USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 40 ASN : amide:sc= 0.63 K(o=1.2,f=-4.2!) USER MOD Set 1.2: A 43 SER OG : rot 27:sc= 0.525 USER MOD Single : A 11 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc=-0.00212 (180deg=-0.0772) USER MOD Single : A 15 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0501) USER MOD Single : A 18 GLN : amide:sc= 0.615 K(o=0.62,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 178:sc= -3.27 (180deg=-3.34) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0648) USER MOD Single : A 38 TYR OH : rot -173:sc= 0.964 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 46 THR OG1 : rot -95:sc= 0.0579 USER MOD Single : A 48 SER OG : rot 83:sc= 1.18 USER MOD Single : A 54 ASN : amide:sc= 1.38 K(o=1.4,f=-5!) USER MOD Single : A 56 SER OG : rot 54:sc= 0.626 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.566 (180deg=0.515) USER MOD Single : A 59 ASN : amide:sc= -0.874 K(o=-0.87,f=-2.2!) USER MOD Single : A 60 MET CE :methyl -160:sc= -1.52 (180deg=-3.12) USER MOD Single : A 61 CYS SG : rot -30:sc= 0.176 USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0374) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0128) USER MOD Single : A 72 ASN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 4.568 6.542 -0.154 1.00 0.00 N ATOM 16 CA LEU A 6 5.463 6.670 0.991 1.00 0.00 C ATOM 17 C LEU A 6 5.977 5.307 1.458 1.00 0.00 C ATOM 18 O LEU A 6 7.176 5.156 1.676 1.00 0.00 O ATOM 19 CB LEU A 6 4.770 7.413 2.143 1.00 0.00 C ATOM 20 CG LEU A 6 4.725 8.941 1.952 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.752 9.386 0.852 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.309 9.598 3.273 1.00 0.00 C ATOM 0 HA LEU A 6 6.325 7.256 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.752 7.038 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.289 7.187 3.075 1.00 0.00 H new ATOM 0 HG LEU A 6 5.724 9.252 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.769 10.473 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.051 8.945 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.744 9.057 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.275 10.680 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.323 9.235 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.033 9.346 4.048 1.00 0.00 H new ATOM 34 N GLU A 7 5.086 4.314 1.567 1.00 0.00 N ATOM 35 CA GLU A 7 5.427 2.950 1.953 1.00 0.00 C ATOM 36 C GLU A 7 6.576 2.398 1.101 1.00 0.00 C ATOM 37 O GLU A 7 7.517 1.809 1.628 1.00 0.00 O ATOM 38 CB GLU A 7 4.174 2.070 1.835 1.00 0.00 C ATOM 39 CG GLU A 7 4.404 0.653 2.378 1.00 0.00 C ATOM 40 CD GLU A 7 3.145 -0.196 2.244 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.856 -0.599 1.097 1.00 0.00 O ATOM 42 OE2 GLU A 7 2.491 -0.417 3.286 1.00 0.00 O ATOM 0 H GLU A 7 4.091 4.444 1.385 1.00 0.00 H new ATOM 0 HA GLU A 7 5.773 2.947 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.353 2.536 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.871 2.011 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.224 0.181 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.702 0.705 3.425 1.00 0.00 H new ATOM 49 N GLU A 8 6.496 2.583 -0.220 1.00 0.00 N ATOM 50 CA GLU A 8 7.542 2.146 -1.129 1.00 0.00 C ATOM 51 C GLU A 8 8.786 2.994 -0.879 1.00 0.00 C ATOM 52 O GLU A 8 9.878 2.469 -0.671 1.00 0.00 O ATOM 53 CB GLU A 8 7.086 2.305 -2.587 1.00 0.00 C ATOM 54 CG GLU A 8 5.806 1.528 -2.911 1.00 0.00 C ATOM 55 CD GLU A 8 5.333 1.871 -4.319 1.00 0.00 C ATOM 56 OE1 GLU A 8 5.888 1.277 -5.268 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.451 2.752 -4.418 1.00 0.00 O ATOM 0 H GLU A 8 5.707 3.037 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 8 7.763 1.093 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.923 3.362 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.884 1.968 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.990 0.457 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.029 1.773 -2.187 1.00 0.00 H new ATOM 64 N LEU A 9 8.602 4.314 -0.935 1.00 0.00 N ATOM 65 CA LEU A 9 9.681 5.287 -0.884 1.00 0.00 C ATOM 66 C LEU A 9 10.562 5.095 0.347 1.00 0.00 C ATOM 67 O LEU A 9 11.779 5.058 0.201 1.00 0.00 O ATOM 68 CB LEU A 9 9.109 6.710 -0.932 1.00 0.00 C ATOM 69 CG LEU A 9 8.380 7.048 -2.245 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.650 8.384 -2.087 1.00 0.00 C ATOM 71 CD2 LEU A 9 9.351 7.136 -3.426 1.00 0.00 C ATOM 0 H LEU A 9 7.679 4.739 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 9 10.315 5.131 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.417 6.841 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.921 7.422 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 9 7.670 6.248 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.132 8.628 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.926 8.309 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.372 9.168 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.798 7.376 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.089 7.915 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.858 6.179 -3.552 1.00 0.00 H new ATOM 83 N GLU A 10 9.985 4.985 1.548 1.00 0.00 N ATOM 84 CA GLU A 10 10.775 4.896 2.769 1.00 0.00 C ATOM 85 C GLU A 10 11.677 3.667 2.743 1.00 0.00 C ATOM 86 O GLU A 10 12.903 3.777 2.781 1.00 0.00 O ATOM 87 CB GLU A 10 9.883 4.952 4.019 1.00 0.00 C ATOM 88 CG GLU A 10 8.811 3.865 4.185 1.00 0.00 C ATOM 89 CD GLU A 10 7.754 4.300 5.197 1.00 0.00 C ATOM 90 OE1 GLU A 10 8.063 4.218 6.404 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.669 4.726 4.746 1.00 0.00 O ATOM 0 H GLU A 10 8.976 4.956 1.695 1.00 0.00 H new ATOM 0 HA GLU A 10 11.428 5.767 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.531 4.919 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.382 5.920 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.339 3.662 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.276 2.936 4.514 1.00 0.00 H new ATOM 98 N GLN A 11 11.045 2.500 2.657 1.00 0.00 N ATOM 99 CA GLN A 11 11.723 1.217 2.571 1.00 0.00 C ATOM 100 C GLN A 11 12.798 1.275 1.485 1.00 0.00 C ATOM 101 O GLN A 11 13.973 1.038 1.762 1.00 0.00 O ATOM 102 CB GLN A 11 10.712 0.092 2.295 1.00 0.00 C ATOM 103 CG GLN A 11 9.661 -0.060 3.404 1.00 0.00 C ATOM 104 CD GLN A 11 10.289 -0.285 4.774 1.00 0.00 C ATOM 105 OE1 GLN A 11 10.211 0.571 5.649 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.934 -1.430 4.972 1.00 0.00 N ATOM 0 H GLN A 11 10.028 2.422 2.645 1.00 0.00 H new ATOM 0 HA GLN A 11 12.206 1.000 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.207 0.289 1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.248 -0.850 2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.038 0.834 3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.005 -0.897 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.982 -2.124 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.380 -1.615 5.870 1.00 0.00 H new ATOM 115 N PHE A 12 12.400 1.630 0.261 1.00 0.00 N ATOM 116 CA PHE A 12 13.315 1.784 -0.859 1.00 0.00 C ATOM 117 C PHE A 12 14.510 2.657 -0.467 1.00 0.00 C ATOM 118 O PHE A 12 15.653 2.264 -0.660 1.00 0.00 O ATOM 119 CB PHE A 12 12.575 2.369 -2.070 1.00 0.00 C ATOM 120 CG PHE A 12 13.501 2.725 -3.213 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.917 1.735 -4.121 1.00 0.00 C ATOM 122 CD2 PHE A 12 14.106 3.993 -3.233 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.951 2.009 -5.032 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.158 4.258 -4.128 1.00 0.00 C ATOM 125 CZ PHE A 12 15.584 3.264 -5.024 1.00 0.00 C ATOM 0 H PHE A 12 11.426 1.819 0.024 1.00 0.00 H new ATOM 0 HA PHE A 12 13.699 0.802 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.835 1.649 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.030 3.261 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.442 0.765 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.763 4.765 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.260 1.254 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.638 5.225 -4.126 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.397 3.464 -5.706 1.00 0.00 H new ATOM 135 N ALA A 13 14.261 3.841 0.088 1.00 0.00 N ATOM 136 CA ALA A 13 15.301 4.803 0.406 1.00 0.00 C ATOM 137 C ALA A 13 16.283 4.244 1.440 1.00 0.00 C ATOM 138 O ALA A 13 17.497 