE A 39 -1.664 1.161 1.976 1.00 2.11 C ATOM 591 CE2 PHE A 39 0.265 -0.203 2.541 1.00 1.52 C ATOM 592 CZ PHE A 39 -0.908 0.461 2.933 1.00 0.99 C ATOM 0 H PHE A 39 -1.419 -1.355 -2.394 1.00 0.59 H new ATOM 0 HA PHE A 39 -1.216 1.605 -2.132 1.00 0.65 H new ATOM 0 HB2 PHE A 39 0.743 -0.610 -1.409 1.00 0.73 H new ATOM 0 HB3 PHE A 39 1.119 1.101 -1.400 1.00 0.73 H new ATOM 0 HD1 PHE A 39 -1.832 1.735 -0.096 1.00 2.04 H new ATOM 0 HD2 PHE A 39 1.551 -0.724 0.896 1.00 1.49 H new ATOM 0 HE1 PHE A 39 -2.557 1.688 2.276 1.00 2.11 H new ATOM 0 HE2 PHE A 39 0.869 -0.714 3.277 1.00 1.52 H new ATOM 0 HZ PHE A 39 -1.228 0.434 3.964 1.00 0.99 H new ATOM 602 N HIS A 40 0.556 1.636 -4.104 1.00 0.60 N ATOM 603 CA HIS A 40 1.346 1.544 -5.330 1.00 0.52 C ATOM 604 C HIS A 40 2.335 0.399 -5.184 1.00 0.44 C ATOM 605 O HIS A 40 2.884 0.197 -4.101 1.00 0.55 O ATOM 606 CB HIS A 40 2.196 2.787 -5.583 1.00 0.55 C ATOM 607 CG HIS A 40 1.467 4.041 -5.960 1.00 0.52 C ATOM 608 ND1 HIS A 40 1.516 5.226 -5.235 1.00 0.57 N ATOM 609 CD2 HIS A 40 0.793 4.244 -7.124 1.00 0.62 C ATOM 610 CE1 HIS A 40 0.849 6.131 -5.971 1.00 0.71 C ATOM 611 NE2 HIS A 40 0.404 5.564 -7.111 1.00 0.74 N ATOM 0 H HIS A 40 0.615 2.530 -3.616 1.00 0.60 H new ATOM 0 HA HIS A 40 0.637 1.412 -6.148 1.00 0.52 H new ATOM 0 HB2 HIS A 40 2.777 2.990 -4.683 1.00 0.55 H new ATOM 0 HB3 HIS A 40 2.907 2.556 -6.376 1.00 0.55 H new ATOM 0 HD2 HIS A 40 0.602 3.518 -7.900 1.00 0.62 H new ATOM 0 HE1 HIS A 40 0.692 7.162 -5.691 1.00 0.71 H new ATOM 0 HE2 HIS A 40 -0.131 6.035 -7.841 1.00 0.74 H new ATOM 619 N GLN A 41 2.634 -0.280 -6.288 1.00 0.37 N ATOM 620 CA GLN A 41 3.623 -1.342 -6.305 1.00 0.44 C ATOM 621 C GLN A 41 4.993 -0.798 -5.885 1.00 0.54 C ATOM 622 O GLN A 41 5.660 -1.391 -5.043 1.00 1.12 O ATOM 623 CB GLN A 41 3.625 -1.983 -7.698 1.00 0.54 C ATOM 624 CG GLN A 41 4.362 -3.327 -7.691 1.00 0.96 C ATOM 625 CD GLN A 41 3.988 -4.214 -8.878 1.00 0.95 C ATOM 626 OE1 GLN A 41 4.857 -4.749 -9.553 1.00 1.46 O ATOM 627 NE2 GLN A 41 2.703 -4.443 -9.123 1.00 1.05 N ATOM 0 H GLN A 41 2.196 -0.106 -7.192 1.00 0.37 H new ATOM 0 HA GLN A 41 3.375 -2.119 -5.582 1.00 0.44 H new ATOM 0 HB2 GLN A 41 2.599 -2.130 -8.034 1.00 0.54 H new ATOM 0 HB3 GLN A 41 4.100 -1.309 -8.410 1.00 0.54 H new ATOM 0 HG2 GLN A 41 5.437 -3.147 -7.703 1.00 0.96 H new ATOM 0 HG3 GLN A 41 4.137 -3.855 -6.764 1.00 0.96 H new ATOM 0 HE21 GLN A 41 1.987 -3.992 -8.554 1.00 1.05 H new ATOM 0 HE22 GLN A 41 2.432 -5.070 -9.880 1.00 1.05 H new ATOM 636 N VAL A 42 5.396 0.345 -6.447 1.00 0.53 N ATOM 637 CA VAL A 42 6.673 0.984 -6.139 1.00 0.52 C ATOM 638 C VAL A 42 6.758 1.322 -4.648 1.00 0.50 C ATOM 639 O VAL A 42 7.701 0.919 -3.971 1.00 0.51 O ATOM 640 CB VAL A 42 6.862 2.234 -7.017 1.00 0.55 C ATOM 641 CG1 VAL A 42 8.204 2.919 -6.734 1.00 0.75 C ATOM 642 CG2 VAL A 42 6.816 1.866 -8.506 1.00 0.72 C ATOM 0 H VAL A 42 4.839 0.855 -7.133 1.00 0.53 H new ATOM 0 HA VAL A 42 7.483 0.291 -6.363 1.00 0.52 H new ATOM 0 HB VAL A 42 6.047 2.916 -6.774 1.00 0.55 H new ATOM 0 HG11 VAL A 42 8.305 3.798 -7.371 1.00 0.75 H new ATOM 0 HG12 VAL A 42 8.244 3.222 -5.688 1.00 0.75 H new ATOM 0 HG13 VAL A 42 9.018 2.225 -6.942 1.00 0.75 H new ATOM 0 HG21 VAL A 42 6.952 2.765 -9.107 1.00 0.72 H new ATOM 0 HG22 