USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -36:sc= 0.838 USER MOD Set 1.2: A 52 THR OG1 : rot 49:sc= 0.415 USER MOD Set 2.1: A 33 GLN : amide:sc= 0.605 K(o=0.9,f=0.3) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.297 X(o=0.9,f=0.61) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.369 (180deg=0.199) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : A 5 LYS NZ :NH3+ -121:sc=-0.00824 (180deg=-0.257) USER MOD Single : A 9 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 37:sc= 0.00392 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -146:sc= 0.136 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.977 K(o=0.98,f=-0.0091) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 46 TYR OH : rot -162:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.624 -1.007 1.192 1.00 0.00 N ATOM 2 CA MET A 1 -15.212 -1.670 -0.051 1.00 0.00 C ATOM 3 C MET A 1 -14.918 -0.647 -1.140 1.00 0.00 C ATOM 4 O MET A 1 -15.447 0.463 -1.112 1.00 0.00 O ATOM 5 CB MET A 1 -16.265 -2.696 -0.501 1.00 0.00 C ATOM 6 CG MET A 1 -15.757 -3.590 -1.641 1.00 0.00 C ATOM 7 SD MET A 1 -16.463 -5.248 -1.658 1.00 0.00 S ATOM 8 CE MET A 1 -15.481 -5.958 -3.000 1.00 0.00 C ATOM 0 H1 MET A 1 -15.477 -1.652 1.995 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.057 -0.146 1.331 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.631 -0.752 1.132 1.00 0.00 H new ATOM 0 HA MET A 1 -14.288 -2.216 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.548 -3.319 0.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.164 -2.172 -0.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.977 -3.105 -2.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.672 -3.671 -1.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.779 -6.994 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.647 -5.388 -3.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.424 -5.921 -2.736 1.00 0.00 H new ATOM 18 N GLY A 2 -14.158 -1.036 -2.160 1.00 0.00 N ATOM 19 CA GLY A 2 -13.790 -0.192 -3.282 1.00 0.00 C ATOM 20 C GLY A 2 -12.311 -0.270 -3.594 1.00 0.00 C ATOM 21 O GLY A 2 -11.580 -1.057 -2.994 1.00 0.00 O ATOM 0 H GLY A 2 -13.772 -1.978 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.361 -0.490 -4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.059 0.841 -3.061 1.00 0.00 H new ATOM 25 N THR A 3 -11.888 0.519 -4.569 1.00 0.00 N ATOM 26 CA THR A 3 -10.520 0.553 -5.040 1.00 0.00 C ATOM 27 C THR A 3 -9.615 1.339 -4.106 1.00 0.00 C ATOM 28 O THR A 3 -9.965 2.435 -3.652 1.00 0.00 O ATOM 29 CB THR A 3 -10.486 1.149 -6.455 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.620 0.747 -7.191 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.242 0.697 -7.224 1.00 0.00 C ATOM 0 H THR A 3 -12.503 1.166 -5.063 1.00 0.00 H new ATOM 0 HA THR A 3 -10.141 -0.469 -5.062 1.00 0.00 H new ATOM 0 HB THR A 3 -10.471 2.233 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.582 1.137 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.251 1.137 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.348 1.021 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.241 -0.390 -7.308 1.00 0.00 H new ATOM 39 N TYR A 4 -8.422 0.796 -3.917 1.00 0.00 N ATOM 40 CA TYR A 4 -7.337 1.310 -3.115 1.00 0.00 C ATOM 41 C TYR A 4 -6.063 1.379 -3.964 1.00 0.00 C ATOM 42 O TYR A 4 -5.940 0.664 -4.966 1.00 0.00 O ATOM 43 CB TYR A 4 -7.163 0.372 -1.928 1.00 0.00 C ATOM 44 CG TYR A 4 -8.229 0.533 -0.879 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.076 1.544 0.079 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.339 -0.327 -0.840 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.987 1.667 1.131 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.280 -0.197 0.198 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.079 0.782 1.202 1.00 0.00 C ATOM 50 OH TYR A 4 -10.937 0.930 2.237 1.00 0.00 O ATOM 0 H TYR A 4 -8.174 -0.089 