4.264 1.230 1.00 0.00 O ATOM 139 CB ALA A 13 14.650 6.109 0.860 1.00 0.00 C ATOM 0 H ALA A 13 13.322 4.158 0.330 1.00 0.00 H new ATOM 0 HA ALA A 13 15.894 5.008 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.425 6.837 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.021 6.499 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.039 5.923 1.744 1.00 0.00 H new ATOM 145 N LYS A 14 15.772 3.704 2.549 1.00 0.00 N ATOM 146 CA LYS A 14 16.621 3.053 3.544 1.00 0.00 C ATOM 147 C LYS A 14 17.373 1.867 2.921 1.00 0.00 C ATOM 148 O LYS A 14 18.474 1.517 3.353 1.00 0.00 O ATOM 149 CB LYS A 14 15.793 2.602 4.758 1.00 0.00 C ATOM 150 CG LYS A 14 15.510 3.722 5.776 1.00 0.00 C ATOM 151 CD LYS A 14 14.425 4.708 5.319 1.00 0.00 C ATOM 152 CE LYS A 14 14.185 5.827 6.339 1.00 0.00 C ATOM 153 NZ LYS A 14 13.681 5.311 7.624 1.00 0.00 N ATOM 0 H LYS A 14 14.778 3.706 2.778 1.00 0.00 H new ATOM 0 HA LYS A 14 17.358 3.778 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.844 2.196 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.319 1.791 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.207 3.274 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.432 4.271 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.715 5.147 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.494 4.167 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.116 6.369 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.470 6.541 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.421 6.108 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.844 4.717 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.421 4.744 8.085 1.00 0.00 H new ATOM 167 N THR A 15 16.787 1.227 1.912 1.00 0.00 N ATOM 168 CA THR A 15 17.423 0.101 1.227 1.00 0.00 C ATOM 169 C THR A 15 18.554 0.618 0.342 1.00 0.00 C ATOM 170 O THR A 15 19.641 0.044 0.333 1.00 0.00 O ATOM 171 CB THR A 15 16.403 -0.752 0.461 1.00 0.00 C ATOM 172 OG1 THR A 15 15.427 -1.221 1.367 1.00 0.00 O ATOM 173 CG2 THR A 15 17.056 -1.974 -0.192 1.00 0.00 C ATOM 0 H THR A 15 15.866 1.470 1.547 1.00 0.00 H new ATOM 0 HA THR A 15 17.858 -0.569 1.968 1.00 0.00 H new ATOM 0 HB THR A 15 15.967 -0.126 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.731 -0.541 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.299 -2.550 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.822 -1.645 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.513 -2.597 0.577 1.00 0.00 H new ATOM 181 N PHE A 16 18.312 1.724 -0.366 1.00 0.00 N ATOM 182 CA PHE A 16 19.321 2.434 -1.129 1.00 0.00 C ATOM 183 C PHE A 16 20.507 2.718 -0.215 1.00 0.00 C ATOM 184 O PHE A 16 21.624 2.334 -0.540 1.00 0.00 O ATOM 185 CB PHE A 16 18.730 3.704 -1.761 1.00 0.00 C ATOM 186 CG PHE A 16 19.691 4.423 -2.686 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.573 5.400 -2.185 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.673 4.141 -4.063 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.432 6.090 -3.062 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.507 4.854 -4.937 1.00 0.00 C ATOM 191 CZ PHE A 16 21.414 5.802 -4.436 1.00 0.00 C ATOM 0 H PHE A 16 17.388 2.153 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 16 19.673 1.824 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.832 3.439 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.423 4.386 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.591 5.620 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.017 3.375 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 16 22.105 6.842 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.451 4.673 -6.000 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.095 6.307 -5.105 1.00 0.00 H new ATOM 201 N LYS A 17 20.258 3.319 0.952 1.00 0.00 N ATOM 202 CA LYS A 17 21.297 3.552 1.950 1.00 0.00 C ATOM 203 C LYS A 17 22.052 2.268 2.307 1.00 0.00 C ATOM 204 O LYS A 17 23.280 2.233 2.238 1.00 0.00 O ATOM 205 CB LYS A 17 20.689 4.239 3.177 1.00 0.00 C ATOM 206 CG LYS A 17 21.642 4.302 4.377 1.00 0.00 C ATOM 207 CD LYS A 17 21.082 5.254 5.443 1.00 0.00 C ATOM 208 CE LYS A 17 22.048 5.430 6.621 1.00 0.00 C ATOM 209 NZ LYS A 17 22.295 4.162 7.330 1.00 0.00 N ATOM 0 H LYS A 17 19.335 3.655 1.227 1.00 0.00 H new ATOM 0 HA LYS A 17 22.046 4.220 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.391 5.252 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.783 3.708 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.773 3.306 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.625 4.643 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.880 6.225 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.130 4.869 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.994 5.831 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.639 6.161 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.885 4.342 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.388 3.748 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.787 3.500 6.696 1.00 0.00 H new ATOM 223 N GLN A 18 21.340 1.219 2.720 1.00 0.00 N ATOM 224 CA GLN A 18 21.988 -0.029 3.111 1.00 0.00 C ATOM 225 C GLN A 18 22.879 -0.567 1.985 1.00 0.00 C ATOM 226 O GLN A 18 24.071 -0.798 2.194 1.00 0.00 O ATOM 227 CB GLN A 18 20.935 -1.050 3.548 1.00 0.00 C ATOM 228 CG GLN A 18 20.401 -0.699 4.944 1.00 0.00 C ATOM 229 CD GLN A 18 19.110 -1.448 5.243 1.00 0.00 C ATOM 230 OE1 GLN A 18 19.110 -2.469 5.920 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.998 -0.936 4.729 1.00 0.00 N ATOM 0 H GLN A 18 20.323 1.210 2.792 1.00 0.00 H new ATOM 0 HA GLN A 18 22.642 0.164 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.114 -1.066 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.370 -2.050 3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.151 -0.946 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.225 0.375 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.040 -0.084 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.102 -1.395 4.893 1.00 0.00 H new ATOM 240 N ARG A 19 22.321 -0.760 0.789 1.00 0.00 N ATOM 241 CA ARG A 19 23.086 -1.288 -0.333 1.00 0.00 C ATOM 242 C ARG A 19 24.256 -0.368 -0.679 1.00 0.00 C ATOM 243 O ARG A 19 25.374 -0.838 -0.847 1.00 0.00 O ATOM 244 CB ARG A 19 22.189 -1.533 -1.550 1.00 0.00 C ATOM 245 CG ARG A 19 21.188 -2.666 -1.282 1.00 0.00 C ATOM 246 CD ARG A 19 20.498 -3.121 -2.574 1.00 0.00 C ATOM 247 NE ARG A 19 21.459 -3.641 -3.559 1.00 0.00 N ATOM 248 CZ ARG A 19 22.062 -4.840 -3.507 1.00 0.00 C ATOM 249 NH1 ARG A 19 21.777 -5.700 -2.524 1.00 0.00 N ATOM 250 NH2 ARG A 19 22.955 -5.171 -4.444 1.00 0.00 N ATOM 0 H ARG A 19 21.344 -0.558 0.576 1.00 0.00 H new ATOM 0 HA ARG A 19 23.499 -2.251 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.650 -0.619 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.804 -1.784 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.706 -3.511 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.438 -2.329 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.765 -3.893 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.952 -2.283 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 19 21.687 -3.039 -4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.097 -5.447 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 19 22.239 -6.609 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.175 -4.515 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.417 -6.080 -4.410 1.00 0.00 H new ATOM 264 N ARG A 20 24.014 0.940 -0.761 1.00 0.00 N ATOM 265 CA ARG A 20 25.032 1.959 -0.973 1.00 0.00 C ATOM 266 C ARG A 20 26.218 1.751 -0.025 1.00 0.00 C ATOM 267 O ARG A 20 27.369 1.703 -0.464 1.00 0.00 O ATOM 268 CB ARG A 20 24.373 3.331 -0.776 1.00 0.00 C ATOM 269 CG ARG A 20 25.351 4.499 -0.780 1.00 0.00 C ATOM 270 CD ARG A 20 24.595 5.812 -0.578 1.00 0.00 C ATOM 271 NE ARG A 20 24.086 5.959 0.795 1.00 0.00 N ATOM 272 CZ ARG A 20 23.041 6.721 1.144 1.00 0.00 C ATOM 273 NH1 ARG A 20 22.325 7.345 0.210 1.00 0.00 N ATOM 274 NH2 ARG A 20 22.707 6.854 2.430 1.00 0.00 N ATOM 0 H ARG A 20 23.074 1.328 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 20 25.434 1.893 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.637 3.485 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.831 3.329 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.089 4.369 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.896 