VAL A 42 7.612 1.156 -8.730 1.00 0.72 H new ATOM 0 HG23 VAL A 42 5.851 1.415 -8.740 1.00 0.72 H new ATOM 652 N CYS A 43 5.787 2.074 -4.124 1.00 0.48 N ATOM 653 CA CYS A 43 5.849 2.541 -2.748 1.00 0.47 C ATOM 654 C CYS A 43 5.944 1.346 -1.803 1.00 0.40 C ATOM 655 O CYS A 43 6.719 1.365 -0.850 1.00 0.39 O ATOM 656 CB CYS A 43 4.586 3.341 -2.422 1.00 0.47 C ATOM 657 SG CYS A 43 4.426 4.751 -3.548 1.00 0.57 S ATOM 0 H CYS A 43 4.954 2.368 -4.634 1.00 0.48 H new ATOM 0 HA CYS A 43 6.727 3.174 -2.624 1.00 0.47 H new ATOM 0 HB2 CYS A 43 3.709 2.699 -2.506 1.00 0.47 H new ATOM 0 HB3 CYS A 43 4.626 3.693 -1.391 1.00 0.47 H new ATOM 662 N VAL A 44 5.126 0.315 -2.023 1.00 0.38 N ATOM 663 CA VAL A 44 5.097 -0.792 -1.097 1.00 0.35 C ATOM 664 C VAL A 44 6.289 -1.727 -1.269 1.00 0.32 C ATOM 665 O VAL A 44 6.580 -2.482 -0.352 1.00 0.32 O ATOM 666 CB VAL A 44 3.759 -1.511 -1.164 1.00 0.50 C ATOM 667 CG1 VAL A 44 3.688 -2.484 -2.323 1.00 0.56 C ATOM 668 CG2 VAL A 44 3.532 -2.300 0.116 1.00 0.61 C ATOM 0 H VAL A 44 4.493 0.233 -2.818 1.00 0.38 H new ATOM 0 HA VAL A 44 5.196 -0.389 -0.089 1.00 0.35 H new ATOM 0 HB VAL A 44 2.997 -0.744 -1.299 1.00 0.50 H new ATOM 0 HG11 VAL A 44 2.714 -2.973 -2.329 1.00 0.56 H new ATOM 0 HG12 VAL A 44 3.829 -1.945 -3.260 1.00 0.56 H new ATOM 0 HG13 VAL A 44 4.470 -3.235 -2.216 1.00 0.56 H new ATOM 0 HG21 VAL A 44 2.572 -2.813 0.062 1.00 0.61 H new ATOM 0 HG22 VAL A 44 4.329 -3.034 0.237 1.00 0.61 H new ATOM 0 HG23 VAL A 44 3.532 -1.620 0.968 1.00 0.61 H new ATOM 678 N ASP A 45 6.997 -1.696 -2.398 1.00 0.40 N ATOM 679 CA ASP A 45 8.296 -2.358 -2.468 1.00 0.46 C ATOM 680 C ASP A 45 9.176 -1.776 -1.367 1.00 0.39 C ATOM 681 O ASP A 45 9.618 -2.488 -0.470 1.00 0.41 O ATOM 682 CB ASP A 45 8.957 -2.181 -3.841 1.00 0.59 C ATOM 683 CG ASP A 45 10.438 -2.551 -3.778 1.00 1.28 C ATOM 684 OD1 ASP A 45 11.255 -1.611 -3.639 1.00 2.45 O ATOM 685 OD2 ASP A 45 10.727 -3.764 -3.848 1.00 2.15 O ATOM 0 H ASP A 45 6.701 -1.231 -3.256 1.00 0.40 H new ATOM 0 HA ASP A 45 8.163 -3.431 -2.327 1.00 0.46 H new ATOM 0 HB2 ASP A 45 8.452 -2.806 -4.577 1.00 0.59 H new ATOM 0 HB3 ASP A 45 8.849 -1.148 -4.172 1.00 0.59 H new ATOM 690 N GLN A 46 9.366 -0.459 -1.391 1.00 0.37 N ATOM 691 CA GLN A 46 10.189 0.216 -0.400 1.00 0.39 C ATOM 692 C GLN A 46 9.637 0.034 1.008 1.00 0.37 C ATOM 693 O GLN A 46 10.400 -0.054 1.967 1.00 0.43 O ATOM 694 CB GLN A 46 10.314 1.700 -0.759 1.00 0.52 C ATOM 695 CG GLN A 46 11.070 1.911 -2.076 1.00 0.69 C ATOM 696 CD GLN A 46 12.542 1.535 -1.951 1.00 1.41 C ATOM 697 OE1 GLN A 46 13.304 2.217 -1.277 1.00 2.07 O ATOM 698 NE2 GLN A 46 12.981 0.460 -2.589 1.00 2.70 N ATOM 0 H GLN A 46 8.958 0.161 -2.090 1.00 0.37 H new ATOM 0 HA GLN A 46 11.181 -0.235 -0.410 1.00 0.39 H new ATOM 0 HB2 GLN A 46 9.319 2.139 -0.838 1.00 0.52 H new ATOM 0 HB3 GLN A 46 10.831 2.225 0.044 1.00 0.52 H new ATOM 0 HG2 GLN A 46 10.607 1.312 -2.860 1.00 0.69 H new ATOM 0 HG3 GLN A 46 10.986 2.954 -2.380 1.00 0.69 H new ATOM 0 HE21 GLN A 46 12.337 -0.100 -3.147 1.00 2.70 H new ATOM 0 HE22 GLN A 46 13.963 0.193 -2.522 1.00 2.70 H new ATOM 707 N ALA A 47 8.321 -0.036 1.163 1.00 0.32 N ATOM 708 CA ALA A 47 7.735 -0.298 2.461 1.00 0.33 C ATOM 709 C ALA A 47 8.195 -1.657 2.982 1.00 0.32 C ATOM 710 