USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -110:sc= 1.41 USER MOD Set 1.2: A 65 TYR OH : rot 175:sc= 2.07 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -128:sc= 0.859 (180deg=-0.0233) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0962 (180deg=0) USER MOD Single : A 2 MET CE :methyl -170:sc= 0 (180deg=-0.115) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0145) USER MOD Single : A 6 THR OG1 : rot -150:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.13) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 19 THR OG1 : rot -63:sc= 0.861 USER MOD Single : A 20 GLN : amide:sc= -0.729 K(o=-0.73,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -37:sc= 0.0232 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0458 (180deg=-0.298) USER MOD Single : A 39 ASN : amide:sc= -0.054 K(o=-0.054,f=-0.87) USER MOD Single : A 41 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.96!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.65) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -10:sc= 0.558 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 0.0512 (180deg=-1.33!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.25 X(o=0.25,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.635 5.226 15.953 1.00 0.00 N ATOM 2 CA GLY A 1 15.416 4.326 15.094 1.00 0.00 C ATOM 3 C GLY A 1 15.467 4.826 13.658 1.00 0.00 C ATOM 4 O GLY A 1 15.149 5.988 13.386 1.00 0.00 O ATOM 0 H1 GLY A 1 15.176 5.439 16.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.437 6.110 15.441 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.738 4.768 16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.430 4.238 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.977 3.328 15.117 1.00 0.00 H new ATOM 8 N MET A 2 15.863 3.954 12.725 1.00 0.00 N ATOM 9 CA MET A 2 16.088 4.322 11.321 1.00 0.00 C ATOM 10 C MET A 2 15.417 3.384 10.318 1.00 0.00 C ATOM 11 O MET A 2 15.731 3.437 9.138 1.00 0.00 O ATOM 12 CB MET A 2 17.588 4.488 11.060 1.00 0.00 C ATOM 13 CG MET A 2 18.353 3.160 11.061 1.00 0.00 C ATOM 14 SD MET A 2 19.900 3.212 11.996 1.00 0.00 S ATOM 15 CE MET A 2 20.753 4.540 11.102 1.00 0.00 C ATOM 0 H MET A 2 16.038 2.969 12.922 1.00 0.00 H new ATOM 0 HA MET A 2 15.597 5.281 11.157 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.730 4.981 10.098 1.00 0.00 H new ATOM 0 HB3 MET A 2 18.012 5.144 11.820 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.713 2.383 11.478 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.571 2.876 10.032 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.792 4.589 11.428 1.00 0.00 H new ATOM 0 HE2 MET A 2 20.717 4.339 10.031 1.00 0.00 H new ATOM 0 HE3 MET A 2 20.263 5.491 11.309 1.00 0.00 H new ATOM 25 N VAL A 3 14.509 2.520 10.762 1.00 0.00 N ATOM 26 CA VAL A 3 13.680 1.700 9.885 1.00 0.00 C ATOM 27 C VAL A 3 12.692 2.602 9.145 1.00 0.00 C ATOM 28 O VAL A 3 11.718 3.075 9.731 1.00 0.00 O ATOM 29 CB VAL A 3 13.059 0.530 10.680 1.00 0.00 C ATOM 30 CG1 VAL A 3 12.479 0.913 12.053 1.00 0.00 C ATOM 31 CG2 VAL A 3 12.015 -0.254 9.876 1.00 0.00 C ATOM 0 H VAL A 3 14.326 2.368 11.754 1.00 0.00 H new ATOM 0 HA VAL A 3 14.270 1.215 9.108 1.00 0.00 H new ATOM 0 HB VAL A 3 13.915 -0.116 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.067 0.026 12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.268 1.331 12.678 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.691 1.654 11.921 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.616 -1.062 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.205 0.414 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.481 -0.671 8.984 1.00 0.00 H new ATOM 41 N LYS A 4 12.972 2.906 7.877 1.00 0.00 N ATOM 42 CA LYS A 4 12.019 3.495 6.945 1.00 0.00 C ATOM 43 C LYS A 4 12.118 2.821 5.576 1.00 0.00 C ATOM 44 O LYS A 4 11.814 3.452 4.561 1.00 0.00 O ATOM 45 CB LYS A 4 12.127 5.029 6.893 1.00 0.00 C ATOM 46 CG LYS A 4 13.476 5.593 6.435 1.00 0.00 C ATOM 47 CD LYS A 4 14.489 5.750 7.585 1.00 0.00 C ATOM 48 CE LYS A 4 14.780 7.213 7.924 1.00 0.00 C ATOM 49 NZ LYS A 4 15.552 7.871 6.857 1.00 0.00 N ATOM 0 H LYS A 4 13.890 2.744 7.463 1.00 0.00 H new ATOM 0 HA LYS A 4 11.012 3.301 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.353 5.405 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.910 5.422 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.898 4.936 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.316 6.563 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.106 5.246 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.420 5.253 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.841 7.746 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.334 7.267 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.863 8.809 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.384 7.292 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.955 7.977 6.012 1.00 0.00 H new ATOM 63 N GLU A 5 12.521 1.555 5.511 1.00 0.00 N ATOM 64 CA GLU A 5 12.423 0.759 4.299 1.00 0.00 C ATOM 65 C GLU A 5 11.616 -0.492 4.622 1.00 0.00 C ATOM 66 O GLU A 5 11.920 -1.210 5.573 1.00 0.00 O ATOM 67 CB GLU A 5 13.807 0.468 3.693 1.00 0.00 C ATOM 68 CG GLU A 5 14.808 -0.278 4.594 1.00 0.00 C ATOM 69 CD GLU A 5 16.138 -0.587 3.892 1.00 0.00 C ATOM 70 OE1 GLU A 5 16.420 -0.075 2.784 1.00 0.00 O ATOM 71 OE2 GLU A 5 16.883 -1.466 4.382 1.00 0.00 O ATOM 0 H GLU A 5 12.926 1.054 6.302 1.00 0.00 H new ATOM 0 HA GLU A 5 11.900 1.312 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.665 -0.116 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.256 1.416 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.004 0.322 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.357 -1.211 4.932 1.00 0.00 H new ATOM 78 N THR A 6 10.558 -0.735 3.854 1.00 0.00 N ATOM 79 CA THR A 6 9.796 -1.970 3.869 1.00 0.00 C ATOM 80 C THR A 6 9.164 -2.165 2.495 1.00 0.00 C ATOM 81 O THR A 6 9.145 -1.252 1.663 1.00 0.00 O ATOM 82 CB THR A 6 8.698 -1.954 4.955 1.00 0.00 C ATOM 83 OG1 THR A 6 8.630 -0.743 5.674 1.00 0.00 O ATOM 84 CG2 THR A 6 8.896 -3.121 5.923 1.00 0.00 C ATOM 0 H THR A 6 10.200 -0.054 3.185 1.00 0.00 H new ATOM 0 HA THR A 6 10.470 -2.794 4.103 1.00 0.00 H new ATOM 0 HB THR A 6 7.749 -2.056 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.311 -0.920 6.583 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.116 -3.099 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.842 -4.062 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.872 -3.036 6.401 1.00 0.00 H new ATOM 92 N THR A 7 8.615 -3.350 2.268 1.00 0.00 N ATOM 93 CA THR A 7 7.795 -3.609 1.112 1.00 0.00 C ATOM 94 C THR A 7 6.404 -3.001 1.314 1.00 0.00 C ATOM 95 O THR A 7 6.049 -2.454 2.362 1.00 0.00 O ATOM 96 CB THR A 7 7.784 -5.119 0.823 1.00 0.00 C ATOM 97 OG1 THR A 7 7.340 -5.376 -0.492 1.00 0.00 O ATOM 98 CG2 THR A 7 6.947 -5.926 1.817 1.00 0.00 C ATOM 0 H THR A 7 8.731 -4.154 2.885 1.00 0.00 H new ATOM 0 HA THR A 7 8.207 -3.127 0.225 1.00 0.00 H new ATOM 0 HB THR A 7 8.817 -5.448 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.457 -5.800 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.985 -6.982 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.345 -5.790 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.913 -5.581 1.786 1.00 0.00 H new ATOM 106 N TYR A 8 5.604 -3.177 0.273 1.00 0.00 N ATOM 107 CA TYR A 8 4.286 -2.606 0.049 1.00 0.00 C ATOM 108 C TYR A 8 3.244 -2.951 1.115 1.00 0.00 C ATOM 109 O TYR A 8 2.246 -2.248 1.243 1.00 0.00 O ATOM 110 CB TYR A 8 3.889 -3.014 -1.376 1.00 0.00 C ATOM 111 CG TYR A 8 4.800 -2.468 -2.480 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.600 -1.319 -2.261 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.808 -3.094 -3.748 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.389 -0.789 -3.291 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.603 -2.570 -4.788 1.00 0.00 C ATOM 116 CZ TYR A 8 6.383 -1.409 -4.558 1.00 0.00 C ATOM 117 OH TYR A 8 7.136 -0.837 -5.535 1.00 0.00 O ATOM 0 H TYR A 8 5.886 -3.775 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 8 4.327 -1.521 0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.880 -4.102 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.870 -2.675 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.602 -0.847 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.205 -3.973 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.996 0.087 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.618 -3.051 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 8 7.050 -1.357 -6.361 1.00 0.00 H new ATOM 127 N TYR A 9 3.501 -3.962 1.935 1.00 0.00 N ATOM 128 CA TYR A 9 2.707 -4.275 3.105 1.00 0.00 C ATOM 129 C TYR A 9 2.814 -3.170 4.158 1.00 0.00 C ATOM 130 O TYR A 9 1.826 -2.490 4.428 1.00 0.00 O ATOM 131 CB TYR A 9 3.119 -5.672 3.586 1.00 0.00 C ATOM 132 CG TYR A 9 2.624 -6.743 2.635 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.242 -6.934 2.484 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.513 -7.537 1.887 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.755 -7.851 1.543 1.00 0.00 C ATOM 136 CE2 TYR A 9 3.025 -8.457 0.942 1.00 0.00 C ATOM 137 CZ TYR A 9 1.637 -8.599 0.736 1.00 0.00 C ATOM 138 OH TYR A 9 1.141 -9.430 -0.225 1.00 0.00 O ATOM 0 H TYR A 9 4.286 -4.599 1.798 1.00 0.00 H new ATOM 0 HA TYR A 9 1.643 -4.308 2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.205 -5.727 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.715 -5.851 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.551 -6.372 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.578 -7.439 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.311 -7.987 1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.717 -9.058 0.371 1.00 0.00 H new ATOM 0 HH TYR A 9 1.882 -9.870 -0.692 1.00 0.00 H new ATOM 148 N ASP A 10 3.997 -2.945 4.734 1.00 0.00 N ATOM 149 CA ASP A 10 4.148 -1.986 5.838 1.00 0.00 C ATOM 150 C ASP A 10 3.908 -0.550 5.367 1.00 0.00 C ATOM 151 O ASP A 10 3.519 0.294 6.177 1.00 0.00 O ATOM 152 CB ASP A 10 5.532 -2.088 6.498 1.00 0.00 C ATOM 153 CG ASP A 10 5.451 -2.412 7.997 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.133 -3.573 8.347 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.730 -1.503 8.822 1.00 0.00 O ATOM 0 H ASP A 10 4.862 -3.410 4.458 1.00 0.00 H new ATOM 0 HA ASP A 10 3.392 -2.245 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.114 -2.860 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.065 -1.147 6.362 1.00 0.00 H new ATOM 160 N VAL A 11 4.060 -0.267 4.063 1.00 0.00 N ATOM 161 CA VAL A 11 3.685 1.020 3.479 1.00 0.00 C ATOM 162 C VAL A 11 2.216 1.288 3.794 1.00 0.00 C ATOM 163 O VAL A 11 1.847 2.381 4.228 1.00 0.00 O ATOM 164 CB VAL A 11 3.956 1.035 1.955 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.382 2.292 1.280 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.453 0.966 1.630 1.00 0.00 C ATOM 0 H VAL A 11 4.447 -0.927 3.389 1.00 0.00 H new ATOM 0 HA VAL A 11 4.292 1.815 3.912 1.00 0.00 H new ATOM 0 HB VAL A 11 3.458 0.147 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.595 2.261 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.304 2.327 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.840 3.180 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.592 0.979 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.961 1.823 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.872 0.046 2.038 1.00 0.00 H new ATOM 176 N LEU A 12 1.360 0.284 3.617 1.00 0.00 N ATOM 177 CA LEU A 12 -0.072 0.358 3.864 1.00 0.00 C ATOM 178 C LEU A 12 -0.391 0.115 5.344 1.00 0.00 C ATOM 179 O LEU A 12 -1.549 -0.124 5.709 1.00 0.00 O ATOM 180 CB LEU A 12 -0.774 -0.648 2.938 1.00 0.00 C ATOM 181 CG LEU A 12 -0.531 -0.334 1.447 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.034 -1.492 0.594 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.249 0.954 1.035 1.00 0.00 C ATOM 0 H LEU A 12 1.658 -0.634 3.286 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.442 1.359 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.416 -1.654 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.845 -0.639 3.140 1.00 0.00 H new ATOM 0 HG LEU A 12 0.539 -0.197 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.862 -1.270 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.499 -2.402 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.101 -1.634 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.062 1.153 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.321 0.841 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.876 1.786 1.633 1.00 0.00 H new ATOM 195 N GLY A 13 0.626 0.174 6.205 1.00 0.00 N ATOM 196 CA GLY A 13 0.518 -0.010 7.633 1.00 0.00 C ATOM 197 C GLY A 13 -0.041 -1.381 7.967 1.00 0.00 C ATOM 198 O GLY A 13 -0.797 -1.486 8.937 1.00 0.00 O ATOM 0 H GLY A 13 1.582 0.360 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.499 0.108 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.127 0.761 8.054 1.00 0.00 H new ATOM 202 N VAL A 14 0.233 -2.407 7.154 1.00 0.00 N ATOM 203 CA VAL A 14 -0.360 -3.720 7.331 1.00 0.00 C ATOM 204 C VAL A 14 0.744 -4.767 7.310 1.00 0.00 C ATOM 205 O VAL A 14 1.751 -4.620 6.622 1.00 0.00 O ATOM 206 CB VAL A 14 -1.508 -3.919 6.319 1.00 0.00 C ATOM 207 CG1 VAL A 14 -1.089 -4.438 4.927 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.601 -4.794 6.946 1.00 0.00 C ATOM 0 H VAL A 14 0.871 -2.343 6.360 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.840 -3.828 8.304 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.896 -2.922 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.972 -4.541 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.396 -3.732 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.602 -5.408 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.411 -4.933 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.182 -5.764 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.988 -4.307 7.841 1.00 0.00 H new ATOM 218 N LYS A 15 0.564 -5.832 8.092 1.00 0.00 N ATOM 219 CA LYS A 15 1.557 -6.889 8.185 1.00 0.00 C ATOM 220 C LYS A 15 1.761 -7.570 6.826 1.00 0.00 C ATOM 221 O LYS A 15 0.794 -7.736 6.084 1.00 0.00 O ATOM 222 CB LYS A 15 1.225 -7.884 9.310 1.00 0.00 C ATOM 223 CG LYS A 15 -0.253 -8.180 9.616 1.00 0.00 C ATOM 224 CD LYS A 15 -1.071 -8.654 8.413 1.00 0.00 C ATOM 225 CE LYS A 15 -2.472 -9.198 8.749 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.444 -10.608 9.197 1.00 0.00 N ATOM 0 H LYS A 15 -0.264 -5.981 8.669 1.00 0.00 H new ATOM 0 HA LYS A 15 2.511 -6.436 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.710 -8.830 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.685 -7.514 10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.304 -8.940 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.714 -7.279 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.179 -7.823 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.510 -9.433 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.919 -8.582 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.111 -9.113 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.413 -10.929 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.027 -11.201 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.871 -10.686 10.062 1.00 0.00 H new ATOM 240 N PRO A 16 2.960 -8.102 6.535 1.00 0.00 N ATOM 241 CA PRO A 16 3.226 -8.874 5.322 1.00 0.00 C ATOM 242 C PRO A 16 2.506 -10.234 5.326 1.00 0.00 C ATOM 243 O PRO A 16 2.424 -10.922 4.303 1.00 0.00 O ATOM 244 CB PRO A 16 4.756 -8.971 5.258 1.00 0.00 C ATOM 245 CG PRO A 16 5.167 -8.964 6.727 1.00 0.00 C ATOM 246 CD PRO A 16 4.151 -8.018 7.361 1.00 0.00 C ATOM 0 HA PRO A 16 2.832 -8.398 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.081 -9.881 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.190 -8.132 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.119 -9.961 7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.188 -8.607 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.935 -8.309 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.534 -6.998 7.392 1.00 0.00 H new ATOM 254 N ASN A 17 1.912 -10.604 6.464 1.00 0.00 N ATOM 255 CA ASN A 17 1.119 -11.811 6.674 1.00 0.00 C ATOM 256 C ASN A 17 -0.372 -11.548 6.422 1.00 0.00 C ATOM 257 O ASN A 17 -1.229 -12.111 7.109 1.00 0.00 O ATOM 258 CB ASN A 17 1.422 -12.357 8.082 1.00 0.00 C ATOM 259 CG ASN A 17 2.850 -12.881 8.233 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.589 -13.051 7.259 1.00 0.00 O ATOM 261 ND2 ASN A 17 3.275 -13.121 9.459 1.00 0.00 N ATOM 0 H ASN A 17 1.977 -10.035 7.308 1.00 0.00 H new ATOM 0 HA ASN A 17 1.395 -12.579 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.253 -11.568 8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.722 -13.160 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.227 -13.452 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.651 -12.975 10.253 1.00 0.00 H new ATOM 268 N ALA A 18 -0.686 -10.601 5.532 1.00 0.00 N ATOM 269 CA ALA A 18 -2.039 -10.176 5.199 1.00 0.00 C ATOM 270 C ALA A 18 -2.682 -11.061 4.126 1.00 0.00 C ATOM 271 O ALA A 18 -2.026 -11.921 3.531 1.00 0.00 O ATOM 272 CB ALA A 18 -1.980 -8.731 4.698 1.00 0.00 C ATOM 0 H ALA A 18 0.026 -10.094 5.007 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.653 -10.260 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.984 -8.393 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.570 -8.091 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.344 -8.678 3.814 1.00 0.00 H new ATOM 278 N THR A 19 -3.946 -10.775 3.828 1.00 0.00 N ATOM 279 CA THR A 19 -4.704 -11.260 2.690 1.00 0.00 C ATOM 280 C THR A 19 -5.129 -10.104 1.790 1.00 0.00 C ATOM 281 O THR A 19 -5.214 -8.959 2.224 1.00 0.00 O ATOM 282 CB THR A 19 -5.917 -12.070 3.170 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.552 -11.497 4.284 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.511 -13.484 3.543 1.00 0.00 C ATOM 0 H THR A 19 -4.501 -10.156 4.418 1.00 0.00 H new ATOM 0 HA THR A 19 -4.067 -11.918 2.099 1.00 0.00 H new ATOM 0 HB THR A 19 -6.615 -12.074 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.935 -11.490 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.388 -14.037 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.081 -13.980 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.773 -13.451 4.344 1.00 0.00 H new ATOM 292 N GLN A 20 -5.453 -10.392 0.532 1.00 0.00 N ATOM 293 CA GLN A 20 -5.858 -9.379 -0.435 1.00 0.00 C ATOM 294 C GLN A 20 -7.129 -8.633 0.015 1.00 0.00 C ATOM 295 O GLN A 20 -7.316 -7.458 -0.308 1.00 0.00 O ATOM 296 CB GLN A 20 -6.058 -10.050 -1.799 1.00 0.00 C ATOM 297 CG GLN A 20 -4.802 -10.794 -2.303 1.00 0.00 C ATOM 298 CD GLN A 20 -4.253 -10.218 -3.598 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.105 -10.909 -4.595 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.873 -8.951 -3.582 1.00 0.00 N ATOM 0 H GLN A 20 -5.441 -11.339 0.154 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.072 -8.627 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.887 -10.755 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.342 -9.293 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.029 -10.752 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.045 -11.846 -2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.005 -8.390 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.448 -8.535 -4.411 1.00 0.00 H new ATOM 309 N GLU A 21 -7.986 -9.282 0.804 1.00 0.00 N ATOM 310 CA GLU A 21 -9.191 -8.676 1.354 1.00 0.00 C ATOM 311 C GLU A 21 -8.871 -7.721 2.504 1.00 0.00 C ATOM 312 O GLU A 21 -9.526 -6.687 2.663 1.00 0.00 O ATOM 313 CB GLU A 21 -10.128 -9.773 1.860 1.00 0.00 C ATOM 314 CG GLU A 21 -10.460 -10.765 0.753 1.00 0.00 C ATOM 315 CD GLU A 21 -11.701 -11.562 1.108 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.801 -10.982 0.972 1.00 0.00 O ATOM 317 OE2 GLU A 21 -11.547 -12.720 1.548 1.00 0.00 O ATOM 0 H GLU A 21 -7.858 -10.255 1.080 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.668 -8.103 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.662 -10.297 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.047 -9.325 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.619 -10.233 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.619 -11.441 0.598 1.00 0.00 H new ATOM 324 N GLU A 22 -7.854 -8.058 3.298 1.00 0.00 N ATOM 325 CA GLU A 22 -7.319 -7.197 4.337 1.00 0.00 C ATOM 326 C GLU A 22 -6.637 -5.992 3.698 1.00 0.00 C ATOM 327 O GLU A 22 -6.710 -4.898 4.254 1.00 0.00 O ATOM 328 CB GLU A 22 -6.315 -7.959 5.212 1.00 0.00 C ATOM 329 CG GLU A 22 -6.986 -8.992 6.109 1.00 0.00 C ATOM 330 CD GLU A 22 -5.928 -9.749 6.910 1.00 0.00 C ATOM 331 OE1 GLU A 22 -5.142 -10.523 6.323 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.865 -9.579 8.150 1.00 0.00 O ATOM 0 H GLU A 22 -7.374 -8.956 3.230 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.141 -6.861 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.586 -8.457 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.765 -7.249 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.684 -8.500 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.566 -9.690 5.505 1.00 0.00 H new ATOM 339 N LEU A 23 -5.985 -6.152 2.537 1.00 0.00 N ATOM 340 CA LEU A 23 -5.312 -5.059 1.852 1.00 0.00 C ATOM 341 C LEU A 23 -6.323 -3.976 1.523 1.00 0.00 C ATOM 342 O LEU A 23 -6.077 -2.799 1.776 1.00 0.00 O ATOM 343 CB LEU A 23 -4.654 -5.573 0.557 1.00 0.00 C ATOM 344 CG LEU A 23 -3.151 -5.823 0.630 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.376 -4.535 0.920 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.772 -6.946 1.582 1.00 0.00 C ATOM 0 H LEU A 23 -5.914 -7.047 2.053 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.537 -4.649 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.144 -6.502 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.845 -4.851 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.854 -6.167 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.309 -4.754 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.565 -3.811 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.701 -4.122 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.689 -7.070 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.112 -6.701 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.243 -7.874 1.256 1.00 0.00 H new ATOM 358 N LYS A 24 -7.483 -4.376 0.997 1.00 0.00 N ATOM 359 CA LYS A 24 -8.549 -3.445 0.669 1.00 0.00 C ATOM 360 C LYS A 24 -9.005 -2.677 1.910 1.00 0.00 C ATOM 361 O LYS A 24 -9.192 -1.459 1.846 1.00 0.00 O ATOM 362 CB LYS A 24 -9.693 -4.206 -0.024 1.00 0.00 C ATOM 363 CG LYS A 24 -10.678 -3.230 -0.683 1.00 0.00 C ATOM 364 CD LYS A 24 -11.974 -3.020 0.107 1.00 0.00 C ATOM 365 CE LYS A 24 -12.926 -4.190 -0.151 1.00 0.00 C ATOM 366 NZ LYS A 24 -14.305 -3.868 0.252 1.00 0.00 N ATOM 0 H LYS A 24 -7.703 -5.350 0.790 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.183 -2.692 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.284 -4.880 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.219 -4.823 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.185 -2.267 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.927 -3.599 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.755 -2.944 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.445 -2.083 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.907 -4.448 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.582 -5.067 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.922 -4.684 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.327 -3.646 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.642 -3.046 -0.289 1.00 0.00 H new ATOM 380 N LYS A 25 -9.181 -3.360 3.049 1.00 0.00 N ATOM 381 CA LYS A 25 -9.564 -2.671 4.279 1.00 0.00 C ATOM 382 C LYS A 25 -8.473 -1.705 4.724 1.00 0.00 C ATOM 383 O LYS A 25 -8.806 -0.567 5.049 1.00 0.00 O ATOM 384 CB LYS A 25 -9.950 -3.641 5.408 1.00 0.00 C ATOM 385 CG LYS A 25 -11.281 -4.356 5.113 1.00 0.00 C ATOM 386 CD LYS A 25 -11.978 -4.818 6.401 1.00 0.00 C ATOM 387 CE LYS A 25 -13.334 -5.447 6.068 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.160 -5.716 7.269 1.00 0.00 N ATOM 0 H LYS A 25 -9.066 -4.369 3.140 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.460 -2.094 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.160 -4.381 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.031 -3.093 6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.941 -3.684 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.096 -5.217 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.352 -5.541 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.116 -3.971 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.881 -4.783 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.172 -6.380 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.064 -6.141 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.654 -6.372 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.342 -4.824 7.772 1.00 0.00 H new ATOM 402 N ALA A 26 -7.206 -2.118 4.720 1.00 0.00 N ATOM 403 CA ALA A 26 -6.077 -1.283 5.109 1.00 0.00 C ATOM 404 C ALA A 26 -6.018 -0.020 4.249 1.00 0.00 C ATOM 405 O ALA A 26 -6.163 1.086 4.758 1.00 0.00 O ATOM 406 CB ALA A 26 -4.781 -2.097 4.998 1.00 0.00 C ATOM 0 H ALA A 26 -6.934 -3.060 4.441 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.201 -0.964 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.935 -1.475 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.838 -2.963 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.649 -2.432 3.969 1.00 0.00 H new ATOM 412 N TYR A 27 -5.833 -0.190 2.941 1.00 0.00 N ATOM 413 CA TYR A 27 -5.530 0.847 1.958 1.00 0.00 C ATOM 414 C TYR A 27 -6.430 2.071 2.126 1.00 0.00 C ATOM 415 O TYR A 27 -5.950 3.202 2.257 1.00 0.00 O ATOM 416 CB TYR A 27 -5.656 0.249 0.545 1.00 0.00 C ATOM 417 CG TYR A 27 -5.616 1.290 -0.558 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.467 2.076 -0.734 1.00 0.00 C ATOM 419 CD2 TYR A 27 -6.751 1.545 -1.349 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.460 3.153 -1.636 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.741 2.607 -2.272 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.608 3.436 -2.394 1.00 0.00 C ATOM 423 OH TYR A 27 -5.671 4.571 -3.140 1.00 0.00 O ATOM 0 H TYR A 27 -5.895 -1.114 2.513 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.508 1.193 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.848 -0.466 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.591 -0.306 0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.575 1.850 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.630 0.926 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.575 3.761 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.607 2.788 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.225 5.301 -2.663 1.00 0.00 H new ATOM 433 N ARG A 28 -7.746 1.847 2.161 1.00 0.00 N ATOM 434 CA ARG A 28 -8.736 2.920 2.218 1.00 0.00 C ATOM 435 C ARG A 28 -8.505 3.846 3.412 1.00 0.00 C ATOM 436 O ARG A 28 -8.654 5.058 3.296 1.00 0.00 O ATOM 437 CB ARG A 28 -10.135 2.280 2.242 1.00 0.00 C ATOM 438 CG ARG A 28 -11.103 2.886 1.221 1.00 0.00 C ATOM 439 CD ARG A 28 -12.086 3.891 1.829 1.00 0.00 C ATOM 440 NE ARG A 28 -13.464 3.365 1.860 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.522 3.848 1.195 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.392 4.869 0.355 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.727 3.326 1.388 1.00 0.00 N ATOM 0 H ARG A 28 -8.154 0.912 2.150 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.642 3.554 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.040 1.211 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.558 2.389 3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.529 3.381 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.666 2.083 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.770 4.140 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.063 4.815 1.252 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.628 2.549 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.477 5.296 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.207 5.226 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.850 2.555 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.530 3.696 0.880 1.00 0.00 H new ATOM 457 N LYS A 29 -8.133 3.291 4.565 1.00 0.00 N ATOM 458 CA LYS A 29 -7.882 4.056 5.786 1.00 0.00 C ATOM 459 C LYS A 29 -6.782 5.078 5.544 1.00 0.00 C ATOM 460 O LYS A 29 -6.920 6.243 5.923 1.00 0.00 O ATOM 461 CB LYS A 29 -7.458 3.113 6.919 1.00 0.00 C ATOM 462 CG LYS A 29 -8.531 2.077 7.263 1.00 0.00 C ATOM 463 CD LYS A 29 -8.011 1.024 8.250 1.00 0.00 C ATOM 464 CE LYS A 29 -7.595 1.702 9.572 1.00 0.00 C ATOM 465 NZ LYS A 29 -8.007 0.946 10.775 1.00 0.00 N ATOM 0 H LYS A 29 -7.996 2.287 4.679 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.799 4.572 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.541 2.598 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.229 3.701 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.398 2.580 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.867 1.585 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.784 0.279 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.160 0.497 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.512 1.826 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.031 2.700 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.698 1.455 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.042 0.849 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.571 0.002 10.758 1.00 0.00 H new ATOM 479 N LEU A 30 -5.670 4.622 4.971 1.00 0.00 N ATOM 480 CA LEU A 30 -4.505 5.463 4.728 1.00 0.00 C ATOM 481 C LEU A 30 -4.870 6.540 3.706 1.00 0.00 C ATOM 482 O LEU A 30 -4.503 7.694 3.904 1.00 0.00 O ATOM 483 CB LEU A 30 -3.276 4.649 4.292 1.00 0.00 C ATOM 484 CG LEU A 30 -2.579 3.753 5.342 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.145 4.522 6.592 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.403 2.544 5.770 1.00 0.00 C ATOM 0 H LEU A 30 -5.554 3.657 4.662 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.220 5.943 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.577 4.013 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.534 5.348 3.907 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.694 3.392 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.662 3.838 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.444 5.308 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.019 4.968 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.846 1.966 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.343 2.881 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.611 1.919 4.901 1.00 0.00 H new ATOM 498 N ALA A 31 -5.637 6.207 2.658 1.00 0.00 N ATOM 499 CA ALA A 31 -6.089 7.177 1.661 1.00 0.00 C ATOM 500 C ALA A 31 -6.859 8.339 2.297 1.00 0.00 C ATOM 501 O ALA A 31 -6.535 9.497 2.060 1.00 0.00 O ATOM 502 CB ALA A 31 -6.917 6.476 0.581 1.00 0.00 C ATOM 0 H ALA A 31 -5.960 5.256 2.481 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.207 7.613 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.248 7.208 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.307 5.717 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.786 6.003 1.038 1.00 0.00 H new ATOM 508 N LEU A 32 -7.867 8.048 3.124 1.00 0.00 N ATOM 509 CA LEU A 32 -8.643 9.061 3.833 1.00 0.00 C ATOM 510 C LEU A 32 -7.783 9.885 4.799 1.00 0.00 C ATOM 511 O LEU A 32 -8.057 11.071 4.989 1.00 0.00 O ATOM 512 CB LEU A 32 -9.797 8.391 4.599 1.00 0.00 C ATOM 513 CG LEU A 32 -11.049 8.191 3.727 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.962 7.072 2.688 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.250 7.876 4.630 1.00 0.00 C ATOM 0 H LEU A 32 -8.168 7.093 3.320 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.041 9.749 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.464 7.424 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.055 9.000 5.465 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.151 9.126 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.897 7.019 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.141 7.277 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.786 6.121 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.139 7.734 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.051 6.966 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.414 8.704 5.319 1.00 0.00 H new ATOM 527 N LYS A 33 -6.775 9.280 5.441 1.00 0.00 N ATOM 528 CA LYS A 33 -5.847 9.999 6.312 1.00 0.00 C ATOM 529 C LYS A 33 -5.063 11.004 5.471 1.00 0.00 C ATOM 530 O LYS A 33 -5.109 12.205 5.743 1.00 0.00 O ATOM 531 CB LYS A 33 -4.935 9.007 7.060 1.00 0.00 C ATOM 532 CG LYS A 33 -3.869 9.728 7.894 1.00 0.00 C ATOM 533 CD LYS A 33 -2.987 8.795 8.735 1.00 0.00 C ATOM 534 CE LYS A 33 -3.730 8.217 9.950 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.807 7.867 11.049 1.00 0.00 N ATOM 0 H LYS A 33 -6.583 8.281 5.369 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.392 10.552 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.541 8.377 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.449 8.348 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.231 10.307 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.363 10.438 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.630 7.977 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.109 9.342 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.460 8.943 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.285 7.329 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.349 7.481 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.126 7.155 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.295 8.718 11.357 1.00 0.00 H new ATOM 549 N TYR A 34 -4.339 10.528 4.463 1.00 0.00 N ATOM 550 CA TYR A 34 -3.532 11.352 3.580 1.00 0.00 C ATOM 551 C TYR A 34 -4.371 11.776 2.383 1.00 0.00 C ATOM 552 O TYR A 34 -3.951 11.566 1.246 1.00 0.00 O ATOM 553 CB TYR A 34 -2.285 10.576 3.132 1.00 0.00 C ATOM 554 CG TYR A 34 -1.446 10.052 4.270 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.680 10.925 5.064 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.448 8.678 4.545 1.00 0.00 C ATOM 557 CE1 TYR A 34 0.024 10.429 6.175 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.698 8.172 5.603 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.014 9.047 6.468 1.00 0.00 C ATOM 560 OH TYR A 34 0.589 8.569 7.586 1.00 0.00 O ATOM 0 H TYR A 34 -4.299 9.535 4.235 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.200 12.245 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.596 9.738 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.670 11.226 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.633 11.976 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.034 8.008 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.591 11.101 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.641 7.105 5.761 1.00 0.00 H new ATOM 0 HH TYR A 34 0.466 7.598 7.635 1.00 0.00 H new ATOM 570 N HIS A 35 -5.553 12.361 2.589 1.00 0.00 N ATOM 571 CA HIS A 35 -6.259 12.923 1.448 1.00 0.00 C ATOM 572 C HIS A 35 -5.626 14.293 1.168 1.00 0.00 C ATOM 573 O HIS A 35 -5.396 15.018 2.139 1.00 