4.525 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.255 6.648 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.762 5.860 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 20 24.563 5.443 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.572 7.243 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.530 7.924 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.248 6.375 3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.911 7.435 2.693 1.00 0.00 H new ATOM 288 N ILE A 21 25.927 1.629 1.274 1.00 0.00 N ATOM 289 CA ILE A 21 26.940 1.383 2.290 1.00 0.00 C ATOM 290 C ILE A 21 27.657 0.061 2.001 1.00 0.00 C ATOM 291 O ILE A 21 28.883 0.045 1.940 1.00 0.00 O ATOM 292 CB ILE A 21 26.320 1.455 3.699 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.937 2.917 4.006 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.300 0.937 4.765 1.00 0.00 C ATOM 295 CD1 ILE A 21 25.017 3.047 5.223 1.00 0.00 C ATOM 0 H ILE A 21 24.979 1.699 1.645 1.00 0.00 H new ATOM 0 HA ILE A 21 27.700 2.164 2.257 1.00 0.00 H new ATOM 0 HB ILE A 21 25.433 0.822 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.844 3.497 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.443 3.349 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.834 1.000 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.556 -0.101 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.205 1.544 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.781 4.098 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 21 24.096 2.493 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.518 2.643 6.103 1.00 0.00 H new ATOM 307 N LYS A 22 26.924 -1.038 1.799 1.00 0.00 N ATOM 308 CA LYS A 22 27.539 -2.335 1.510 1.00 0.00 C ATOM 309 C LYS A 22 28.457 -2.278 0.281 1.00 0.00 C ATOM 310 O LYS A 22 29.534 -2.869 0.286 1.00 0.00 O ATOM 311 CB LYS A 22 26.464 -3.418 1.341 1.00 0.00 C ATOM 312 CG LYS A 22 25.698 -3.747 2.634 1.00 0.00 C ATOM 313 CD LYS A 22 26.568 -4.249 3.797 1.00 0.00 C ATOM 314 CE LYS A 22 27.441 -5.450 3.409 1.00 0.00 C ATOM 315 NZ LYS A 22 28.142 -6.003 4.581 1.00 0.00 N ATOM 0 H LYS A 22 25.905 -1.054 1.830 1.00 0.00 H new ATOM 0 HA LYS A 22 28.164 -2.595 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.752 -3.094 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.935 -4.328 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.164 -2.854 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.946 -4.504 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.208 -3.437 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.925 -4.527 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.820 -6.223 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 22 28.169 -5.145 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 28.724 -6.813 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.753 -5.271 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.445 -6.315 5.287 1.00 0.00 H new ATOM 329 N LEU A 23 28.044 -1.562 -0.765 1.00 0.00 N ATOM 330 CA LEU A 23 28.831 -1.351 -1.975 1.00 0.00 C ATOM 331 C LEU A 23 30.029 -0.426 -1.715 1.00 0.00 C ATOM 332 O LEU A 23 30.933 -0.348 -2.543 1.00 0.00 O ATOM 333 CB LEU A 23 27.936 -0.765 -3.078 1.00 0.00 C ATOM 334 CG LEU A 23 26.831 -1.721 -3.566 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.712 -0.943 -4.268 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.390 -2.772 -4.533 1.00 0.00 C ATOM 0 H LEU A 23 27.133 -1.104 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 23 29.224 -2.315 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.473 0.149 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.560 -0.485 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 23 26.430 -2.225 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.942 -1.637 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.275 -0.226 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.122 -0.411 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.585 -3.431 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.825 -2.274 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.158 -3.359 -4.029 1.00 0.00 H new ATOM 348 N GLY A 24 30.043 0.294 -0.589 1.00 0.00 N ATOM 349 CA GLY A 24 31.095 1.236 -0.246 1.00 0.00 C ATOM 350 C GLY A 24 30.993 2.525 -1.061 1.00 0.00 C ATOM 351 O GLY A 24 31.962 3.277 -1.148 1.00 0.00 O ATOM 0 H GLY A 24 29.309 0.232 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 24 31.038 1.473 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 24 32.067 0.773 -0.418 1.00 0.00 H new ATOM 355 N PHE A 25 29.820 2.815 -1.634 1.00 0.00 N ATOM 356 CA PHE A 25 29.628 4.032 -2.405 1.00 0.00 C ATOM 357 C PHE A 25 29.251 5.150 -1.445 1.00 0.00 C ATOM 358 O PHE A 25 28.090 5.315 -1.086 1.00 0.00 O ATOM 359 CB PHE A 25 28.600 3.817 -3.522 1.00 0.00 C ATOM 360 CG PHE A 25 29.049 2.872 -4.629 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.332 2.996 -5.202 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.154 1.919 -5.151 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.713 2.172 -6.276 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.533 1.101 -6.230 1.00 0.00 C ATOM 365 CZ PHE A 25 29.814 1.225 -6.790 1.00 0.00 C ATOM 0 H PHE A 25 28.994 2.219 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 25 30.550 4.316 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.682 3.428 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.357 4.783 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.025 3.728 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.169 1.815 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.699 2.268 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.838 0.377 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.107 0.593 -7.615 1.00 0.00 H new ATOM 413 N ASP A 29 30.462 9.685 -3.566 1.00 0.00 N ATOM 414 CA ASP A 29 30.618 8.839 -4.739 1.00 0.00 C ATOM 415 C ASP A 29 29.262 8.737 -5.429 1.00 0.00 C ATOM 416 O ASP A 29 29.175 8.918 -6.641 1.00 0.00 O ATOM 417 CB ASP A 29 31.138 7.453 -4.349 1.00 0.00 C ATOM 418 CG ASP A 29 31.163 6.527 -5.561 1.00 0.00 C ATOM 419 OD1 ASP A 29 30.085 5.976 -5.870 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.256 6.387 -6.149 1.00 0.00 O ATOM 0 HA ASP A 29 31.351 9.275 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 29 32.141 7.540 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.504 7.026 -3.572 1.00 0.00 H new ATOM 425 N VAL A 30 28.200 8.496 -4.649 1.00 0.00 N ATOM 426 CA VAL A 30 26.847 8.557 -5.186 1.00 0.00 C ATOM 427 C VAL A 30 26.638 9.896 -5.892 1.00 0.00 C ATOM 428 O VAL A 30 26.299 9.899 -7.067 1.00 0.00 O ATOM 429 CB VAL A 30 25.786 8.281 -4.106 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.366 8.508 -4.646 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.886 6.823 -3.646 1.00 0.00 C ATOM 0 H VAL A 30 28.256 8.261 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 30 26.723 7.764 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 30 25.972 8.967 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.640 8.305 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.263 9.542 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.185 7.839 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.134 6.630 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.718 6.161 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.878 6.639 -3.234 1.00 0.00 H new ATOM 441 N GLY A 31 26.868 11.022 -5.211 1.00 0.00 N ATOM 442 CA GLY A 31 26.737 12.347 -5.809 1.00 0.00 C ATOM 443 C GLY A 31 27.417 12.429 -7.180 1.00 0.00 C ATOM 444 O GLY A 31 26.810 12.865 -8.158 1.00 0.00 O ATOM 0 H GLY A 31 27.150 11.037 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.681 12.595 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.175 13.090 -5.142 1.00 0.00 H new ATOM 448 N LEU A 32 28.671 11.979 -7.258 1.00 0.00 N ATOM 449 CA LEU A 32 29.448 11.969 -8.491 1.00 0.00 C ATOM 450 C LEU A 32 28.770 11.116 -9.562 1.00 0.00 C ATOM 451 O LEU A 32 28.540 11.568 -10.680 1.00 0.00 O ATOM 452 CB LEU A 32 30.857 11.444 -8.186 1.00 0.00 C ATOM 453 CG LEU A 32 31.868 11.640 -9.327 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.176 13.122 -9.577 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.168 10.910 -8.970 1.00 0.00 C ATOM 0 H LEU A 32 29.178 11.608 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 