O ALA A 47 8.766 -1.740 4.064 1.00 0.38 O ATOM 711 CB ALA A 47 6.220 -0.235 2.339 1.00 0.35 C ATOM 0 H ALA A 47 7.647 0.085 0.407 1.00 0.32 H new ATOM 0 HA ALA A 47 8.062 0.455 3.178 1.00 0.33 H new ATOM 0 HB1 ALA A 47 5.768 -0.431 3.311 1.00 0.35 H new ATOM 0 HB2 ALA A 47 5.924 0.756 1.994 1.00 0.35 H new ATOM 0 HB3 ALA A 47 5.881 -0.984 1.624 1.00 0.35 H new ATOM 717 N LEU A 48 7.954 -2.714 2.206 1.00 0.29 N ATOM 718 CA LEU A 48 8.258 -4.090 2.561 1.00 0.35 C ATOM 719 C LEU A 48 9.737 -4.220 2.901 1.00 0.44 C ATOM 720 O LEU A 48 10.076 -4.638 4.005 1.00 0.57 O ATOM 721 CB LEU A 48 7.815 -5.002 1.404 1.00 0.42 C ATOM 722 CG LEU A 48 7.893 -6.505 1.719 1.00 0.55 C ATOM 723 CD1 LEU A 48 6.924 -7.259 0.802 1.00 0.83 C ATOM 724 CD2 LEU A 48 9.292 -7.092 1.500 1.00 0.86 C ATOM 0 H LEU A 48 7.528 -2.627 1.284 1.00 0.29 H new ATOM 0 HA LEU A 48 7.712 -4.400 3.452 1.00 0.35 H new ATOM 0 HB2 LEU A 48 6.789 -4.752 1.132 1.00 0.42 H new ATOM 0 HB3 LEU A 48 8.436 -4.792 0.533 1.00 0.42 H new ATOM 0 HG LEU A 48 7.637 -6.619 2.772 1.00 0.55 H new ATOM 0 HD11 LEU A 48 6.973 -8.326 1.019 1.00 0.83 H new ATOM 0 HD12 LEU A 48 5.909 -6.901 0.972 1.00 0.83 H new ATOM 0 HD13 LEU A 48 7.200 -7.087 -0.238 1.00 0.83 H new ATOM 0 HD21 LEU A 48 9.282 -8.155 1.739 1.00 0.86 H new ATOM 0 HD22 LEU A 48 9.584 -6.957 0.459 1.00 0.86 H new ATOM 0 HD23 LEU A 48 10.006 -6.582 2.146 1.00 0.86 H new ATOM 736 N ILE A 49 10.621 -3.849 1.973 1.00 0.46 N ATOM 737 CA ILE A 49 12.060 -3.954 2.177 1.00 0.56 C ATOM 738 C ILE A 49 12.509 -3.152 3.399 1.00 0.60 C ATOM 739 O ILE A 49 13.509 -3.504 4.017 1.00 0.77 O ATOM 740 CB ILE A 49 12.844 -3.575 0.907 1.00 0.62 C ATOM 741 CG1 ILE A 49 12.784 -2.076 0.603 1.00 0.62 C ATOM 742 CG2 ILE A 49 12.401 -4.424 -0.293 1.00 0.63 C ATOM 743 CD1 ILE A 49 14.095 -1.389 0.987 1.00 0.78 C ATOM 0 H ILE A 49 10.357 -3.469 1.064 1.00 0.46 H new ATOM 0 HA ILE A 49 12.289 -5.000 2.382 1.00 0.56 H new ATOM 0 HB ILE A 49 13.892 -3.801 1.102 1.00 0.62 H new ATOM 0 HG12 ILE A 49 12.586 -1.924 -0.458 1.00 0.62 H new ATOM 0 HG13 ILE A 49 11.957 -1.623 1.150 1.00 0.62 H new ATOM 0 HG21 ILE A 49 12.972 -4.134 -1.175 1.00 0.63 H new ATOM 0 HG22 ILE A 49 12.577 -5.478 -0.078 1.00 0.63 H new ATOM 0 HG23 ILE A 49 11.339 -4.264 -0.480 1.00 0.63 H new ATOM 0 HD11 ILE A 49 14.028 -0.325 0.761 1.00 0.78 H new ATOM 0 HD12 ILE A 49 14.277 -1.523 2.053 1.00 0.78 H new ATOM 0 HD13 ILE A 49 14.916 -1.829 0.420 1.00 0.78 H new ATOM 755 N THR A 50 11.796 -2.081 3.766 1.00 0.54 N ATOM 756 CA THR A 50 12.119 -1.384 4.995 1.00 0.60 C ATOM 757 C THR A 50 11.725 -2.248 6.198 1.00 0.61 C ATOM 758 O THR A 50 12.544 -2.474 7.086 1.00 0.73 O ATOM 759 CB THR A 50 11.476 0.009 5.028 1.00 0.61 C ATOM 760 OG1 THR A 50 12.087 0.807 4.041 1.00 0.62 O ATOM 761 CG2 THR A 50 11.693 0.721 6.364 1.00 0.77 C ATOM 0 H THR A 50 11.013 -1.693 3.239 1.00 0.54 H new ATOM 0 HA THR A 50 13.195 -1.220 5.045 1.00 0.60 H new ATOM 0 HB THR A 50 10.407 -0.125 4.865 1.00 0.61 H new ATOM 0 HG1 THR A 50 11.630 0.675 3.184 1.00 0.62 H new ATOM 0 HG21 THR A 50 11.219 1.702 6.335 1.00 0.77 H new ATOM 0 HG22 THR A 50 11.254 0.129 7.167 1.00 0.77 H new ATOM 0 HG23 THR A 50 12.762 0.840 6.544 1.00 0.77 H new ATOM 769 N ASN A 51 10.471 -2.706 