0.00 O ATOM 574 CB HIS A 35 -7.750 13.024 1.805 1.00 0.00 C ATOM 575 CG HIS A 35 -8.617 12.829 0.597 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.458 13.755 0.024 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.656 11.690 -0.158 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.976 13.186 -1.078 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.518 11.932 -1.231 1.00 0.00 N ATOM 0 H HIS A 35 -6.020 12.454 3.491 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.181 12.308 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.997 12.274 2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.954 13.999 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.120 10.773 0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.668 13.672 -1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.753 11.284 -1.983 1.00 0.00 H new ATOM 587 N PRO A 36 -5.456 14.738 -0.093 1.00 0.00 N ATOM 588 CA PRO A 36 -4.718 15.974 -0.369 1.00 0.00 C ATOM 589 C PRO A 36 -5.491 17.183 0.138 1.00 0.00 C ATOM 590 O PRO A 36 -4.899 18.100 0.700 1.00 0.00 O ATOM 591 CB PRO A 36 -4.525 16.040 -1.884 1.00 0.00 C ATOM 592 CG PRO A 36 -5.532 15.038 -2.449 1.00 0.00 C ATOM 593 CD PRO A 36 -5.730 14.015 -1.326 1.00 0.00 C ATOM 0 HA PRO A 36 -3.755 15.980 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.711 17.045 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.505 15.777 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.471 15.525 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.154 14.564 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.745 13.617 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.055 13.167 -1.443 1.00 0.00 H new ATOM 601 N ASP A 37 -6.818 17.130 -0.002 1.00 0.00 N ATOM 602 CA ASP A 37 -7.773 18.159 0.381 1.00 0.00 C ATOM 603 C ASP A 37 -7.521 18.694 1.791 1.00 0.00 C ATOM 604 O ASP A 37 -7.621 19.900 2.024 1.00 0.00 O ATOM 605 CB ASP A 37 -9.180 17.567 0.233 1.00 0.00 C ATOM 606 CG ASP A 37 -10.270 18.448 0.844 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.327 19.659 0.528 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.116 17.898 1.588 1.00 0.00 O ATOM 0 H ASP A 37 -7.277 16.316 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.661 19.024 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.394 17.416 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.206 16.586 0.707 1.00 0.00 H new ATOM 613 N LYS A 38 -7.111 17.833 2.727 1.00 0.00 N ATOM 614 CA LYS A 38 -6.784 18.212 4.096 1.00 0.00 C ATOM 615 C LYS A 38 -5.412 17.687 4.523 1.00 0.00 C ATOM 616 O LYS A 38 -5.179 17.557 5.726 1.00 0.00 O ATOM 617 CB LYS A 38 -7.935 17.797 5.030 1.00 0.00 C ATOM 618 CG LYS A 38 -9.210 18.603 4.730 1.00 0.00 C ATOM 619 CD LYS A 38 -10.128 18.720 5.955 1.00 0.00 C ATOM 620 CE LYS A 38 -11.297 19.679 5.698 1.00 0.00 C ATOM 621 NZ LYS A 38 -10.861 21.060 5.386 1.00 0.00 N ATOM 0 H LYS A 38 -6.996 16.836 2.547 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.691 19.296 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.138 16.733 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.639 17.952 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.934 19.601 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.755 18.127 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.516 17.735 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.551 19.071 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.896 19.298 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.943 19.698 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.666 21.710 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.103 21.341 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.507 21.100 4.409 1.00 0.00 H new ATOM 635 N ASN A 39 -4.515 17.364 3.584 1.00 0.00 N ATOM 636 CA ASN A 39 -3.130 17.009 3.896 1.00 0.00 C ATOM 637 C ASN A 39 -2.168 17.294 2.727 1.00 0.00 C ATOM 638 O ASN A 39 -1.441 16.399 2.292 1.00 0.00 O ATOM 639 CB ASN A 39 -3.057 15.539 4.357 1.00 0.00 C ATOM 640 CG ASN A 39 -1.835 15.263 5.220 1.00 0.00 C ATOM 641 OD1 ASN A 39 -0.949 16.088 5.405 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.807 14.115 5.879 1.00 0.00 N ATOM 0 H ASN A 39 -4.731 17.342 2.587 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.796 17.648 4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.958 15.292 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.036 14.887 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.051 13.922 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.542 13.423 5.730 1.00 0.00 H new ATOM 649 N PRO A 40 -2.110 18.530 2.195 1.00 0.00 N ATOM 650 CA PRO A 40 -1.274 18.869 1.037 1.00 0.00 C ATOM 651 C PRO A 40 0.224 18.720 1.329 1.00 0.00 C ATOM 652 O PRO A 40 1.038 18.494 0.428 1.00 0.00 O ATOM 653 CB PRO A 40 -1.622 20.320 0.697 1.00 0.00 C ATOM 654 CG PRO A 40 -2.138 20.900 2.011 1.00 0.00 C ATOM 655 CD PRO A 40 -2.790 19.708 2.705 1.00 0.00 C ATOM 0 HA PRO A 40 -1.471 18.190 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.749 20.865 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.378 20.375 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.328 21.317 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.854 21.704 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.686 19.781 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.858 19.667 2.490 1.00 0.00 H new ATOM 663 N ASN A 41 0.586 18.806 2.607 1.00 0.00 N ATOM 664 CA ASN A 41 1.930 18.663 3.148 1.00 0.00 C ATOM 665 C ASN A 41 2.470 17.243 2.930 1.00 0.00 C ATOM 666 O ASN A 41 3.671 17.007 3.035 1.00 0.00 O ATOM 667 CB ASN A 41 1.884 18.990 4.651 1.00 0.00 C ATOM 668 CG ASN A 41 0.966 20.163 4.989 1.00 0.00 C ATOM 669 OD1 ASN A 41 -0.213 19.951 5.248 1.00 0.00 O ATOM 670 ND2 ASN A 41 1.401 21.406 4.875 1.00 0.00 N ATOM 0 H ASN A 41 -0.100 18.990 3.339 1.00 0.00 H new ATOM 0 HA ASN A 41 2.601 19.349 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.550 18.108 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.893 19.216 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.756 22.186 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.382 21.585 4.660 1.00 0.00 H new ATOM 677 N GLU A 42 1.586 16.296 2.618 1.00 0.00 N ATOM 678 CA GLU A 42 1.843 14.888 2.340 1.00 0.00 C ATOM 679 C GLU A 42 1.139 14.521 1.027 1.00 0.00 C ATOM 680 O GLU A 42 0.908 13.342 0.767 1.00 0.00 O ATOM 681 CB GLU A 42 1.315 14.053 3.522 1.00 0.00 C ATOM 682 CG GLU A 42 1.965 14.362 4.884 1.00 0.00 C ATOM 683 CD GLU A 42 3.283 13.626 5.137 1.00 0.00 C ATOM 684 OE1 GLU A 42 4.145 13.531 4.240 1.00 0.00 O ATOM 685 OE2 GLU A 42 3.422 13.021 6.232 1.00 0.00 O ATOM 0 H GLU A 42 0.592 16.514 2.548 1.00 0.00 H new ATOM 0 HA GLU A 42 2.908 14.687 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.240 14.211 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.466 12.997 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.143 15.435 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.261 14.104 5.676 1.00 0.00 H new ATOM 692 N GLY A 43 0.799 15.508 0.186 1.00 0.00 N ATOM 693 CA GLY A 43 -0.013 15.292 -1.001 1.00 0.00 C ATOM 694 C GLY A 43 0.626 14.318 -1.990 1.00 0.00 C ATOM 695 O GLY A 43 -0.096 13.604 -2.694 1.00 0.00 O ATOM 0 H GLY A 43 1.084 16.478 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.989 14.910 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.182 16.247 -1.498 1.00 0.00 H new ATOM 699 N GLU A 44 1.961 14.233 -2.018 1.00 0.00 N ATOM 700 CA GLU A 44 2.667 13.236 -2.808 1.00 0.00 C ATOM 701 C GLU A 44 2.890 11.923 -2.051 1.00 0.00 C ATOM 702 O GLU A 44 3.095 10.905 -2.703 1.00 0.00 O ATOM 703 CB GLU A 44 3.986 13.791 -3.370 1.00 0.00 C ATOM 704 CG GLU A 44 4.074 13.352 -4.855 1.00 0.00 C ATOM 705 CD GLU A 44 5.377 13.657 -5.613 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.477 13.644 -5.017 1.00 0.00 O ATOM 707 OE2 GLU A 44 5.295 13.844 -6.859 1.00 0.00 O ATOM 0 H GLU A 44 2.575 14.855 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 44 2.017 12.999 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.012 14.878 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.836 13.408 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.905 12.276 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.253 13.825 -5.394 1.00 0.00 H new ATOM 714 N LYS A 45 2.754 11.870 -0.716 1.00 0.00 N ATOM 715 CA LYS A 45 2.808 10.607 0.021 1.00 0.00 C ATOM 716 C LYS A 45 1.747 9.653 -0.503 1.00 0.00 C ATOM 717 O LYS A 45 1.985 8.450 -0.534 1.00 0.00 O ATOM 718 CB LYS A 45 2.607 10.810 1.531 1.00 0.00 C ATOM 719 CG LYS A 45 3.035 9.542 2.288 1.00 0.00 C ATOM 720 CD LYS A 45 2.682 9.536 3.777 1.00 0.00 C ATOM 721 CE LYS A 45 3.671 10.379 4.576 1.00 0.00 C ATOM 722 NZ LYS A 45 3.527 10.213 6.038 1.00 0.00 N ATOM 0 H LYS A 45 2.606 12.691 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 45 3.801 