32 29.515 12.984 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.233 11.945 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.793 10.381 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 32 31.429 11.234 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.895 13.212 -10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.257 13.644 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.595 13.564 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.892 11.043 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.573 11.320 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.964 9.847 -8.837 1.00 0.00 H new ATOM 467 N ALA A 33 28.477 9.865 -9.225 1.00 0.00 N ATOM 468 CA ALA A 33 27.898 8.895 -10.144 1.00 0.00 C ATOM 469 C ALA A 33 26.532 9.362 -10.666 1.00 0.00 C ATOM 470 O ALA A 33 26.285 9.352 -11.869 1.00 0.00 O ATOM 471 CB ALA A 33 27.827 7.537 -9.447 1.00 0.00 C ATOM 0 H ALA A 33 28.638 9.491 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 33 28.533 8.799 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.395 6.802 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.831 7.222 -9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.205 7.618 -8.556 1.00 0.00 H new ATOM 477 N MET A 34 25.653 9.802 -9.765 1.00 0.00 N ATOM 478 CA MET A 34 24.401 10.487 -10.074 1.00 0.00 C ATOM 479 C MET A 34 24.676 11.649 -11.027 1.00 0.00 C ATOM 480 O MET A 34 23.982 11.816 -12.026 1.00 0.00 O ATOM 481 CB MET A 34 23.793 10.987 -8.760 1.00 0.00 C ATOM 482 CG MET A 34 23.287 9.814 -7.896 1.00 0.00 C ATOM 483 SD MET A 34 22.056 8.713 -8.624 1.00 0.00 S ATOM 484 CE MET A 34 20.796 9.931 -8.963 1.00 0.00 C ATOM 0 H MET A 34 25.801 9.686 -8.762 1.00 0.00 H new ATOM 0 HA MET A 34 23.700 9.810 -10.562 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.539 11.556 -8.205 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.968 11.667 -8.974 1.00 0.00 H new ATOM 0 HG2 MET A 34 24.149 9.212 -7.609 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.868 10.228 -6.979 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.950 9.452 -9.455 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.464 10.382 -8.027 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.204 10.705 -9.614 1.00 0.00 H new ATOM 494 N GLY A 35 25.709 12.431 -10.717 1.00 0.00 N ATOM 495 CA GLY A 35 26.294 13.437 -11.590 1.00 0.00 C ATOM 496 C GLY A 35 26.486 12.915 -13.010 1.00 0.00 C ATOM 497 O GLY A 35 25.958 13.490 -13.957 1.00 0.00 O ATOM 0 H GLY A 35 26.177 12.375 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.652 14.318 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.256 13.753 -11.186 1.00 0.00 H new ATOM 501 N LYS A 36 27.246 11.828 -13.155 1.00 0.00 N ATOM 502 CA LYS A 36 27.512 11.225 -14.456 1.00 0.00 C ATOM 503 C LYS A 36 26.212 10.792 -15.146 1.00 0.00 C ATOM 504 O LYS A 36 26.018 11.095 -16.321 1.00 0.00 O ATOM 505 CB LYS A 36 28.496 10.048 -14.342 1.00 0.00 C ATOM 506 CG LYS A 36 29.972 10.467 -14.422 1.00 0.00 C ATOM 507 CD LYS A 36 30.425 11.298 -13.215 1.00 0.00 C ATOM 508 CE LYS A 36 31.900 11.703 -13.322 1.00 0.00 C ATOM 509 NZ LYS A 36 32.801 10.540 -13.234 1.00 0.00 N ATOM 0 H LYS A 36 27.692 11.345 -12.375 1.00 0.00 H new ATOM 0 HA LYS A 36 27.981 11.988 -15.077 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.324 9.533 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.287 9.333 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.594 9.575 -14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.132 11.043 -15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.807 12.193 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.271 10.725 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.066 12.219 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.141 12.409 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.786 10.868 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.569 9.984 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.685 9.946 -14.080 1.00 0.00 H new ATOM 523 N LEU A 37 25.341 10.054 -14.450 1.00 0.00 N ATOM 524 CA LEU A 37 24.132 9.523 -15.070 1.00 0.00 C ATOM 525 C LEU A 37 23.172 10.639 -15.488 1.00 0.00 C ATOM 526 O LEU A 37 22.646 10.612 -16.599 1.00 0.00 O ATOM 527 CB LEU A 37 23.396 8.542 -14.144 1.00 0.00 C ATOM 528 CG LEU A 37 24.172 7.276 -13.746 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.192 6.302 -13.079 1.00 0.00 C ATOM 530 CD2 LEU A 37 24.831 6.575 -14.940 1.00 0.00 C ATOM 0 H LEU A 37 25.453 9.814 -13.465 1.00 0.00 H new ATOM 0 HA LEU A 37 24.459 8.986 -15.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.116 9.073 -13.234 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.470 8.238 -14.633 1.00 0.00 H new ATOM 0 HG LEU A 37 24.972 7.577 -13.070 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.722 5.395 -12.788 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.760 6.770 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.397 6.048 -13.780 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.363 5.689 -14.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.065 6.281 -15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.534 7.256 -15.419 1.00 0.00 H new ATOM 542 N TYR A 38 22.890 11.571 -14.574 1.00 0.00 N ATOM 543 CA TYR A 38 21.836 12.569 -14.719 1.00 0.00 C ATOM 544 C TYR A 38 22.345 13.971 -14.371 1.00 0.00 C ATOM 545 O TYR A 38 22.183 14.906 -15.152 1.00 0.00 O ATOM 546 CB TYR A 38 20.645 12.209 -13.811 1.00 0.00 C ATOM 547 CG TYR A 38 20.295 10.735 -13.666 1.00 0.00 C ATOM 548 CD1 TYR A 38 19.993 9.947 -14.792 1.00 0.00 C ATOM 549 CD2 TYR A 38 20.117 10.196 -12.379 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.565 8.618 -14.620 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.507 8.940 -12.211 1.00 0.00 C ATOM 552 CZ TYR A 38 19.314 8.118 -13.332 1.00 0.00 C ATOM 553 OH TYR A 38 18.815 6.864 -13.176 1.00 0.00 O ATOM 0 H TYR A 38 23.401 11.652 -13.695 1.00 0.00 H new ATOM 0 HA TYR A 38 21.516 12.572 -15.761 1.00 0.00 H new ATOM 0 HB2 TYR A 38 20.848 12.606 -12.816 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.764 12.729 -14.189 1.00 0.00 H new ATOM 0 HD1 TYR A 38 20.089 10.361 -15.785 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.451 10.750 -11.514 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.429 7.980 -15.481 1.00 0.00 H new ATOM 0 HE2 TYR A 38 19.191 8.612 -11.232 1.00 0.00 H new ATOM 0 HH TYR A 38 18.594 6.715 -12.233 1.00 0.00 H new ATOM 563 N GLY A 39 22.897 14.127 -13.167 1.00 0.00 N ATOM 564 CA GLY A 39 23.241 15.408 -12.574 1.00 0.00 C ATOM 565 C GLY A 39 23.293 15.242 -11.055 1.00 0.00 C ATOM 566 O GLY A 39 22.503 14.486 -10.489 1.00 0.00 O ATOM 0 H GLY A 39 23.122 13.336 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.204 15.753 -12.950 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.503 16.162 -12.847 1.00 0.00 H new ATOM 570 N ASN A 40 24.237 15.906 -10.380 1.00 0.00 N ATOM 571 CA ASN A 40 24.438 15.710 -8.951 1.00 0.00 C ATOM 572 C ASN A 40 23.418 16.533 -8.180 1.00 0.00 C ATOM 573 O ASN A 40 23.747 17.552 -7.577 1.00 0.00 O ATOM 574 CB ASN A 40 25.867 16.026 -8.492 1.00 0.00 C ATOM 575 CG ASN A 40 26.001 15.859 -6.971 1.00 0.00 C ATOM 576 OD1 ASN A 40 25.130 15.299 -6.299 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.076 16.380 -6.391 1.00 0.00 N ATOM 0 H ASN A 40 24.871 16.583 -10.805 1.00 0.00 H new ATOM 0 HA ASN A 40 24.290 14.651 -8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.571 15.365 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.127 17.046 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.189 16.320 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 40 27.789 16.840 -6.957 1.00 0.00 H new ATOM 584 N ASP A 41 22.181 16.050 -8.183 1.00 0.00 N ATOM 585 CA ASP A 41 21.137 16.546 -7.295 1.00 0.00 C ATOM 586 C ASP A 41 21.023 15.614 -6.083 1.00 0.00 C ATOM 587 O ASP A 41 19.977 15.542 -5.444 1.00 0.00 O ATOM 588 CB ASP A 41 19.817 16.693 -8.071 1.00 0.00 C ATOM 589 CG ASP A 41 18.706 17.332 -7.239 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.002 18.345 -6.568 1.00 0.00 O ATOM 591 OD2 ASP A 41 17.572 16.807 -7.305 1.00 0.00 O ATOM 0 H ASP A 41 21.873 15.301 -8.803 1.00 0.00 H new ATOM 0 HA ASP A 41 21.388 17.538 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.990 17.297 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.490 