6.277 1.00 0.55 N ATOM 770 CA ASN A 51 9.979 -3.573 7.343 1.00 0.59 C ATOM 771 C ASN A 51 8.690 -4.242 6.848 1.00 0.56 C ATOM 772 O ASN A 51 7.743 -3.548 6.487 1.00 0.66 O ATOM 773 CB ASN A 51 9.710 -2.741 8.617 1.00 0.70 C ATOM 774 CG ASN A 51 10.489 -3.236 9.835 1.00 1.56 C ATOM 775 OD1 ASN A 51 9.917 -3.504 10.888 1.00 2.28 O ATOM 776 ND2 ASN A 51 11.803 -3.349 9.737 1.00 2.50 N ATOM 0 H ASN A 51 9.758 -2.477 5.585 1.00 0.55 H new ATOM 0 HA ASN A 51 10.719 -4.334 7.593 1.00 0.59 H new ATOM 0 HB2 ASN A 51 9.971 -1.700 8.425 1.00 0.70 H new ATOM 0 HB3 ASN A 51 8.644 -2.766 8.841 1.00 0.70 H new ATOM 0 HD21 ASN A 51 12.349 -3.661 10.540 1.00 2.50 H new ATOM 0 HD22 ASN A 51 12.270 -3.124 8.859 1.00 2.50 H new ATOM 783 N LYS A 52 8.620 -5.577 6.837 1.00 0.52 N ATOM 784 CA LYS A 52 7.476 -6.306 6.284 1.00 0.48 C ATOM 785 C LYS A 52 6.275 -6.256 7.219 1.00 0.52 C ATOM 786 O LYS A 52 5.981 -7.217 7.917 1.00 1.34 O ATOM 787 CB LYS A 52 7.874 -7.763 5.987 1.00 0.53 C ATOM 788 CG LYS A 52 9.014 -7.823 4.961 1.00 1.74 C ATOM 789 CD LYS A 52 10.278 -8.493 5.503 1.00 1.77 C ATOM 790 CE LYS A 52 10.074 -10.003 5.417 1.00 2.50 C ATOM 791 NZ LYS A 52 11.253 -10.781 5.834 1.00 3.24 N ATOM 0 H LYS A 52 9.353 -6.180 7.210 1.00 0.52 H new ATOM 0 HA LYS A 52 7.183 -5.821 5.353 1.00 0.48 H new ATOM 0 HB2 LYS A 52 8.184 -8.254 6.909 1.00 0.53 H new ATOM 0 HB3 LYS A 52 7.010 -8.310 5.609 1.00 0.53 H new ATOM 0 HG2 LYS A 52 8.673 -8.366 4.079 1.00 1.74 H new ATOM 0 HG3 LYS A 52 9.257 -6.811 4.638 1.00 1.74 H new ATOM 0 HD2 LYS A 52 11.150 -8.191 4.923 1.00 1.77 H new ATOM 0 HD3 LYS A 52 10.460 -8.189 6.534 1.00 1.77 H new ATOM 0 HE2 LYS A 52 9.225 -10.283 6.041 1.00 2.50 H new ATOM 0 HE3 LYS A 52 9.817 -10.269 4.392 1.00 2.50 H new ATOM 0 HZ1 LYS A 52 11.223 -11.722 5.391 1.00 3.24 H new ATOM 0 HZ2 LYS A 52 12.118 -10.286 5.537 1.00 3.24 H new ATOM 0 HZ3 LYS A 52 11.252 -10.885 6.869 1.00 3.24 H new ATOM 805 N LYS A 53 5.523 -5.160 7.201 1.00 0.77 N ATOM 806 CA LYS A 53 4.231 -5.088 7.864 1.00 0.89 C ATOM 807 C LYS A 53 3.439 -3.961 7.229 1.00 0.99 C ATOM 808 O LYS A 53 4.020 -2.988 6.752 1.00 1.23 O ATOM 809 CB LYS A 53 4.372 -4.931 9.386 1.00 1.15 C ATOM 810 CG LYS A 53 5.475 -3.961 9.816 1.00 1.75 C ATOM 811 CD LYS A 53 5.814 -4.140 11.299 1.00 2.08 C ATOM 812 CE LYS A 53 7.227 -3.583 11.456 1.00 2.83 C ATOM 813 NZ LYS A 53 7.873 -3.938 12.732 1.00 3.38 N ATOM 0 H LYS A 53 5.794 -4.299 6.726 1.00 0.77 H new ATOM 0 HA LYS A 53 3.691 -6.025 7.728 1.00 0.89 H new ATOM 0 HB2 LYS A 53 3.422 -4.587 9.794 1.00 1.15 H new ATOM 0 HB3 LYS A 53 4.572 -5.909 9.824 1.00 1.15 H new ATOM 0 HG2 LYS A 53 6.367 -4.128 9.212 1.00 1.75 H new ATOM 0 HG3 LYS A 53 5.154 -2.935 9.634 1.00 1.75 H new ATOM 0 HD2 LYS A 53 5.107 -3.604 11.932 1.00 2.08 H new ATOM 0 HD3 LYS A 53 5.770 -5.190 11.589 1.00 2.08 H new ATOM 0 HE2 LYS A 53 7.844 -3.948 10.635 1.00 2.83 H new ATOM 0 HE3 LYS A 53 7.190 -2.497 11.369 1.00 2.83 H new ATOM 0 HZ1 LYS A 53 8.906 -3.931 12.612 1.00 3.38 H new ATOM 0 HZ2 LYS A 53 7.605 -3.247 13.461 1.00 3.38 H new ATOM 0 HZ3 LYS A 53 7.565 -4.887 13.025 1.00 3.38 H new ATOM 827 N CYS A 54 2.117 -4.106 7.206 1.00 0.90 N ATOM 828 CA CYS A 54 1.212 -3.041 6.828 1.00 0.92 C ATOM 829 C CYS A 54 1.501 -1.927 7.843 1.00 0.89 C ATOM 830 O CYS A 54 1.454 -2.199 9.041 1.00 0.93 O ATOM 831 CB CYS A 54 -0.211 -3.606 6.969 1.00 0.88 C ATOM 832 SG CYS A 54 -1.508 -2.393 6.562 1.00 1.05 S ATOM 0 H CYS A 54 1.646 -4.977 7.453 1.00 0.90 H new ATOM 0 HA CYS A 54 1.324 -2.663 5.812 1.00 0.92 H new ATOM 0 HB2 CYS A 54 -0.317 -4.474 6.318 1.00 0.88 H new ATOM 0 HB3 CYS A 54 -0.357 -3.955 7.991 1.00 0.88 H new ATOM 837 N PRO A 55 1.874 -0.711 7.422 1.00 0.91 N ATOM 838 CA PRO A 55 2.497 0.250 8.319 1.00 1.04 C ATOM 839 C PRO A 55 1.527 0.686 9.413 1.00 1.19 C ATOM 840 O PRO A 55 1.883 0.714 10.587 1.00 2.19 O ATOM 841 CB PRO A 55 2.971 1.404 7.430 1.00 1.22 C ATOM 842 CG PRO A 55 2.127 1.273 6.161 1.00 1.19 C ATOM 843 CD PRO A 55 1.885 -0.232 6.056 1.00 1.04 C ATOM 0 HA PRO A 55 3.344 -0.175 8.858 1.00 1.04 H new ATOM 0 HB2 PRO A 55 2.816 2.369 7.913 1.00 1.22 H new ATOM 0 HB3 PRO A 55 4.036 1.325 7.210 1.00 1.22 H new ATOM 0 HG2 PRO A 55 1.191 1.827 6.241 1.00 1.19 H new ATOM 0 HG3 PRO A 55 2.652 1.658 5.287 1.00 1.19 H new ATOM 0 HD2 PRO A 55 0.940 -0.445 5.556 1.00 1.04 H new ATOM 0 HD3 PRO A 55 2.669 -0.717 5.475 1.00 1.04 H new ATOM 851 N ILE A 56 0.294 1.017 9.029 1.00 1.14 N ATOM 852 CA ILE A 56 -0.756 1.356 9.976 1.00 1.22 C ATOM 853 C ILE A 56 -1.144 0.122 10.792 1.00 1.31 C ATOM 854 O ILE A 56 -1.338 0.220 12.001 1.00 2.41 O ATOM 855 CB ILE A 56 -1.947 1.963 9.198 1.00 1.45 C ATOM 856 CG1 ILE A 56 -1.523 3.332 8.595 1.00 2.20 C ATOM 857 CG2 ILE A 56 -3.219 2.095 10.055 1.00 2.17 C ATOM 858 CD1 ILE A 56 -2.061 4.783 8.556 1.00 3.02 C ATOM 0 H ILE A 56 0.000 1.056 8.053 1.00 1.14 H new ATOM 0 HA ILE A 56 -0.409 2.102 10.691 1.00 1.22 H new ATOM 0 HB ILE A 56 -2.206 1.275 8.393 1.00 1.45 H new ATOM 0 HG12 ILE A 56 -0.520 3.465 9.001 1.00 2.20 H new ATOM 0 HG13 ILE A 56 -1.410 3.096 7.537 1.00 2.20 H new ATOM 0 HG21 ILE A 56 -4.019 2.527 9.454 1.00 2.17 H new ATOM 0 HG22 ILE A 56 -3.523 1.110 10.410 1.00 2.17 H new ATOM 0 HG23 ILE A 56 -3.017 2.742 10.909 1.00 2.17 H new ATOM 0 HD11 ILE A 56 -1.377 5.409 7.983 1.00 3.02 H new ATOM 0 HD12 ILE A 56 -3.044 4.794 8.086 1.00 3.02 H new ATOM 0 HD13 ILE A 56 -2.141 5.169 9.572 1.00 3.02 H new ATOM 870 N CYS A 57 -1.310 -1.031 10.140 1.00 1.06 N ATOM 871 CA CYS A 57 -2.010 -2.150 10.757 1.00 1.02 C ATOM 872 C CYS A 57 -1.092 -2.961 11.677 1.00 1.10 C ATOM 873 O CYS A 57 -1.574 -3.768 12.468 1.00 2.10 O ATOM 874 CB CYS A 57 -2.571 -3.091 9.679 1.00 1.00 C ATOM 875 SG CYS A 57 -2.838 -2.278 8.057 1.00 1.27 S ATOM 0 H CYS A 57 -0.972 -1.210 9.194 1.00 1.06 H new ATOM 0 HA CYS A 57 -2.820 -1.727 11.351 1.00 1.02 H new ATOM 0 HB2 CYS A 57 -1.885 -3.928 9.547 1.00 1.00 H new ATOM 0 HB3 CYS A 57 -3.517 -3.506 10.028 1.00 1.00 H new ATOM 880 N ARG A 58 0.228 -2.844 11.513 1.00 0.99 N ATOM 881 CA ARG A 58 1.262 -3.581 12.242 1.00 0.93 C ATOM 882 C ARG A 58 1.381 -5.060 11.846 1.00 0.95 C ATOM 883 O ARG A 58 2.434 -5.647 12.082 1.00 1.58 O ATOM 884 CB ARG A 58 1.080 -3.394 13.757 1.00 1.10 C ATOM 885 CG ARG A 58 2.416 -3.463 14.503 1.00 1.15 C ATOM 886 CD ARG A 58 2.174 -3.270 16.003 1.00 1.61 C ATOM 887 NE ARG A 58 3.433 -3.055 16.733 1.00 1.96 N ATOM 888 CZ ARG A 58 3.534 -2.919 18.062 1.00 2.70 C ATOM 889 NH1 ARG A 58 4.717 -2.657 18.620 