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.548 2.317 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.167 -0.658 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.188 0.549 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.248 2.233 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.469 -1.082 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.855 2.433 1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.148 -0.838 0.229 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.648 0.259 2.171 1.00 0.00 H new ATOM 60 N LYS A 5 -5.083 2.186 -3.544 1.00 0.00 N ATOM 61 CA LYS A 5 -3.792 2.382 -4.207 1.00 0.00 C ATOM 62 C LYS A 5 -2.672 2.309 -3.180 1.00 0.00 C ATOM 63 O LYS A 5 -2.853 2.721 -2.037 1.00 0.00 O ATOM 64 CB LYS A 5 -3.772 3.748 -4.921 1.00 0.00 C ATOM 65 CG LYS A 5 -2.415 4.087 -5.581 1.00 0.00 C ATOM 66 CD LYS A 5 -2.367 5.487 -6.210 1.00 0.00 C ATOM 67 CE LYS A 5 -3.246 5.614 -7.453 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.767 4.768 -8.564 1.00 0.00 N ATOM 0 H LYS A 5 -5.173 2.744 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.644 1.597 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.550 3.760 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.020 4.528 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.627 4.008 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.200 3.345 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.684 6.222 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.337 5.725 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.270 5.336 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.269 6.655 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.555 5.365 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.906 4.264 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.503 4.077 -8.817 1.00 0.00 H new ATOM 82 N LEU A 6 -1.523 1.785 -3.588 1.00 0.00 N ATOM 83 CA LEU A 6 -0.324 1.666 -2.775 1.00 0.00 C ATOM 84 C LEU A 6 0.806 2.307 -3.558 1.00 0.00 C ATOM 85 O LEU A 6 0.946 2.039 -4.754 1.00 0.00 O ATOM 86 CB LEU A 6 0.011 0.202 -2.502 1.00 0.00 C ATOM 87 CG LEU A 6 1.371 -0.036 -1.811 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.376 0.587 -0.410 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.661 -1.541 -1.759 1.00 0.00 C ATOM 0 H LEU A 6 -1.398 1.418 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.474 2.154 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.776 -0.226 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.000 -0.340 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 6 2.162 0.447 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.342 0.410 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.201 1.660 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.588 0.134 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.621 -1.710 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.875 -2.044 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.694 -1.940 -2.773 1.00 0.00 H new ATOM 101 N ILE A 7 1.620 3.095 -2.869 1.00 0.00 N ATOM 102 CA ILE A 7 2.774 3.791 -3.406 1.00 0.00 C ATOM 103 C ILE A 7 3.967 3.285 -2.589 1.00 0.00 C ATOM 104 O ILE A 7 4.075 3.551 -1.391 1.00 0.00 O ATOM 105 CB ILE A 7 2.563 5.318 -3.336 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.284 5.741 -4.098 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.803 6.039 -3.894 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.983 7.241 -4.055 1.00 0.00 C ATOM 0 H ILE A 7 1.484 3.273 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 7 2.945 3.591 -4.464 1.00 0.00 H new ATOM 0 HB ILE A 7 2.429 5.605 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.379 5.433 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.434 5.201 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.651 7.117 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.678 