15.710 -8.411 1.00 0.00 H new ATOM 596 N PHE A 42 22.107 14.911 -5.725 1.00 0.00 N ATOM 597 CA PHE A 42 22.066 13.812 -4.760 1.00 0.00 C ATOM 598 C PHE A 42 23.311 13.836 -3.889 1.00 0.00 C ATOM 599 O PHE A 42 23.914 12.802 -3.610 1.00 0.00 O ATOM 600 CB PHE A 42 21.953 12.483 -5.505 1.00 0.00 C ATOM 601 CG PHE A 42 20.845 12.475 -6.539 1.00 0.00 C ATOM 602 CD1 PHE A 42 21.089 13.017 -7.814 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.541 12.084 -6.190 1.00 0.00 C ATOM 604 CE1 PHE A 42 20.052 13.135 -8.753 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.509 12.182 -7.140 1.00 0.00 C ATOM 606 CZ PHE A 42 18.754 12.735 -8.406 1.00 0.00 C ATOM 0 H PHE A 42 23.038 15.092 -6.100 1.00 0.00 H new ATOM 0 HA PHE A 42 21.196 13.928 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.902 12.266 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 42 21.776 11.684 -4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 42 22.085 13.346 -8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.333 11.711 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.253 13.532 -9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.519 11.828 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.945 12.852 -9.111 1.00 0.00 H new ATOM 616 N SER A 43 23.686 15.037 -3.464 1.00 0.00 N ATOM 617 CA SER A 43 24.706 15.202 -2.452 1.00 0.00 C ATOM 618 C SER A 43 24.054 14.939 -1.093 1.00 0.00 C ATOM 619 O SER A 43 22.841 14.735 -1.007 1.00 0.00 O ATOM 620 CB SER A 43 25.318 16.595 -2.599 1.00 0.00 C ATOM 621 OG SER A 43 25.916 16.670 -3.882 1.00 0.00 O ATOM 0 H SER A 43 23.292 15.912 -3.811 1.00 0.00 H new ATOM 0 HA SER A 43 25.531 14.497 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.552 17.363 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.060 16.771 -1.820 1.00 0.00 H new ATOM 0 HG SER A 43 25.459 16.054 -4.492 1.00 0.00 H new ATOM 627 N GLN A 44 24.866 14.913 -0.035 1.00 0.00 N ATOM 628 CA GLN A 44 24.441 14.508 1.300 1.00 0.00 C ATOM 629 C GLN A 44 23.125 15.175 1.705 1.00 0.00 C ATOM 630 O GLN A 44 22.226 14.503 2.202 1.00 0.00 O ATOM 631 CB GLN A 44 25.566 14.791 2.304 1.00 0.00 C ATOM 632 CG GLN A 44 26.760 13.871 2.010 1.00 0.00 C ATOM 633 CD GLN A 44 27.969 14.122 2.902 1.00 0.00 C ATOM 634 OE1 GLN A 44 27.912 14.882 3.862 1.00 0.00 O ATOM 635 NE2 GLN A 44 29.082 13.474 2.575 1.00 0.00 N ATOM 0 H GLN A 44 25.850 15.177 -0.085 1.00 0.00 H new ATOM 0 HA GLN A 44 24.245 13.436 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 44 25.873 15.835 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.210 14.628 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.444 12.834 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.056 13.999 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 44 29.090 12.850 1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 44 29.928 13.601 3.130 1.00 0.00 H new ATOM 644 N THR A 45 22.999 16.477 1.448 1.00 0.00 N ATOM 645 CA THR A 45 21.798 17.261 1.669 1.00 0.00 C ATOM 646 C THR A 45 20.553 16.582 1.086 1.00 0.00 C ATOM 647 O THR A 45 19.648 16.194 1.828 1.00 0.00 O ATOM 648 CB THR A 45 22.032 18.638 1.029 1.00 0.00 C ATOM 649 OG1 THR A 45 22.669 18.455 -0.227 1.00 0.00 O ATOM 650 CG2 THR A 45 22.943 19.498 1.909 1.00 0.00 C ATOM 0 H THR A 45 23.765 17.030 1.065 1.00 0.00 H new ATOM 0 HA THR A 45 21.609 17.359 2.738 1.00 0.00 H new ATOM 0 HB THR A 45 21.070 19.138 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.822 19.327 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.095 20.468 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.479 19.639 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.905 19.000 2.033 1.00 0.00 H new ATOM 658 N THR A 46 20.485 16.467 -0.241 1.00 0.00 N ATOM 659 CA THR A 46 19.317 15.969 -0.949 1.00 0.00 C ATOM 660 C THR A 46 19.105 14.475 -0.700 1.00 0.00 C ATOM 661 O THR A 46 17.974 14.034 -0.505 1.00 0.00 O ATOM 662 CB THR A 46 19.449 16.287 -2.441 1.00 0.00 C ATOM 663 OG1 THR A 46 20.785 16.116 -2.862 1.00 0.00 O ATOM 664 CG2 THR A 46 19.046 17.733 -2.734 1.00 0.00 C ATOM 0 H THR A 46 21.255 16.723 -0.859 1.00 0.00 H new ATOM 0 HA THR A 46 18.430 16.473 -0.566 1.00 0.00 H new ATOM 0 HB THR A 46 18.789 15.605 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.250 16.978 -2.833 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.150 17.931 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.010 17.890 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.691 18.411 -2.175 1.00 0.00 H new ATOM 672 N ILE A 47 20.179 13.685 -0.682 1.00 0.00 N ATOM 673 CA ILE A 47 20.070 12.259 -0.391 1.00 0.00 C ATOM 674 C ILE A 47 19.504 12.047 1.018 1.00 0.00 C ATOM 675 O ILE A 47 18.586 11.247 1.207 1.00 0.00 O ATOM 676 CB ILE A 47 21.416 11.560 -0.674 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.402 10.944 -2.081 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.847 10.539 0.384 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.570 9.663 -2.220 1.00 0.00 C ATOM 0 H ILE A 47 21.129 14.008 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 47 19.352 11.780 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 47 22.177 12.339 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.019 11.686 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.428 10.726 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.803 10.101 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.949 11.036 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.096 9.753 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.622 9.305 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.963 8.899 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.532 9.873 -1.962 1.00 0.00 H new ATOM 691 N SER A 48 19.996 12.805 2.001 1.00 0.00 N ATOM 692 CA SER A 48 19.375 12.820 3.322 1.00 0.00 C ATOM 693 C SER A 48 17.912 13.260 3.225 1.00 0.00 C ATOM 694 O SER A 48 17.046 12.637 3.828 1.00 0.00 O ATOM 695 CB SER A 48 20.147 13.707 4.301 1.00 0.00 C ATOM 696 OG SER A 48 21.466 13.224 4.451 1.00 0.00 O ATOM 0 H SER A 48 20.813 13.409 1.907 1.00 0.00 H new ATOM 0 HA SER A 48 19.406 11.803 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.166 14.734 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 48 19.643 13.721 5.268 1.00 0.00 H new ATOM 0 HG SER A 48 22.021 13.553 3.713 1.00 0.00 H new ATOM 702 N ARG A 49 17.622 14.316 2.461 1.00 0.00 N ATOM 703 CA ARG A 49 16.262 14.816 2.255 1.00 0.00 C ATOM 704 C ARG A 49 15.328 13.704 1.759 1.00 0.00 C ATOM 705 O ARG A 49 14.176 13.618 2.185 1.00 0.00 O ATOM 706 CB ARG A 49 16.305 16.000 1.268 1.00 0.00 C ATOM 707 CG ARG A 49 15.289 17.125 1.497 1.00 0.00 C ATOM 708 CD ARG A 49 15.757 18.158 2.535 1.00 0.00 C ATOM 709 NE ARG A 49 15.698 17.662 3.917 1.00 0.00 N ATOM 710 CZ ARG A 49 16.720 17.223 4.666 1.00 0.00 C ATOM 711 NH1 ARG A 49 17.944 17.035 4.157 1.00 0.00 N ATOM 712 NH2 ARG A 49 16.482 16.967 5.955 1.00 0.00 N ATOM 0 H ARG A 49 18.332 14.853 1.963 1.00 0.00 H new ATOM 0 HA ARG A 49 15.859 15.161 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.305 16.433 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.158 15.609 0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.097 17.631 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.344 16.692 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.781 18.454 2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.140 19.052 2.451 1.00 0.00 H new ATOM 0 HE ARG A 49 14.777 17.650 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.121 17.227 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.699 16.700 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.547 17.107 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.235 16.632 6.556 1.00 0.00 H new ATOM 726 N PHE A 50 15.832 12.855 0.858 1.00 0.00 N ATOM 727 CA PHE A 50 15.130 11.686 0.350 1.00 0.00 C ATOM 728 C PHE A 50 14.925 10.653 1.452 1.00 0.00 C ATOM 729 O PHE A 50 13.796 10.296 1.774 1.00 0.00 O ATOM 730 CB PHE A 50 15.927 11.073 -0.805 1.00 0.00 C ATOM 731 CG PHE A 50 15.275 9.867 -1.451 1.00 0.00 C ATOM 732 CD1 PHE A 50 14.003 9.981 -2.040 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.952 8.634 -1.490 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.441 8.892 -2.727 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.370 7.532 -2.138 1.00 0.00 C ATOM 736 