1.00 3.41 N ATOM 890 NH2 ARG A 58 2.451 -3.041 18.829 1.00 3.28 N ATOM 0 H ARG A 58 0.625 -2.198 10.831 1.00 0.99 H new ATOM 0 HA ARG A 58 2.218 -3.148 11.948 1.00 0.93 H new ATOM 0 HB2 ARG A 58 0.605 -2.432 13.950 1.00 1.10 H new ATOM 0 HB3 ARG A 58 0.409 -4.163 14.140 1.00 1.10 H new ATOM 0 HG2 ARG A 58 2.896 -4.425 14.322 1.00 1.15 H new ATOM 0 HG3 ARG A 58 3.093 -2.694 14.131 1.00 1.15 H new ATOM 0 HD2 ARG A 58 1.513 -2.417 16.158 1.00 1.61 H new ATOM 0 HD3 ARG A 58 1.665 -4.146 16.405 1.00 1.61 H new ATOM 0 HE ARG A 58 4.293 -3.006 16.187 1.00 1.96 H new ATOM 0 HH11 ARG A 58 5.547 -2.560 18.035 1.00 3.41 H new ATOM 0 HH12 ARG A 58 4.792 -2.554 19.632 1.00 3.41 H new ATOM 0 HH21 ARG A 58 1.545 -3.238 18.404 1.00 3.28 H new ATOM 0 HH22 ARG A 58 2.528 -2.937 19.841 1.00 3.28 H new ATOM 904 N VAL A 59 0.342 -5.671 11.271 1.00 0.72 N ATOM 905 CA VAL A 59 0.351 -7.068 10.845 1.00 0.66 C ATOM 906 C VAL A 59 1.444 -7.274 9.795 1.00 0.61 C ATOM 907 O VAL A 59 1.654 -6.412 8.943 1.00 0.61 O ATOM 908 CB VAL A 59 -1.027 -7.462 10.279 1.00 0.66 C ATOM 909 CG1 VAL A 59 -1.129 -8.975 10.045 1.00 1.26 C ATOM 910 CG2 VAL A 59 -2.175 -7.069 11.220 1.00 1.39 C ATOM 0 H VAL A 59 -0.543 -5.199 11.086 1.00 0.72 H new ATOM 0 HA VAL A 59 0.560 -7.706 11.704 1.00 0.66 H new ATOM 0 HB VAL A 59 -1.118 -6.922 9.337 1.00 0.66 H new ATOM 0 HG11 VAL A 59 -2.114 -9.216 9.646 1.00 1.26 H new ATOM 0 HG12 VAL A 59 -0.363 -9.286 9.334 1.00 1.26 H new ATOM 0 HG13 VAL A 59 -0.982 -9.500 10.989 1.00 1.26 H new ATOM 0 HG21 VAL A 59 -3.126 -7.367 10.778 1.00 1.39 H new ATOM 0 HG22 VAL A 59 -2.047 -7.571 12.179 1.00 1.39 H new ATOM 0 HG23 VAL A 59 -2.168 -5.990 11.372 1.00 1.39 H new ATOM 920 N ASP A 60 2.129 -8.416 9.848 1.00 0.61 N ATOM 921 CA ASP A 60 3.162 -8.778 8.883 1.00 0.58 C ATOM 922 C ASP A 60 2.525 -9.004 7.506 1.00 0.57 C ATOM 923 O ASP A 60 1.326 -9.273 7.414 1.00 0.71 O ATOM 924 CB ASP A 60 3.903 -10.029 9.375 1.00 0.67 C ATOM 925 CG ASP A 60 5.299 -10.172 8.757 1.00 0.86 C ATOM 926 OD1 ASP A 60 5.397 -10.141 7.510 1.00 1.54 O ATOM 927 OD2 ASP A 60 6.253 -10.314 9.553 1.00 2.01 O ATOM 0 H ASP A 60 1.980 -9.121 10.570 1.00 0.61 H new ATOM 0 HA ASP A 60 3.887 -7.970 8.788 1.00 0.58 H new ATOM 0 HB2 ASP A 60 3.993 -9.989 10.461 1.00 0.67 H new ATOM 0 HB3 ASP A 60 3.312 -10.913 9.136 1.00 0.67 H new ATOM 932 N ILE A 61 3.304 -8.889 6.430 1.00 0.44 N ATOM 933 CA ILE A 61 2.824 -9.057 5.069 1.00 0.45 C ATOM 934 C ILE A 61 3.594 -10.072 4.230 1.00 0.52 C ATOM 935 O ILE A 61 3.154 -10.374 3.123 1.00 0.59 O ATOM 936 CB ILE A 61 2.830 -7.716 4.355 1.00 0.39 C ATOM 937 CG1 ILE A 61 4.264 -7.194 4.215 1.00 0.42 C ATOM 938 CG2 ILE A 61 1.954 -6.715 5.103 1.00 0.38 C ATOM 939 CD1 ILE A 61 4.247 -5.933 3.378 1.00 0.38 C ATOM 0 H ILE A 61 4.299 -8.673 6.486 1.00 0.44 H new ATOM 0 HA ILE A 61 1.815 -9.457 5.169 1.00 0.45 H new ATOM 0 HB ILE A 61 2.418 -7.847 3.354 1.00 0.39 H new ATOM 0 HG12 ILE A 61 4.688 -6.988 5.198 1.00 0.42 H new ATOM 0 HG13 ILE A 61 4.896 -7.949 3.747 1.00 0.42 H new ATOM 0 HG21 ILE A 61 1.967 -5.758 4.581 1.00 0.38 H new ATOM 0 HG22 ILE A 61 0.931 -7.089 5.149 1.00 0.38 H new ATOM 0 HG23 ILE A 61 2.337 -6.581 6.115 1.00 0.38 H new ATOM 0 HD11 ILE A 61 5.263 -5.553 3.272 1.00 0.38 H