5.768 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.960 5.743 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.070 7.445 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.852 7.556 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.812 7.791 -4.500 1.00 0.00 H new ATOM 120 N LEU A 8 4.805 2.455 -3.202 1.00 0.00 N ATOM 121 CA LEU A 8 5.993 1.887 -2.587 1.00 0.00 C ATOM 122 C LEU A 8 7.108 2.904 -2.746 1.00 0.00 C ATOM 123 O LEU A 8 7.602 3.108 -3.854 1.00 0.00 O ATOM 124 CB LEU A 8 6.418 0.579 -3.273 1.00 0.00 C ATOM 125 CG LEU A 8 5.402 -0.559 -3.183 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.842 -1.708 -4.097 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.230 -1.098 -1.768 1.00 0.00 C ATOM 0 H LEU A 8 4.670 2.153 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 8 5.785 1.662 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.616 0.786 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.356 0.243 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 8 4.442 -0.149 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.118 -2.521 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.900 -1.353 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.821 -2.069 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.496 -1.903 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.185 -1.479 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.887 -0.297 -1.113 1.00 0.00 H new ATOM 139 N ASN A 9 7.465 3.580 -1.664 1.00 0.00 N ATOM 140 CA ASN A 9 8.540 4.566 -1.641 1.00 0.00 C ATOM 141 C ASN A 9 9.677 3.930 -0.844 1.00 0.00 C ATOM 142 O ASN A 9 9.948 4.317 0.294 1.00 0.00 O ATOM 143 CB ASN A 9 8.078 5.895 -1.021 1.00 0.00 C ATOM 144 CG ASN A 9 7.363 6.812 -1.997 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.560 6.781 -3.211 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.558 7.711 -1.479 1.00 0.00 N ATOM 0 H ASN A 9 7.009 3.458 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 9 8.865 4.819 -2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.414 5.683 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.945 6.417 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.093 8.388 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.398 7.732 -0.472 1.00 0.00 H new ATOM 153 N GLY A 10 10.379 2.967 -1.443 1.00 0.00 N ATOM 154 CA GLY A 10 11.472 2.285 -0.776 1.00 0.00 C ATOM 155 C GLY A 10 12.822 2.880 -1.121 1.00 0.00 C ATOM 156 O GLY A 10 13.047 3.417 -2.208 1.00 0.00 O ATOM 0 H GLY A 10 10.203 2.645 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.322 2.333 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.461 1.231 -1.053 1.00 0.00 H new ATOM 160 N LYS A 11 13.758 2.775 -0.178 1.00 0.00 N ATOM 161 CA LYS A 11 15.105 3.298 -0.370 1.00 0.00 C ATOM 162 C LYS A 11 15.845 2.555 -1.480 1.00 0.00 C ATOM 163 O LYS A 11 16.797 3.118 -2.024 1.00 0.00 O ATOM 164 CB LYS A 11 15.893 3.252 0.947 1.00 0.00 C ATOM 165 CG LYS A 11 15.241 4.001 2.124 1.00 0.00 C ATOM 166 CD LYS A 11 14.814 5.456 1.873 1.00 0.00 C ATOM 167 CE LYS A 11 13.381 5.583 1.345 1.00 0.00 C ATOM 168 NZ LYS A 11 12.879 6.963 1.485 1.00 0.00 N ATOM 0 H LYS A 11 13.605 2.331 0.727 1.00 0.00 H new ATOM 0 HA LYS A 11 15.017 4.339 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.033 2.209 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.884 3.671 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.361 3.439 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.940 3.992 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.903 6.019 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.499 5.911 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.350 5.287 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.729 4.899 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.907 7.018 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.887 7.235 