CZ PHE A 50 14.127 7.669 -2.780 1.00 0.00 C ATOM 0 H PHE A 50 16.762 12.970 0.456 1.00 0.00 H new ATOM 0 HA PHE A 50 14.149 11.996 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.083 11.837 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.911 10.784 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.456 10.909 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.920 8.535 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.482 8.996 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.878 6.579 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.700 6.833 -3.314 1.00 0.00 H new ATOM 746 N GLU A 51 16.020 10.160 2.028 1.00 0.00 N ATOM 747 CA GLU A 51 15.955 9.107 3.043 1.00 0.00 C ATOM 748 C GLU A 51 15.192 9.537 4.306 1.00 0.00 C ATOM 749 O GLU A 51 14.609 8.688 4.974 1.00 0.00 O ATOM 750 CB GLU A 51 17.358 8.557 3.336 1.00 0.00 C ATOM 751 CG GLU A 51 17.800 7.587 2.222 1.00 0.00 C ATOM 752 CD GLU A 51 19.297 7.657 1.942 1.00 0.00 C ATOM 753 OE1 GLU A 51 20.073 7.797 2.913 1.00 0.00 O ATOM 754 OE2 GLU A 51 19.646 7.582 0.745 1.00 0.00 O ATOM 0 H GLU A 51 16.966 10.473 1.809 1.00 0.00 H new ATOM 0 HA GLU A 51 15.364 8.287 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.069 9.380 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.360 8.042 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.535 6.569 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.252 7.816 1.308 1.00 0.00 H new ATOM 761 N ALA A 52 15.148 10.837 4.616 1.00 0.00 N ATOM 762 CA ALA A 52 14.334 11.389 5.696 1.00 0.00 C ATOM 763 C ALA A 52 12.933 11.785 5.209 1.00 0.00 C ATOM 764 O ALA A 52 12.190 12.436 5.942 1.00 0.00 O ATOM 765 CB ALA A 52 15.060 12.594 6.301 1.00 0.00 C ATOM 0 H ALA A 52 15.686 11.543 4.114 1.00 0.00 H new ATOM 0 HA ALA A 52 14.197 10.621 6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.459 13.013 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.026 12.277 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.212 13.351 5.532 1.00 0.00 H new ATOM 771 N LEU A 53 12.581 11.438 3.967 1.00 0.00 N ATOM 772 CA LEU A 53 11.323 11.746 3.299 1.00 0.00 C ATOM 773 C LEU A 53 10.866 13.188 3.517 1.00 0.00 C ATOM 774 O LEU A 53 9.675 13.482 3.536 1.00 0.00 O ATOM 775 CB LEU A 53 10.237 10.726 3.660 1.00 0.00 C ATOM 776 CG LEU A 53 10.661 9.292 3.298 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.142 8.543 4.548 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.465 8.539 2.696 1.00 0.00 C ATOM 0 H LEU A 53 13.209 10.902 3.369 1.00 0.00 H new ATOM 0 HA LEU A 53 11.508 11.660 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.024 10.784 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.314 10.976 3.136 1.00 0.00 H new ATOM 0 HG LEU A 53 11.475 9.343 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.438 7.530 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.995 9.066 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.335 8.500 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.766 7.523 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.654 8.504 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.126 9.054 1.797 1.00 0.00 H new ATOM 790 N ASN A 54 11.816 14.120 3.562 1.00 0.00 N ATOM 791 CA ASN A 54 11.509 15.533 3.741 1.00 0.00 C ATOM 792 C ASN A 54 10.982 16.050 2.403 1.00 0.00 C ATOM 793 O ASN A 54 10.061 16.863 2.349 1.00 0.00 O ATOM 794 CB ASN A 54 12.776 16.282 4.171 1.00 0.00 C ATOM 795 CG ASN A 54 13.105 16.206 5.662 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.723 17.124 6.195 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.752 15.129 6.359 1.00 0.00 N ATOM 0 H ASN A 54 12.812 13.917 3.476 1.00 0.00 H new ATOM 0 HA ASN A 54 10.760 15.688 4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.621 15.885 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.671 17.330 3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.994 15.059 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.239 14.373 5.905 1.00 0.00 H new ATOM 804 N LEU A 55 11.495 15.484 1.306 1.00 0.00 N ATOM 805 CA LEU A 55 10.947 15.677 -0.031 1.00 0.00 C ATOM 806 C LEU A 55 9.468 15.251 -0.121 1.00 0.00 C ATOM 807 O LEU A 55 8.792 15.606 -1.090 1.00 0.00 O ATOM 808 CB LEU A 55 11.803 14.903 -1.040 1.00 0.00 C ATOM 809 CG LEU A 55 13.248 15.407 -1.184 1.00 0.00 C ATOM 810 CD1 LEU A 55 13.991 14.513 -2.182 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.319 16.859 -1.672 1.00 0.00 C ATOM 0 H LEU A 55 12.311 14.873 1.327 1.00 0.00 H new ATOM 0 HA LEU A 55 10.976 16.741 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.827 13.854 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.319 14.948 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 55 13.709 15.367 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.017 14.863 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.995 13.486 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.490 14.553 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.362 17.164 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.838 16.939 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.808 17.507 -0.960 1.00 0.00 H new ATOM 823 N SER A 56 8.951 14.506 0.868 1.00 0.00 N ATOM 824 CA SER A 56 7.537 14.209 1.065 1.00 0.00 C ATOM 825 C SER A 56 6.968 13.214 0.047 1.00 0.00 C ATOM 826 O SER A 56 6.570 12.116 0.426 1.00 0.00 O ATOM 827 CB SER A 56 6.720 15.506 1.156 1.00 0.00 C ATOM 828 OG SER A 56 7.272 16.383 2.125 1.00 0.00 O ATOM 0 H SER A 56 9.541 14.078 1.582 1.00 0.00 H new ATOM 0 HA SER A 56 7.451 13.693 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.700 15.998 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.687 15.273 1.416 1.00 0.00 H new ATOM 0 HG SER A 56 8.222 16.527 1.932 1.00 0.00 H new ATOM 834 N PHE A 57 6.902 13.591 -1.234 1.00 0.00 N ATOM 835 CA PHE A 57 6.393 12.732 -2.302 1.00 0.00 C ATOM 836 C PHE A 57 6.694 13.346 -3.671 1.00 0.00 C ATOM 837 O PHE A 57 7.261 12.697 -4.549 1.00 0.00 O ATOM 838 CB PHE A 57 4.884 12.478 -2.159 1.00 0.00 C ATOM 839 CG PHE A 57 4.368 11.492 -3.189 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.650 10.124 -3.029 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.764 11.945 -4.378 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.343 9.211 -4.051 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.444 11.029 -5.397 1.00 0.00 C ATOM 844 CZ PHE A 57 3.734 9.663 -5.235 1.00 0.00 C ATOM 0 H PHE A 57 7.204 14.510 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 57 6.902 11.772 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.675 12.099 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.347 13.421 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.105 9.773 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.547 12.995 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.574 8.163 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.975 11.376 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.489 8.962 -6.019 1.00 0.00 H new ATOM 854 N LYS A 58 6.297 14.613 -3.829 1.00 0.00 N ATOM 855 CA LYS A 58 6.349 15.386 -5.066 1.00 0.00 C ATOM 856 C LYS A 58 7.601 15.102 -5.907 1.00 0.00 C ATOM 857 O LYS A 58 7.501 14.704 -7.064 1.00 0.00 O ATOM 858 CB LYS A 58 6.171 16.879 -4.727 1.00 0.00 C ATOM 859 CG LYS A 58 7.205 17.431 -3.728 1.00 0.00 C ATOM 860 CD LYS A 58 6.734 18.756 -3.117 1.00 0.00 C ATOM 861 CE LYS A 58 7.771 19.313 -2.131 1.00 0.00 C ATOM 862 NZ LYS A 58 7.950 18.444 -0.950 1.00 0.00 N ATOM 0 H LYS A 58 5.911 15.152 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 58 5.527 15.072 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.229 17.458 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.172 17.030 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.374 16.702 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.159 17.580 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.556 19.482 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.784 18.605 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.727 19.429 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.461 20.306 -1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.582 18.911 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.027 18.270 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.368 17.539 -1.245 1.00 0.00 H new ATOM 876 N ASN A 59 8.782 15.299 -5.318 1.00 0.00 N ATOM 877 CA ASN A 59 10.053 15.056 -5.987 1.00 0.00 C ATOM 878 C ASN A 59 10.404 13.573 -5.926 1.00 0.00 C ATOM 879 O ASN A 59 10.849 12.973 -6.905 1.00 0.00 O ATOM 880 CB ASN A 59 11.146 15.868 -5.296 1.00 0.00 C ATOM 881 CG ASN A 59 12.412 15.884 -6.144 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.162 14.918 -6.150 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.660 16.968 -6.873 1.00 0.00 N ATOM 0 H ASN A 59 8.880 15.633 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 59 9.972 15.356 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.800 16.888 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.362 15.440 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.495 17.009 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.016 17.758 -6.847 1.00 0.00 H new ATOM 890 N MET A 60 10.194 13.001 -4.738 1.00 0.00 N ATOM 891 CA MET A 60 10.480 11.608 -4.418 1.00 0.00 C ATOM 892 C MET A 60 10.034 10.655 -5.522 1.00 0.00 C ATOM 893 O MET A 60 10.746 9.712 -5.850 1.00 0.00 O ATOM 894 CB MET A 60 9.821 11.175 -3.114 1.00 0.00 C ATOM 895 CG MET A 60 10.247 12.024 -1.918 1.00 0.00 C ATOM 896 SD MET A 60 9.879 11.291 -0.306 1.00 0.00 S ATOM 897 CE MET A 60 11.119 9.979 -0.283 1.00 0.00 C ATOM 0 H MET A 60 9.807 13.516 -3.948 1.00 0.00 H new ATOM 0 HA MET A 60 11.564 11.553 -4.315 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.738 11.231 -3.225 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.068 10.132 -2.918 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.319 12.207 -1.983 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.753 12.994 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.829 9.217 0.440 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.192 9.530 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.086 10.397 -0.002 1.00 0.00 H new ATOM 907 N CYS A 61 8.849 10.882 -6.084 1.00 0.00 N ATOM 908 CA CYS A 61 8.303 9.989 -7.097 1.00 0.00 C ATOM 909 C CYS A 61 9.152 9.929 -8.373 1.00 0.00 C ATOM 910 O CYS A 61 9.049 8.962 -9.121 1.00 0.00 O ATOM 911 CB CYS A 61 6.859 10.391 -7.407 1.00 0.00 C ATOM 912 SG CYS A 61 6.066 9.094 -8.390 1.00 0.00 S ATOM 0 H CYS A 61 8.251 11.676 -5.854 1.00 0.00 H new ATOM 0 HA CYS A 61 8.321 8.979 -6.688 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.307 10.548 -6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.842 11.335 -7.951 1.00 0.00 H new ATOM 0 HG CYS A 61 6.961 8.488 -9.112 1.00 0.00 H new ATOM 917 N LYS A 62 9.985 10.942 -8.635 1.00 0.00 N ATOM 918 CA LYS A 62 10.998 10.918 -9.687 1.00 0.00 C ATOM 919 C LYS A 62 12.316 10.380 -9.116 1.00 0.00 C ATOM 920 O LYS A 62 12.954 9.500 -9.698 1.00 0.00 O ATOM 921 CB LYS A 62 11.186 12.325 -10.276 1.00 0.00 C ATOM 922 CG LYS A 62 9.885 12.920 -10.834 1.00 0.00 C ATOM 923 CD LYS A 62 9.175 13.828 -9.816 1.00 0.00 C ATOM 924 CE LYS A 62 7.902 14.452 -10.400 1.00 0.00 C ATOM 925 NZ LYS A 62 6.860 13.440 -10.648 1.00 0.00 N ATOM 0 H LYS A 62 9.971 11.816 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 62 10.671 10.259 -10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.580 12.986 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.931 12.284 -11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.107 13.492 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.215 12.112 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.922 13.249 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.855 14.619 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.519 15.207 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.142 14.962 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.987 13.910 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.184 12.782 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.673 12.913 -9.771 1.00 0.00 H new ATOM 939 N LEU A 63 12.696 10.917 -7.952 1.00 0.00 N ATOM 940 CA LEU A 63 13.879 10.550 -7.178 1.00 0.00 C ATOM 941 C LEU A 63 14.032 9.016 -7.126 1.00 0.00 C ATOM 942 O LEU A 63 15.089 8.479 -7.452 1.00 0.00 O ATOM 943 CB LEU A 63 13.704 11.150 -5.768 1.00 0.00 C ATOM 944 CG LEU A 63 14.927 11.522 -4.915 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.970 10.410 -4.904 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.547 12.847 -5.370 1.00 0.00 C ATOM 0 H LEU A 63 12.156 11.658 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 63 14.787 10.940 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.102 12.052 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.113 10.440 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 63 14.572 11.651 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.818 10.713 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.530 9.502 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.309 10.219 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.409 13.079 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.865 12.762 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.809 13.644 -5.280 1.00 0.00 H new ATOM 958 N LYS A 64 12.971 8.306 -6.720 1.00 0.00 N ATOM 959 CA LYS A 64 13.011 6.867 -6.503 1.00 0.00 C ATOM 960 C LYS A 64 13.352 6.100 -7.785 1.00 0.00 C ATOM 961 O LYS A 64 14.352 5.390 -7.771 1.00 0.00 O ATOM 962 CB LYS A 64 11.753 6.379 -5.768 1.00 0.00 C ATOM 963 CG LYS A 64 11.792 4.867 -5.471 1.00 0.00 C ATOM 964 CD LYS A 64 10.896 4.008 -6.376 1.00 0.00 C ATOM 965 CE LYS A 64 9.406 4.199 -6.058 1.00 0.00 C ATOM 966 NZ LYS A 64 8.570 3.275 -6.844 1.00 0.00 N ATOM 0 H LYS A 64 12.059 8.723 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 64 13.838 6.641 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.647 6.927 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.873 6.605 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.821 4.519 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.496 4.707 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.080 4.266 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.161 2.957 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.234 4.033 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.115 5.228 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.569 3.427 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.717 3.451 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.833 2.294 -6.621 1.00 0.00 H new ATOM 980 N PRO A 65 12.593 6.221 -8.891 1.00 0.00 N ATOM 981 CA PRO A 65 12.995 5.671 -10.178 1.00 0.00 C ATOM 982 C PRO A 65 14.465 5.949 -10.494 1.00 0.00 C ATOM 983 O PRO A 65 15.199 5.039 -10.879 1.00 0.00 O ATOM 984 CB PRO A 65 12.098 6.321 -11.231 1.00 0.00 C ATOM 985 CG PRO A 65 10.889 6.841 -10.461 1.00 0.00 C ATOM 986 CD PRO A 65 11.291 6.858 -8.986 1.00 0.00 C ATOM 0 HA PRO A 65 12.887 4.586 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.616 7.131 -11.744 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.800 5.601 -11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 65 10.613 7.840 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.022 6.200 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.334 7.880 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.557 6.326 -8.380 1.00 0.00 H new ATOM 994 N LEU A 66 14.887 7.209 -10.345 1.00 0.00 N ATOM 995 CA LEU A 66 16.217 7.631 -10.775 1.00 0.00 C ATOM 996 C LEU A 66 17.238 6.801 -9.984 1.00 0.00 C ATOM 997 O LEU A 66 18.157 6.208 -10.558 1.00 0.00 O ATOM 998 CB LEU A 66 16.419 9.123 -10.453 1.00 0.00 C ATOM 999 CG LEU A 66 16.426 10.028 -11.688 1.00 0.00 C ATOM 1000 CD1 LEU A 66 15.011 10.152 -12.264 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.944 11.424 -11.333 1.00 0.00 C ATOM 0 H LEU A 66 14.324 7.951 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 66 16.338 7.484 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.627 9.450 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.362 9.245 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 66 17.086 9.578 -12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.031 10.798 -13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.646 9.165 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.348 10.581 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.941 12.051 -12.225 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.300 11.869 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.960 11.348 -10.947 1.00 0.00 H new ATOM 1013 N LEU A 67 17.073 