10.185 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.192 11.664 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.561 11.035 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.569 8.678 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.113 9.420 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.673 9.923 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.686 8.512 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.686 10.111 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.533 11.430 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.435 11.147 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.679 9.647 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.366 9.728 6.417 1.00 0.00 H new ATOM 736 N PHE A 46 0.605 10.176 -0.960 1.00 0.00 N ATOM 737 CA PHE A 46 -0.416 9.381 -1.636 1.00 0.00 C ATOM 738 C PHE A 46 0.211 8.458 -2.679 1.00 0.00 C ATOM 739 O PHE A 46 -0.135 7.282 -2.759 1.00 0.00 O ATOM 740 CB PHE A 46 -1.477 10.266 -2.295 1.00 0.00 C ATOM 741 CG PHE A 46 -2.847 9.612 -2.348 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.050 8.421 -3.074 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.919 10.163 -1.626 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.293 7.770 -3.033 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.159 9.506 -1.569 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.341 8.300 -2.265 1.00 0.00 C ATOM 0 H PHE A 46 0.366 11.163 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.904 8.774 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.550 11.205 -1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.159 10.512 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.246 8.007 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.788 11.102 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.443 6.859 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.969 9.927 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.286 7.781 -2.209 1.00 0.00 H new ATOM 756 N LYS A 47 1.160 8.976 -3.453 1.00 0.00 N ATOM 757 CA LYS A 47 1.852 8.230 -4.486 1.00 0.00 C ATOM 758 C LYS A 47 2.529 6.973 -3.935 1.00 0.00 C ATOM 759 O LYS A 47 2.368 5.924 -4.552 1.00 0.00 O ATOM 760 CB LYS A 47 2.803 9.174 -5.254 1.00 0.00 C ATOM 761 CG LYS A 47 2.854 8.797 -6.734 1.00 0.00 C ATOM 762 CD LYS A 47 3.390 9.911 -7.639 1.00 0.00 C ATOM 763 CE LYS A 47 3.485 9.390 -9.083 1.00 0.00 C ATOM 764 NZ LYS A 47 3.515 10.486 -10.073 1.00 0.00 N ATOM 0 H LYS A 47 1.472 9.944 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 47 1.126 7.850 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.466 10.205 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.803 9.120 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.480 7.913 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.852 8.524 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.732 10.779 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.371 10.237 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.384 8.782 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.635 8.740 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.579 10.087 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.646 11.052 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.341 11.092 -9.895 1.00 0.00 H new ATOM 778 N GLN A 48 3.169 7.022 -2.759 1.00 0.00 N ATOM 779 CA GLN A 48 3.675 5.834 -2.059 1.00 0.00 C ATOM 780 C GLN A 48 2.544 4.844 -1.741 1.00 0.00 C ATOM 781 O GLN A 48 2.753 3.635 -1.872 1.00 0.00 O ATOM 782 CB GLN A 48 4.392 6.235 -0.748 1.00 0.00 C ATOM 783 CG GLN A 48 5.912 6.393 -0.875 1.00 0.00 C ATOM 784 CD GLN A 48 6.614 5.041 -0.927 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.485 4.223 -0.018 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.347 4.765 -1.987 1.00 0.00 N ATOM 0 H GLN A 48 3.351 7.894 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 48 4.386 5.346 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.971 7.175 -0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.180 5.482 0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.145 6.960 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.291 6.968 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.445 5.454 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.817 3.863 -2.061 1.00 0.00 H new ATOM 795 N ILE A 49 1.369 5.338 -1.320 1.00 0.00 N ATOM 796 CA ILE A 49 0.243 4.495 -0.901 1.00 0.00 C ATOM 797 C ILE A 49 -0.232 3.726 -2.134 1.00 0.00 C ATOM 798 O ILE A 49 -0.427 2.513 -2.081 1.00 0.00 O ATOM 799 CB ILE A 49 -0.930 5.312 -0.282 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.453 6.415 0.679 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.920 4.390 0.448 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.564 7.202 1.377 1.00 0.00 C ATOM 0 H ILE A 49 1.175 6.338 -1.261 1.00 0.00 H new ATOM 0 HA ILE A 49 0.579 3.820 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.430 5.798 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.181 5.961 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.170 7.115 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.729 4.986 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.332 3.668 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.402 3.861 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.122 7.954 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.187 7.693 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.176 6.521 1.969 1.00 0.00 H new ATOM 814 N SER A 50 -0.424 4.456 -3.234 1.00 0.00 N ATOM 815 CA SER A 50 -0.848 3.899 -4.494 1.00 0.00 C ATOM 816 C SER A 50 0.183 2.882 -4.966 1.00 0.00 C ATOM 817 O SER A 50 -0.192 1.736 -5.154 1.00 0.00 O ATOM 818 CB SER A 50 -1.123 4.997 -5.498 1.00 0.00 C ATOM 819 OG SER A 50 -2.031 4.535 -6.472 1.00 0.00 O ATOM 0 H SER A 50 -0.284 5.466 -3.262 1.00 0.00 H new ATOM 0 HA SER A 50 -1.792 3.367 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.532 5.871 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.193 5.309 -5.973 1.00 0.00 H new ATOM 0 HG SER A 50 -2.208 5.249 -7.119 1.00 0.00 H new ATOM 825 N GLN A 51 1.466 3.248 -5.080 1.00 0.00 N ATOM 826 CA GLN A 51 2.538 2.393 -5.585 1.00 0.00 C ATOM 827 C GLN A 51 2.517 1.024 -4.903 1.00 0.00 C ATOM 828 O GLN A 51 2.728 0.000 -5.550 1.00 0.00 O ATOM 829 CB GLN A 51 3.868 3.131 -5.337 1.00 0.00 C ATOM 830 CG GLN A 51 5.116 2.489 -5.957 1.00 0.00 C ATOM 831 CD GLN A 51 5.279 2.787 -7.450 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.030 3.906 -7.887 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.707 1.826 -8.251 1.00 0.00 N ATOM 0 H GLN A 51 1.793 4.177 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 51 2.409 2.204 -6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.775 4.146 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.021 3.212 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.999 2.843 -5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.069 1.410 -5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.910 0.900 -7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.834 2.010 -9.246 1.00 0.00 H new ATOM 842 N ALA A 52 2.249 1.006 -3.592 1.00 0.00 N ATOM 843 CA ALA A 52 2.126 -0.228 -2.845 1.00 0.00 C ATOM 844 C ALA A 52 0.875 -1.015 -3.208 1.00 0.00 C ATOM 845 O ALA A 52 0.968 -2.200 -3.532 1.00 0.00 O ATOM 846 CB ALA A 52 2.171 0.077 -1.344 1.00 0.00 C ATOM 0 H ALA A 52 2.114 1.847 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 52 2.969 -0.865 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.078 -0.852 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.118 0.557 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.348 0.743 -1.083 1.00 0.00 H new ATOM 852 N TYR A 53 -0.303 -0.401 -3.109 1.00 0.00 N ATOM 853 CA TYR A 53 -1.534 -1.120 -3.394 1.00 0.00 C ATOM 854 C TYR A 53 -1.590 -1.546 -4.866 1.00 0.00 C ATOM 855 O TYR A 53 -2.214 -2.549 -5.161 1.00 0.00 O ATOM 856 CB TYR A 53 -2.744 -0.264 -2.991 1.00 0.00 C ATOM 857 CG TYR A 53 -4.065 -1.016 -2.997 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.389 -1.900 -1.949 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.963 -0.860 -4.067 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.606 -2.605 -1.966 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.181 -1.564 -4.090 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.504 -2.453 -3.044 1.00 0.00 C ATOM 863 OH TYR A 53 -7.669 -3.165 -3.085 1.00 0.00 O ATOM 0 H TYR A 53 -0.426 0.575 -2.838 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.561 -2.034 -2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.573 0.141 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.818 0.585 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.700 -2.037 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.716 -0.193 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.855 -3.267 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.870 -1.423 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.165 -2.934 -3.898 1.00 0.00 H new ATOM 873 N GLU A 54 -0.920 -0.843 -5.781 1.00 0.00 N ATOM 874 CA GLU A 54 -1.126 -0.948 -7.229 1.00 0.00 C ATOM 875 C GLU A 54 -0.632 -2.285 -7.784 1.00 0.00 C ATOM 876 O GLU A 54 -1.149 -2.805 -8.778 1.00 0.00 O ATOM 877 CB GLU A 54 -0.423 0.245 -7.903 1.00 0.00 C ATOM 878 CG GLU A 54 -0.730 0.385 -9.397 1.00 0.00 C ATOM 879 CD GLU A 54 0.173 -0.382 -10.357 1.00 0.00 C ATOM 880 OE1 GLU A 54 1.200 -0.976 -9.972 1.00 0.00 O ATOM 881 OE2 GLU A 54 -0.222 -0.523 -11.539 1.00 0.00 O ATOM 0 H GLU A 54 -0.199 -0.166 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.194 -0.916 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.718 1.163 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.654 0.140 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.757 0.062 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.682 1.443 -9.656 1.00 0.00 H new ATOM 888 N VAL A 55 0.357 -2.869 -7.120 1.00 0.00 N ATOM 889 CA VAL A 55 0.908 -4.167 -7.468 1.00 0.00 C ATOM 890 C VAL A 55 0.084 -5.270 -6.802 1.00 0.00 C ATOM 891 O VAL A 55 -0.050 -6.359 -7.352 1.00 0.00 O ATOM 892 CB VAL A 55 2.395 -4.136 -7.078 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.083 -5.500 -7.143 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.110 -3.178 -8.046 1.00 0.00 C ATOM 0 H VAL A 55 0.806 -2.443 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 55 0.852 -4.388 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 55 2.454 -3.811 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.129 -5.394 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.586 -6.191 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.025 -5.889 -8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.170 -3.133 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.993 -3.539 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.674 -2.182 -7.961 1.00 0.00 H new ATOM 904 N LEU A 56 -0.526 -4.984 -5.651 1.00 0.00 N ATOM 905 CA LEU A 56 -1.396 -5.923 -4.951 1.00 0.00 C ATOM 906 C LEU A 56 -2.831 -5.860 -5.507 1.00 0.00 C ATOM 907 O LEU A 56 -3.635 -6.758 -5.248 1.00 0.00 O ATOM 908 CB LEU A 56 -1.344 -5.621 -3.440 1.00 0.00 C ATOM 909 CG LEU A 56 0.098 -5.555 -2.875 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.082 -5.218 -1.383 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.893 -6.848 -3.072 1.00 0.00 C ATOM 0 H LEU A 56 -0.428 -4.086 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.047 -6.943 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.845 -4.672 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.902 -6.389 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 56 0.595 -4.769 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.105 -5.177 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.398 -4.251 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.472 -5.986 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.892 -6.728 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.383 -7.669 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.971 -7.069 -4.137 1.00 0.00 H new ATOM 923 N SER A 57 -3.170 -4.829 -6.282 1.00 0.00 N ATOM 924 CA SER A 57 -4.471 -4.618 -6.892 1.00 0.00 C ATOM 925 C SER A 57 -4.851 -5.767 -7.821 1.00 0.00 C ATOM 926 O SER A 57 -6.042 -6.089 -7.880 1.00 0.00 O ATOM 927 CB SER A 57 -4.467 -3.296 -7.673 1.00 0.00 C ATOM 928 OG SER A 57 -4.810 -2.197 -6.856 1.00 0.00 O ATOM 0 H SER A 57 -2.509 -4.086 -6.508 1.00 0.00 H new ATOM 0 HA SER A 57 -5.213 -4.575 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.479 -3.133 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.170 -3.364 -8.503 1.00 0.00 H new ATOM 0 HG SER A 57 -5.132 -2.522 -5.989 1.00 0.00 H new ATOM 934 N ASP A 58 -3.880 -6.408 -8.482 1.00 0.00 N ATOM 935 CA ASP A 58 -4.123 -7.400 -9.525 1.00 0.00 C ATOM 936 C ASP A 58 -3.465 -8.721 -9.179 1.00 0.00 C ATOM 937 O ASP A 58 -2.406 -8.735 -8.548 1.00 0.00 O ATOM 938 CB ASP A 58 -3.532 -6.935 -10.862 1.00 0.00 C ATOM 939 CG ASP A 58 -4.330 -7.415 -12.073 1.00 0.00 C ATOM 940 OD1 ASP A 58 -5.275 -8.224 -11.909 1.00 0.00 O ATOM 941 OD2 ASP A 58 -3.950 -7.047 -13.198 1.00 0.00 O ATOM 0 H ASP A 58 -2.889 -6.246 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.203 -7.522 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.488 -5.846 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.507 -7.297 -10.944 1.00 0.00 H new ATOM 946 N ALA A 59 -4.036 -9.823 -9.664 1.00 0.00 N ATOM 947 CA ALA A 59 -3.521 -11.143 -9.356 1.00 0.00 C ATOM 948 C ALA A 59 -2.193 -11.398 -10.067 1.00 0.00 C ATOM 949 O ALA A 59 -1.252 -11.833 -9.410 1.00 0.00 O ATOM 950 CB ALA A 59 -4.547 -12.215 -9.729 1.00 0.00 C ATOM 0 H ALA A 59 -4.855 -9.821 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.339 -11.193 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.146 -13.200 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.465 -12.052 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.762 -12.158 -10.796 1.00 0.00 H new ATOM 956 N LYS A 60 -2.073 -11.136 -11.377 1.00 0.00 N ATOM 957 CA LYS A 60 -0.838 -11.359 -12.115 1.00 0.00 C ATOM 958 C LYS A 60 0.280 -10.449 -11.622 1.00 0.00 C ATOM 959 O LYS A 60 1.446 -10.835 -11.700 1.00 0.00 O ATOM 960 CB LYS A 60 -1.075 -11.071 -13.603 1.00 0.00 C ATOM 961 CG LYS A 60 -1.501 -12.283 -14.451 1.00 0.00 C ATOM 962 CD LYS A 60 -0.919 -12.109 -15.862 1.00 0.00 C ATOM 963 CE LYS A 60 -1.354 -13.180 -16.854 1.00 0.00 C ATOM 964 NZ LYS A 60 -0.688 -12.956 -18.153 1.00 0.00 N ATOM 0 H LYS A 60 -2.833 -10.764 -11.947 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.541 -12.396 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.842 -10.301 -13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.160 -10.657 -14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.139 -13.208 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.588 -12.354 -14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.214 -11.133 -16.246 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.169 -12.111 -15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.101 -14.169 -16.471 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.436 -13.154 -16.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.987 -13.689 -18.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.950 -12.019 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.343 -13.002 -18.027 1.00 0.00 H new ATOM 978 N LYS A 61 -0.056 -9.243 -11.160 1.00 0.00 N ATOM 979 CA LYS A 61 0.914 -8.319 -10.589 1.00 0.00 C ATOM 980 C LYS A 61 1.421 -8.917 -9.284 1.00 0.00 C ATOM 981 O LYS A 61 2.630 -9.103 -9.133 1.00 0.00 O ATOM 982 CB LYS A 61 0.286 -6.944 -10.376 1.00 0.00 C ATOM 983 CG LYS A 61 -0.091 -6.279 -11.706 1.00 0.00 C ATOM 984 CD LYS A 61 1.009 -5.415 -12.324 1.00 0.00 C ATOM 985 CE LYS A 61 1.382 -4.190 -11.478 1.00 0.00 C ATOM 986 NZ LYS A 61 0.264 -3.268 -11.232 1.00 0.00 N ATOM 0 H LYS A 61 -1.010 -8.883 -11.173 1.00 0.00 H new ATOM 0 HA LYS A 61 1.753 -8.176 -11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.604 -7.043 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.984 -6.305 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.368 -7.056 -12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.975 -5.661 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.899 -6.027 -12.473 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.685 -5.080 -13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.776 -4.530 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.184 -3.647 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.521 -2.315 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.577 -3.597 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.056 -3.239 -10.213 1.00 0.00 H new ATOM 1000 N ARG A 62 0.502 -9.275 -8.376 1.00 0.00 N ATOM 1001 CA ARG A 62 0.886 -9.934 -7.127 1.00 0.00 C ATOM 1002 C ARG A 62 1.715 -11.194 -7.375 1.00 0.00 C ATOM 1003 O ARG A 62 2.685 -11.393 -6.651 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.324 -10.235 -6.231 1.00 0.00 C ATOM 1005 CG ARG A 62 0.158 -10.882 -4.910 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.770 -10.627 -3.722 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.697 -11.697 -2.712 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.298 -12.894 -2.779 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.082 -13.223 -3.805 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.086 -13.765 -1.804 1.00 0.00 N ATOM 0 H ARG A 62 -0.500 -9.120 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 62 1.517 -9.226 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.871 -9.316 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.013 -10.905 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.256 -11.957 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.151 -10.501 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.509 -9.675 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.796 -10.537 -4.079 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.135 -11.509 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.236 -12.558 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.528 -14.140 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.477 -13.519 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.532 -14.682 -1.833 1.00 0.00 H new ATOM 1024 N GLU A 63 1.373 -12.028 -8.361 1.00 0.00 N ATOM 1025 CA GLU A 63 2.096 -13.267 -8.644 1.00 0.00 C ATOM 1026 C GLU A 63 3.590 -12.988 -8.833 1.00 0.00 C ATOM 1027 O GLU A 63 4.429 -13.678 -8.249 1.00 0.00 O ATOM 1028 CB GLU A 63 1.569 -13.946 -9.917 1.00 0.00 C ATOM 1029 CG GLU A 63 0.276 -14.771 -9.802 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.246 -15.194 -11.187 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.522 -15.138 -12.175 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.441 -15.563 -11.303 1.00 0.00 O ATOM 0 H GLU A 63 0.585 -11.861 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 63 1.941 -13.928 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.408 -13.173 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.353 -14.601 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.461 -15.657 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.486 -14.186 -9.288 1.00 0.00 H new ATOM 1039 N LEU A 64 3.917 -11.987 -9.658 1.00 0.00 N ATOM 1040 CA LEU A 64 5.286 -11.560 -9.924 1.00 0.00 C ATOM 1041 C LEU A 64 5.915 -11.109 -8.618 1.00 0.00 C ATOM 1042 O LEU A 64 6.896 -11.689 -8.164 1.00 0.00 O ATOM 1043 CB LEU A 64 5.303 -10.426 -10.976 1.00 0.00 C ATOM 1044 CG LEU A 64 5.541 -10.883 -12.425 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.006 -11.261 -12.648 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.645 -12.056 -12.834 1.00 0.00 C ATOM 0 H LEU A 64 3.220 -11.443 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 64 5.863 -12.390 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.352 -9.895 -10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.080 -9.712 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 64 5.282 -10.032 -13.054 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.146 -11.580 -13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.639 -10.397 -12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.278 -12.075 -11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.858 -12.334 -13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.839 -12.907 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.599 -11.763 -12.746 1.00 0.00 H new ATOM 1058 N TYR A 65 5.357 -10.068 -8.019 1.00 0.00 N ATOM 1059 CA TYR A 65 5.765 -9.462 -6.763 1.00 0.00 C ATOM 1060 C TYR A 65 6.072 -10.489 -5.672 1.00 0.00 C ATOM 1061 O TYR A 65 7.100 -10.342 -5.005 1.00 0.00 O ATOM 1062 CB TYR A 65 4.685 -8.471 -6.369 1.00 0.00 C ATOM 1063 CG TYR A 65 4.756 -8.004 -4.936 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.641 -6.974 -4.580 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.968 -8.636 -3.956 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.757 -6.584 -3.234 1.00 0.00 C ATOM 1067 CE2 TYR A 65 4.064 -8.242 -2.614 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.972 -7.221 -2.244 1.00 0.00 C ATOM 1069 OH TYR A 65 5.105 -6.870 -0.937 1.00 0.00 O ATOM 0 H TYR A 65 4.552 -9.593 -8.427 1.00 0.00 H new ATOM 0 HA TYR A 65 6.713 -8.940 -6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.750 -7.602 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.710 -8.928 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.232 -6.482 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.288 -9.426 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.445 -5.799 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.447 -8.716 -1.865 1.00 0.00 H new ATOM 0 HH TYR A 65 4.441 -7.351 -0.400 1.00 0.00 H new ATOM 1079 N ASP A 66 5.264 -11.535 -5.517 1.00 0.00 N ATOM 1080 CA ASP A 66 5.451 -12.576 -4.504 1.00 0.00 C ATOM 1081 C ASP A 66 6.811 -13.242 -4.667 1.00 0.00 C ATOM 1082 O ASP A 66 7.576 -13.331 -3.708 1.00 0.00 O ATOM 1083 CB ASP A 66 4.343 -13.630 -4.562 1.00 0.00 C ATOM 1084 CG ASP A 66 4.296 -14.424 -3.251 1.00 0.00 C ATOM 1085 OD1 ASP A 66 5.022 -15.442 -3.109 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.437 -14.078 -2.403 1.00 0.00 O ATOM 0 H ASP A 66 4.443 -11.688 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 66 5.403 -12.092 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.381 -13.148 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.518 -14.306 -5.399 1.00 0.00 H new ATOM 1091 N LYS A 67 7.171 -13.628 -5.898 1.00 0.00 N ATOM 1092 CA LYS A 67 8.497 -14.167 -6.210 1.00 0.00 C ATOM 1093 C LYS A 67 9.536 -13.081 -6.506 1.00 0.00 C ATOM 1094 O LYS A 67 10.552 -13.369 -7.146 1.00 0.00 O ATOM 1095 CB LYS A 67 8.436 -15.253 -7.299 1.00 0.00 C ATOM 1096 CG LYS A 67 7.904 -14.796 -8.668 1.00 0.00 C ATOM 1097 CD LYS A 67 8.600 -15.538 -9.822 1.00 0.00 C ATOM 1098 CE LYS A 67 9.867 -14.773 -10.223 1.00 0.00 C ATOM 1099 NZ LYS A 67 10.954 -15.661 -10.688 1.00 0.00 N ATOM 0 H LYS A 67 6.549 -13.574 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 67 8.849 -14.657 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.438 -15.660 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.807 -16.068 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.829 -14.971 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.058 -13.723 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.855 -16.553 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.926 -15.622 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.622 -14.063 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.219 -14.192 -9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.784 -15.089 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.211 -16.322 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.633 -16.197 -11.519 1.00 0.00 H new ATOM 1113 N GLY A 68 9.321 -11.844 -6.063 1.00 0.00 N ATOM 1114 CA GLY A 68 10.313 -10.791 -6.201 1.00 0.00 C ATOM 1115 C GLY A 68 10.335 -10.205 -7.610 1.00 0.00 C ATOM 1116 O GLY A 68 11.400 -9.795 -8.081 1.00 0.00 O ATOM 0 H GLY A 68 8.460 -11.549 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.103 -9.999 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.299 -11.188 -5.958 1.00 0.00 H new ATOM 1120 N GLY A 69 9.203 -10.224 -8.322 1.00 0.00 N ATOM 1121 CA GLY A 69 9.133 -9.989 -9.756 1.00 0.00 C ATOM 1122 C GLY A 69 8.905 -8.529 -10.114 1.00 0.00 C ATOM 1123 O GLY A 69 9.242 -8.119 -11.220 1.00 0.00 O ATOM 0 H GLY A 69 8.292 -10.408 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.059 -10.329 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.327 -10.590 -10.177 1.00 0.00 H new ATOM 1127 N GLU A 70 8.366 -7.736 -9.194 1.00 0.00 N ATOM 1128 CA GLU A 70 8.276 -6.290 -9.302 1.00 0.00 C ATOM 1129 C GLU A 70 8.264 -5.674 -7.906 1.00 0.00 C ATOM 1130 O GLU A 70 7.280 -5.098 -7.441 1.00 0.00 O ATOM 1131 CB GLU A 70 7.122 -5.892 -10.224 1.00 0.00 C ATOM 1132 CG GLU A 70 5.721 -6.446 -9.927 1.00 0.00 C ATOM 1133 CD GLU A 70 4.827 -6.188 -11.141 1.00 0.00 C ATOM 1134 OE1 GLU A 70 5.013 -6.841 -12.196 1.00 0.00 O ATOM 1135 OE2 GLU A 70 4.013 -5.242 -11.112 1.00 0.00 O ATOM 0 H GLU A 70 7.968 -8.096 -8.327 1.00 0.00 H new ATOM 0 HA GLU A 70 9.158 -5.873 -9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.056 -4.804 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.389 -6.192 -11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.773 -7.514 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.304 -5.966 -9.041 1.00 0.00 H new ATOM 1142 N GLN A 71 9.394 -5.813 -7.224 1.00 0.00 N ATOM 1143 CA GLN A 71 9.732 -5.171 -5.965 1.00 0.00 C ATOM 1144 C GLN A 71 11.240 -4.949 -6.019 1.00 0.00 C ATOM 1145 O GLN A 71 11.976 -5.327 -5.084 1.00 0.00 O ATOM 1146 CB GLN A 71 9.227 -5.981 -4.752 1.00 0.00 C ATOM 1147 CG GLN A 71 9.302 -7.510 -4.876 1.00 0.00 C ATOM 1148 CD GLN A 71 9.588 -8.183 -3.532 1.00 0.00 C ATOM 1149 OE1 GLN A 71 10.724 -8.584 -3.280 1.00 0.00 O ATOM 1150 NE2 GLN A 71 8.598 -8.333 -2.666 1.00 0.00 N ATOM 0 H GLN A 71 10.145 -6.416 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 71 9.231 -4.212 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.802 -5.680 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.190 -5.704 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.361 -7.887 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.082 -7.778 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.664 -7.993 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.769 -8.788 -1.770 1.00 0.00 H new TER 1159 GLN A 71