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.489 7.611 0.946 1.00 0.00 H new ATOM 182 N THR A 12 15.442 1.338 -1.855 1.00 0.00 N ATOM 183 CA THR A 12 16.106 0.595 -2.919 1.00 0.00 C ATOM 184 C THR A 12 15.126 0.150 -4.006 1.00 0.00 C ATOM 185 O THR A 12 15.560 0.031 -5.154 1.00 0.00 O ATOM 186 CB THR A 12 16.966 -0.555 -2.363 1.00 0.00 C ATOM 187 OG1 THR A 12 16.198 -1.565 -1.753 1.00 0.00 O ATOM 188 CG2 THR A 12 18.015 -0.079 -1.357 1.00 0.00 C ATOM 0 H THR A 12 14.654 0.848 -1.432 1.00 0.00 H new ATOM 0 HA THR A 12 16.800 1.277 -3.410 1.00 0.00 H new ATOM 0 HB THR A 12 17.468 -0.964 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.791 -2.270 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.590 -0.933 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.684 0.633 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.519 0.402 -0.514 1.00 0.00 H new ATOM 196 N LEU A 13 13.829 -0.015 -3.709 1.00 0.00 N ATOM 197 CA LEU A 13 12.815 -0.439 -4.675 1.00 0.00 C ATOM 198 C LEU A 13 11.587 0.433 -4.511 1.00 0.00 C ATOM 199 O LEU A 13 11.162 0.691 -3.386 1.00 0.00 O ATOM 200 CB LEU A 13 12.476 -1.925 -4.464 1.00 0.00 C ATOM 201 CG LEU A 13 11.374 -2.487 -5.393 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.585 -3.996 -5.571 1.00 0.00 C ATOM 203 CD2 LEU A 13 9.958 -2.277 -4.837 1.00 0.00 C ATOM 0 H LEU A 13 13.453 0.146 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 13 13.194 -0.326 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.383 -2.512 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.164 -2.067 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 13 11.454 -1.948 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.811 -4.397 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.564 -4.177 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.530 -4.488 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.229 -2.692 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.867 -2.779 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.772 -1.211 -4.709 1.00 0.00 H new ATOM 215 N LYS A 14 11.039 0.934 -5.618 1.00 0.00 N ATOM 216 CA LYS A 14 9.845 1.771 -5.611 1.00 0.00 C ATOM 217 C LYS A 14 8.896 1.246 -6.682 1.00 0.00 C ATOM 218 O LYS A 14 9.346 0.628 -7.649 1.00 0.00 O ATOM 219 CB LYS A 14 10.196 3.256 -5.811 1.00 0.00 C ATOM 220 CG LYS A 14 10.953 3.871 -4.629 1.00 0.00 C ATOM 221 CD LYS A 14 12.115 4.806 -4.951 1.00 0.00 C ATOM 222 CE LYS A 14 13.352 4.032 -5.402 1.00 0.00 C ATOM 223 NZ LYS A 14 14.564 4.874 -5.343 1.00 0.00 N ATOM 0 H LYS A 14 11.416 0.768 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 14 9.353 1.717 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.800 3.360 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.277 3.819 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.236 4.421 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.336 3.057 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.816 5.503 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.358 5.401 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.485 3.155 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.207 3.671 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.387 4.320 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.445 5.698 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.715 5.197 -4.366 1.00 0.00 H new ATOM 237 N GLY A 15 7.598 1.486 -6.517 1.00 0.00 N ATOM 238 CA GLY A 15 6.569 1.038 -7.439 1.00 0.00 C ATOM 239 C GLY A 15 5.193 1.533 -7.007 1.00 0.00 C ATOM 240 O GLY A 15 5.071 2.224 -5.994 1.00 0.00 O ATOM 0 H GLY A 15 7.229 2.008 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.792 1.402 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.569 -0.051 -7.488 1.00 0.00 H new ATOM 244 N GLU A 16 4.154 1.218 -7.779 1.00 0.00 N ATOM 245 CA GLU A 16 2.777 1.620 -7.512 1.00 0.00 C ATOM 246 C GLU A 16 1.815 0.505 -7.924 