new ATOM 0 HD12 ILE A 61 3.838 -6.156 2.392 1.00 0.38 H new ATOM 0 HD13 ILE A 61 3.627 -5.181 3.866 1.00 0.38 H new ATOM 951 N GLU A 62 4.745 -10.547 4.703 1.00 0.57 N ATOM 952 CA GLU A 62 5.539 -11.591 4.058 1.00 0.70 C ATOM 953 C GLU A 62 4.695 -12.859 3.856 1.00 0.80 C ATOM 954 O GLU A 62 4.649 -13.763 4.689 1.00 1.48 O ATOM 955 CB GLU A 62 6.815 -11.843 4.874 1.00 0.72 C ATOM 956 CG GLU A 62 7.732 -12.879 4.208 1.00 1.14 C ATOM 957 CD GLU A 62 9.159 -12.775 4.748 1.00 1.30 C ATOM 958 OE1 GLU A 62 9.353 -12.805 5.982 1.00 2.17 O ATOM 959 OE2 GLU A 62 10.081 -12.508 3.947 1.00 2.34 O ATOM 0 H GLU A 62 5.162 -10.207 5.569 1.00 0.57 H new ATOM 0 HA GLU A 62 5.848 -11.266 3.064 1.00 0.70 H new ATOM 0 HB2 GLU A 62 7.357 -10.905 4.997 1.00 0.72 H new ATOM 0 HB3 GLU A 62 6.544 -12.188 5.872 1.00 0.72 H new ATOM 0 HG2 GLU A 62 7.344 -13.882 4.387 1.00 1.14 H new ATOM 0 HG3 GLU A 62 7.736 -12.726 3.129 1.00 1.14 H new ATOM 966 N ALA A 63 3.967 -12.905 2.742 1.00 1.60 N ATOM 967 CA ALA A 63 2.904 -13.866 2.552 1.00 1.95 C ATOM 968 C ALA A 63 3.472 -15.219 2.137 1.00 2.39 C ATOM 969 O ALA A 63 3.802 -15.422 0.971 1.00 3.33 O ATOM 970 CB ALA A 63 1.922 -13.332 1.504 1.00 2.58 C ATOM 0 H ALA A 63 4.104 -12.274 1.952 1.00 1.60 H new ATOM 0 HA ALA A 63 2.372 -14.010 3.492 1.00 1.95 H new ATOM 0 HB1 ALA A 63 1.118 -14.054 1.357 1.00 2.58 H new ATOM 0 HB2 ALA A 63 1.502 -12.386 1.847 1.00 2.58 H new ATOM 0 HB3 ALA A 63 2.446 -13.176 0.561 1.00 2.58 H new ATOM 976 N GLN A 64 3.510 -16.158 3.084 1.00 2.69 N ATOM 977 CA GLN A 64 3.775 -17.570 2.834 1.00 3.63 C ATOM 978 C GLN A 64 5.059 -17.777 2.021 1.00 3.86 C ATOM 979 O GLN A 64 5.067 -18.480 1.010 1.00 4.56 O ATOM 980 CB GLN A 64 2.540 -18.202 2.172 1.00 4.62 C ATOM 981 CG GLN A 64 2.598 -19.738 2.153 1.00 5.50 C ATOM 982 CD GLN A 64 2.172 -20.303 0.801 1.00 6.20 C ATOM 983 OE1 GLN A 64 1.136 -20.944 0.678 1.00 6.97 O ATOM 984 NE2 GLN A 64 2.966 -20.071 -0.236 1.00 6.47 N ATOM 0 H GLN A 64 3.353 -15.949 4.070 1.00 2.69 H new ATOM 0 HA GLN A 64 3.953 -18.077 3.782 1.00 3.63 H new ATOM 0 HB2 GLN A 64 1.644 -17.883 2.705 1.00 4.62 H new ATOM 0 HB3 GLN A 64 2.452 -17.833 1.150 1.00 4.62 H new ATOM 0 HG2 GLN A 64 3.612 -20.067 2.381 1.00 5.50 H new ATOM 0 HG3 GLN A 64 1.950 -20.136 2.934 1.00 5.50 H new ATOM 0 HE21 GLN A 64 3.824 -19.535 -0.111 1.00 6.47 H new ATOM 0 HE22 GLN A 64 2.718 -20.429 -1.158 1.00 6.47 H new ATOM 993 N LEU A 65 6.166 -17.227 2.515 1.00 3.99 N ATOM 994 CA LEU A 65 7.504 -17.534 2.033 1.00 4.67 C ATOM 995 C LEU A 65 8.346 -17.680 3.303 1.00 5.32 C ATOM 996 O LEU A 65 8.120 -16.914 4.237 1.00 5.89 O ATOM 997 CB LEU A 65 7.965 -16.419 1.079 1.00 5.15 C ATOM 998 CG LEU A 65 8.671 -16.949 -0.178 1.00 5.98 C ATOM 999 CD1 LEU A 65 7.763 -17.825 -1.050 1.00 6.67 C ATOM 1000 CD2 LEU A 65 9.134 -15.764 -1.029 1.00 6.85 C ATOM 0 H LEU A 65 6.155 -16.545 3.273 1.00 3.99 H new ATOM 0 HA LEU A 65 7.580 -18.448 1.445 1.00 4.67 H new ATOM 0 HB2 LEU A 65 7.101 -15.826 0.779 1.00 5.15 H new ATOM 0 HB3 LEU A 65 8.641 -15.750 1.612 1.00 5.15 H new ATOM 0 HG LEU A 65 9.506 -17.560 0.163 1.00 5.98 H new ATOM 0 HD11 LEU A 65 8.318 -18.169 -1.923 1.00 6.67 H new ATOM 0 HD12 LEU A 65 7.424 -18.685 -0.473 1.00 6.67 H new ATOM 0 HD13 LEU A 