6.764 -8.658 1.00 0.00 N ATOM 1014 CA LEU A 67 17.928 5.993 -7.775 1.00 0.00 C ATOM 1015 C LEU A 67 17.808 4.496 -8.029 1.00 0.00 C ATOM 1016 O LEU A 67 18.790 3.779 -7.886 1.00 0.00 O ATOM 1017 CB LEU A 67 17.590 6.292 -6.314 1.00 0.00 C ATOM 1018 CG LEU A 67 17.997 7.685 -5.816 1.00 0.00 C ATOM 1019 CD1 LEU A 67 18.128 7.669 -4.295 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.282 8.248 -6.424 1.00 0.00 C ATOM 0 H LEU A 67 16.335 7.274 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 67 18.956 6.289 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.515 6.175 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.075 5.544 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 67 17.199 8.349 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.417 8.660 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.172 7.391 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.888 6.945 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.480 9.235 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.115 7.583 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.168 8.328 -7.505 1.00 0.00 H new ATOM 1032 N GLU A 68 16.622 3.996 -8.367 1.00 0.00 N ATOM 1033 CA GLU A 68 16.414 2.585 -8.645 1.00 0.00 C ATOM 1034 C GLU A 68 17.261 2.192 -9.854 1.00 0.00 C ATOM 1035 O GLU A 68 18.015 1.218 -9.804 1.00 0.00 O ATOM 1036 CB GLU A 68 14.915 2.327 -8.842 1.00 0.00 C ATOM 1037 CG GLU A 68 14.576 0.836 -8.909 1.00 0.00 C ATOM 1038 CD GLU A 68 13.064 0.633 -8.936 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.451 0.813 -7.860 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.548 0.325 -10.032 1.00 0.00 O ATOM 0 H GLU A 68 15.779 4.563 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 68 16.734 1.960 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.361 2.785 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.585 2.812 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.024 0.395 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.003 0.321 -8.048 1.00 0.00 H new ATOM 1047 N LYS A 69 17.180 2.986 -10.926 1.00 0.00 N ATOM 1048 CA LYS A 69 18.035 2.804 -12.086 1.00 0.00 C ATOM 1049 C LYS A 69 19.508 2.898 -11.683 1.00 0.00 C ATOM 1050 O LYS A 69 20.293 2.029 -12.059 1.00 0.00 O ATOM 1051 CB LYS A 69 17.670 3.818 -13.173 1.00 0.00 C ATOM 1052 CG LYS A 69 16.347 3.500 -13.886 1.00 0.00 C ATOM 1053 CD LYS A 69 16.316 2.146 -14.619 1.00 0.00 C ATOM 1054 CE LYS A 69 17.538 1.889 -15.513 1.00 0.00 C ATOM 1055 NZ LYS A 69 17.733 2.961 -16.504 1.00 0.00 N ATOM 0 H LYS A 69 16.525 3.763 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 69 17.876 1.808 -12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.604 4.810 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.472 3.853 -13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.542 3.518 -13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.139 4.292 -14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.245 1.347 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.415 2.097 -15.230 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.430 1.803 -14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.416 0.937 -16.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.368 2.626 -17.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.815 3.224 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.154 3.791 -16.040 1.00 0.00 H new ATOM 1069 N TRP A 70 19.890 3.911 -10.894 1.00 0.00 N ATOM 1070 CA TRP A 70 21.258 3.996 -10.388 1.00 0.00 C ATOM 1071 C TRP A 70 21.675 2.690 -9.710 1.00 0.00 C ATOM 1072 O TRP A 70 22.743 2.160 -9.995 1.00 0.00 O ATOM 1073 CB TRP A 70 21.433 5.170 -9.417 1.00 0.00 C ATOM 1074 CG TRP A 70 22.822 5.306 -8.868 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.791 6.082 -9.393 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.428 4.645 -7.714 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.959 5.910 -8.680 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.796 5.036 -7.627 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.964 3.749 -6.729 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.654 4.554 -6.625 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.792 3.314 -5.680 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.128 3.732 -5.617 1.00 0.00 C ATOM 0 H TRP A 70 19.278 4.671 -10.598 1.00 0.00 H new ATOM 0 HA TRP A 70 21.905 4.169 -11.248 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.163 6.094 -9.928 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.736 5.049 -8.588 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.671 6.738 -10.242 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.839 6.374 -8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.947 3.388 -6.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.703 4.812 -6.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.397 2.656 -4.920 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.753 3.421 -4.793 1.00 0.00 H new ATOM 1093 N LEU A 71 20.848 2.181 -8.794 1.00 0.00 N ATOM 1094 CA LEU A 71 21.192 1.031 -7.973 1.00 0.00 C ATOM 1095 C LEU A 71 21.322 -0.209 -8.849 1.00 0.00 C ATOM 1096 O LEU A 71 22.256 -0.984 -8.677 1.00 0.00 O ATOM 1097 CB LEU A 71 20.168 0.833 -6.842 1.00 0.00 C ATOM 1098 CG LEU A 71 20.818 0.566 -5.474 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.702 0.264 -4.468 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.791 -0.620 -5.498 1.00 0.00 C ATOM 0 H LEU A 71 19.920 2.560 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 71 22.156 1.210 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.539 1.720 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.514 -0.002 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 71 21.392 1.451 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.138 0.071 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.029 1.119 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.144 -0.613 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.218 -0.760 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.257 -1.523 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.590 -0.421 -6.212 1.00 0.00 H new ATOM 1112 N ASN A 72 20.406 -0.385 -9.805 1.00 0.00 N ATOM 1113 CA ASN A 72 20.537 -1.420 -10.822 1.00 0.00 C ATOM 1114 C ASN A 72 21.895 -1.297 -11.518 1.00 0.00 C ATOM 1115 O ASN A 72 22.701 -2.226 -11.508 1.00 0.00 O ATOM 1116 CB ASN A 72 19.389 -1.306 -11.834 1.00 0.00 C ATOM 1117 CG ASN A 72 19.604 -2.225 -13.033 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.224 -3.390 -12.997 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.201 -1.720 -14.110 1.00 0.00 N ATOM 0 H ASN A 72 19.563 0.182 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 72 20.481 -2.401 -10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.447 -1.557 -11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.306 -0.274 -12.176 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.352 -2.306 -14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.508 -0.747 -14.114 1.00 0.00 H new ATOM 1126 N ASP A 73 22.141 -0.134 -12.124 1.00 0.00 N ATOM 1127 CA ASP A 73 23.301 0.094 -12.974 1.00 0.00 C ATOM 1128 C ASP A 73 24.593 -0.145 -12.189 1.00 0.00 C ATOM 1129 O ASP A 73 25.487 -0.848 -12.653 1.00 0.00 O ATOM 1130 CB ASP A 73 23.252 1.513 -13.563 1.00 0.00 C ATOM 1131 CG ASP A 73 22.032 1.774 -14.449 1.00 0.00 C ATOM 1132 OD1 ASP A 73 21.284 0.808 -14.727 1.00 0.00 O ATOM 1133 OD2 ASP A 73 21.866 2.952 -14.836 1.00 0.00 O ATOM 0 H ASP A 73 21.533 0.680 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 73 23.283 -0.614 -13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.257 2.235 -12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 73 24.156 1.685 -14.147 1.00 0.00 H new ATOM 1138 N ALA A 74 24.676 0.425 -10.988 1.00 0.00 N ATOM 1139 CA ALA A 74 25.796 0.272 -10.072 1.00 0.00 C ATOM 1140 C ALA A 74 25.590 -0.916 -9.124 1.00 0.00 C ATOM 1141 O ALA A 74 26.057 -0.877 -7.986 1.00 0.00 O ATOM 1142 CB ALA A 74 25.976 1.585 -9.297 1.00 0.00 C ATOM 0 H ALA A 74 23.939 1.025 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 74 26.702 0.058 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.813 1.487 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.177 2.396 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.067 1.805 -8.738 1.00 0.00 H new