1.00 0.00 C ATOM 247 O GLU A 16 1.919 0.002 -9.045 1.00 0.00 O ATOM 248 CB GLU A 16 2.455 2.877 -8.346 1.00 0.00 C ATOM 249 CG GLU A 16 2.796 4.189 -7.632 1.00 0.00 C ATOM 250 CD GLU A 16 3.102 5.320 -8.613 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.280 5.622 -9.509 1.00 0.00 O ATOM 252 OE2 GLU A 16 4.171 5.963 -8.484 1.00 0.00 O ATOM 0 H GLU A 16 4.251 0.662 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 16 2.663 1.823 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.005 2.830 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.394 2.875 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.962 4.480 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.656 4.033 -6.981 1.00 0.00 H new ATOM 259 N THR A 17 0.840 0.154 -7.082 1.00 0.00 N ATOM 260 CA THR A 17 -0.163 -0.873 -7.371 1.00 0.00 C ATOM 261 C THR A 17 -1.539 -0.379 -6.901 1.00 0.00 C ATOM 262 O THR A 17 -1.647 0.574 -6.126 1.00 0.00 O ATOM 263 CB THR A 17 0.249 -2.251 -6.794 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.608 -3.251 -7.307 1.00 0.00 O ATOM 265 CG2 THR A 17 0.255 -2.356 -5.261 1.00 0.00 C ATOM 0 H THR A 17 0.724 0.583 -6.164 1.00 0.00 H new ATOM 0 HA THR A 17 -0.230 -1.037 -8.446 1.00 0.00 H new ATOM 0 HB THR A 17 1.284 -2.386 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.347 -4.123 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.558 -3.361 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.957 -1.630 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.745 -2.151 -4.878 1.00 0.00 H new ATOM 273 N THR A 18 -2.613 -0.999 -7.388 1.00 0.00 N ATOM 274 CA THR A 18 -3.998 -0.695 -7.057 1.00 0.00 C ATOM 275 C THR A 18 -4.766 -2.008 -6.973 1.00 0.00 C ATOM 276 O THR A 18 -4.537 -2.888 -7.807 1.00 0.00 O ATOM 277 CB THR A 18 -4.633 0.183 -8.143 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.246 -0.252 -9.443 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.192 1.628 -7.979 1.00 0.00 C ATOM 0 H THR A 18 -2.533 -1.765 -8.057 1.00 0.00 H new ATOM 0 HA THR A 18 -4.034 -0.158 -6.109 1.00 0.00 H new ATOM 0 HB THR A 18 -5.715 0.102 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.196 -1.231 -9.459 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.651 2.239 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.502 1.994 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.107 1.689 -8.062 1.00 0.00 H new ATOM 287 N THR A 19 -5.630 -2.163 -5.977 1.00 0.00 N ATOM 288 CA THR A 19 -6.431 -3.361 -5.784 1.00 0.00 C ATOM 289 C THR A 19 -7.788 -2.981 -5.176 1.00 0.00 C ATOM 290 O THR A 19 -7.910 -1.915 -4.565 1.00 0.00 O ATOM 291 CB THR A 19 -5.601 -4.361 -4.954 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.078 -5.676 -5.134 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.588 -3.997 -3.472 1.00 0.00 C ATOM 0 H THR A 19 -5.795 -1.446 -5.270 1.00 0.00 H new ATOM 0 HA THR A 19 -6.671 -3.857 -6.724 1.00 0.00 H new ATOM 0 HB THR A 19 -4.574 -4.307 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.538 -6.296 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.992 -4.727 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.154 -3.005 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.608 -3.999 -3.088 1.00 0.00 H new ATOM 301 N GLU A 20 -8.839 -3.764 -5.415 1.00 0.00 N ATOM 302 CA GLU A 20 -10.151 -3.503 -4.833 1.00 0.00 C ATOM 303 C GLU A 20 -10.201 -4.318 -3.546 1.00 0.00 C ATOM 304 O GLU A 20 -9.990 -5.534 -3.589 1.00 0.00 O ATOM 305 CB GLU A 20 -11.286 -3.899 -5.777 1.00 0.00 C ATOM 306 CG GLU A 20 -11.456 -2.861 -6.895 1.00 0.00 C ATOM 307 CD GLU A 20 -12.421 -3.355 -7.969 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.393 -4.074 -7.640 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.177 -3.110 -9.174 1.00 0.00 O ATOM 0 H GLU A 20 -8.804 -4.590 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.287 -2.438 