65 6.900 -17.244 -1.375 1.00 6.67 H new ATOM 0 HD21 LEU A 65 9.636 -16.133 -1.923 1.00 6.85 H new ATOM 0 HD22 LEU A 65 8.271 -15.165 -1.319 1.00 6.85 H new ATOM 0 HD23 LEU A 65 9.825 -15.150 -0.452 1.00 6.85 H new ATOM 1012 N PRO A 66 9.191 -18.713 3.445 1.00 5.96 N ATOM 1013 CA PRO A 66 9.756 -19.577 2.411 1.00 6.80 C ATOM 1014 C PRO A 66 11.028 -19.002 1.772 1.00 7.12 C ATOM 1015 O PRO A 66 11.679 -19.705 1.001 1.00 7.74 O ATOM 1016 CB PRO A 66 10.097 -20.897 3.121 1.00 7.87 C ATOM 1017 CG PRO A 66 9.265 -20.853 4.398 1.00 7.94 C ATOM 1018 CD PRO A 66 9.321 -19.367 4.733 1.00 6.75 C ATOM 0 HA PRO A 66 9.040 -19.693 1.598 1.00 6.80 H new ATOM 0 HB2 PRO A 66 9.839 -21.759 2.506 1.00 7.87 H new ATOM 0 HB3 PRO A 66 11.162 -20.969 3.341 1.00 7.87 H new ATOM 0 HG2 PRO A 66 8.245 -21.201 4.237 1.00 7.94 H new ATOM 0 HG3 PRO A 66 9.691 -21.470 5.189 1.00 7.94 H new ATOM 0 HD2 PRO A 66 8.516 -19.080 5.410 1.00 6.75 H new ATOM 0 HD3 PRO A 66 10.259 -19.103 5.222 1.00 6.75 H new ATOM 1026 N SER A 67 11.403 -17.752 2.063 1.00 7.12 N ATOM 1027 CA SER A 67 12.637 -17.147 1.571 1.00 7.72 C ATOM 1028 C SER A 67 13.068 -16.050 2.551 1.00 7.80 C ATOM 1029 O SER A 67 12.881 -16.215 3.754 1.00 8.08 O ATOM 1030 CB SER A 67 12.452 -16.602 0.146 1.00 8.36 C ATOM 1031 OG SER A 67 11.952 -17.577 -0.746 1.00 9.04 O ATOM 0 H SER A 67 10.851 -17.129 2.652 1.00 7.12 H new ATOM 0 HA SER A 67 13.423 -17.900 1.515 1.00 7.72 H new ATOM 0 HB2 SER A 67 11.769 -15.753 0.171 1.00 8.36 H new ATOM 0 HB3 SER A 67 13.408 -16.231 -0.225 1.00 8.36 H new ATOM 0 HG SER A 67 11.850 -17.183 -1.638 1.00 9.04 H new ATOM 1037 N GLU A 68 13.647 -14.951 2.059 1.00 7.97 N ATOM 1038 CA GLU A 68 14.226 -13.882 2.857 1.00 8.30 C ATOM 1039 C GLU A 68 13.840 -12.545 2.222 1.00 8.31 C ATOM 1040 O GLU A 68 13.206 -12.519 1.166 1.00 8.41 O ATOM 1041 CB GLU A 68 15.755 -14.042 2.884 1.00 8.80 C ATOM 1042 CG GLU A 68 16.197 -15.216 3.763 1.00 9.30 C ATOM 1043 CD GLU A 68 17.709 -15.425 3.673 1.00 10.13 C ATOM 1044 OE1 GLU A 68 18.439 -14.610 4.279 1.00 10.72 O ATOM 1045 OE2 GLU A 68 18.115 -16.396 2.996 1.00 10.52 O ATOM 0 H GLU A 68 13.725 -14.781 1.056 1.00 7.97 H new ATOM 0 HA GLU A 68 13.854 -13.920 3.881 1.00 8.30 H new ATOM 0 HB2 GLU A 68 16.121 -14.192 1.868 1.00 8.80 H new ATOM 0 HB3 GLU A 68 16.209 -13.122 3.253 1.00 8.80 H new ATOM 0 HG2 GLU A 68 15.913 -15.028 4.798 1.00 9.30 H new ATOM 0 HG3 GLU A 68 15.681 -16.124 3.451 1.00 9.30 H new ATOM 1052 N SER A 69 14.242 -11.442 2.855 1.00 8.56 N ATOM 1053 CA SER A 69 13.883 -10.091 2.466 1.00 8.82 C ATOM 1054 C SER A 69 14.139 -9.202 3.676 1.00 9.13 C ATOM 1055 O SER A 69 15.180 -8.510 3.668 1.00 9.47 O ATOM 1056 CB SER A 69 14.692 -9.666 1.233 1.00 8.99 C ATOM 1057 OG SER A 69 16.077 -9.825 1.463 1.00 9.32 O ATOM 1058 OXT SER A 69 13.344 -9.321 4.632 1.00 9.51 O ATOM 0 H SER A 69 14.845 -11.473 3.677 1.00 8.56 H new ATOM 0 HA SER A 69 12.835 -10.013 2.178 1.00 8.82 H new ATOM 0 HB2 SER A 69 14.391 -10.262 0.372 1.00 8.99 H new ATOM 0 HB3 SER A 69 14.476 -8.625 0.992 1.00 8.99 H new ATOM 0 HG SER A 69 16.313 -9.426 2.326 1.00 9.32 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 2.469 5.464 -3.394 1.00 0.66 ZN HETATM 1066 ZN ZN A 102 -3.496 -3.267 6.211 1.00 1.34 ZN