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.078 -4.877 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.216 -3.991 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.826 -1.926 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.487 -2.646 -7.345 1.00 0.00 H new ATOM 316 N ALA A 21 -10.436 -3.657 -2.410 1.00 0.00 N ATOM 317 CA ALA A 21 -10.509 -4.295 -1.105 1.00 0.00 C ATOM 318 C ALA A 21 -11.898 -4.124 -0.512 1.00 0.00 C ATOM 319 O ALA A 21 -12.563 -3.105 -0.712 1.00 0.00 O ATOM 320 CB ALA A 21 -9.476 -3.701 -0.150 1.00 0.00 C ATOM 0 H ALA A 21 -10.582 -2.648 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.298 -5.356 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.550 -4.194 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.476 -3.850 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.663 -2.634 -0.029 1.00 0.00 H new ATOM 326 N VAL A 22 -12.289 -5.110 0.284 1.00 0.00 N ATOM 327 CA VAL A 22 -13.573 -5.198 0.972 1.00 0.00 C ATOM 328 C VAL A 22 -13.704 -4.131 2.060 1.00 0.00 C ATOM 329 O VAL A 22 -14.791 -3.583 2.277 1.00 0.00 O ATOM 330 CB VAL A 22 -13.750 -6.621 1.541 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.964 -7.609 0.388 1.00 0.00 C ATOM 332 CG2 VAL A 22 -12.565 -7.106 2.394 1.00 0.00 C ATOM 0 H VAL A 22 -11.689 -5.912 0.478 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.372 -5.005 0.256 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.617 -6.578 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.089 -8.615 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.856 -7.328 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.099 -7.588 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.766 -8.114 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.659 -7.113 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.429 -6.435 3.242 1.00 0.00 H new ATOM 342 N ASP A 23 -12.600 -3.799 2.718 1.00 0.00 N ATOM 343 CA ASP A 23 -12.483 -2.819 3.784 1.00 0.00 C ATOM 344 C ASP A 23 -11.016 -2.391 3.836 1.00 0.00 C ATOM 345 O ASP A 23 -10.148 -3.065 3.266 1.00 0.00 O ATOM 346 CB ASP A 23 -12.977 -3.384 5.125 1.00 0.00 C ATOM 347 CG ASP A 23 -12.225 -4.627 5.583 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.018 -4.529 5.877 1.00 0.00 O ATOM 349 OD2 ASP A 23 -12.828 -5.719 5.666 1.00 0.00 O ATOM 0 H ASP A 23 -11.704 -4.238 2.505 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.116 -1.954 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.885 -2.613 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.037 -3.623 5.040 1.00 0.00 H new ATOM 354 N ALA A 24 -10.731 -1.274 4.507 1.00 0.00 N ATOM 355 CA ALA A 24 -9.386 -0.727 4.627 1.00 0.00 C ATOM 356 C ALA A 24 -8.435 -1.649 5.380 1.00 0.00 C ATOM 357 O ALA A 24 -7.231 -1.587 5.140 1.00 0.00 O ATOM 358 CB ALA A 24 -9.427 0.631 5.318 1.00 0.00 C ATOM 0 H ALA A 24 -11.440 -0.719 4.987 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.004 -0.622 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.415 1.028 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.039 1.318 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.856 0.520 6.314 1.00 0.00 H new ATOM 364 N ALA A 25 -8.934 -2.472 6.306 1.00 0.00 N ATOM 365 CA ALA A 25 -8.074 -3.381 7.041 1.00 0.00 C ATOM 366 C ALA A 25 -7.535 -4.419 6.057 1.00 0.00 C ATOM 367 O ALA A 25 -6.340 -4.710 6.090 1.00 0.00 O ATOM 368 CB ALA A 25 -8.802 -3.988 8.235 1.00 0.00 C ATOM 0 H ALA A 25 -9.921 -2.522 6.558 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.227 -2.849 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.131 -4.664 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.122 -3.193 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.674 -4.541 7.887 1.00 0.00 H new ATOM 374 N THR A 26 -8.377 -4.966 5.176 1.00 0.00 N ATOM 375 CA THR A 26 -7.957 -5.927 4.167 1.00 0.00 C ATOM 376 C THR A 26 -7.106 -5.193 3.142 1.00 0.00 C ATOM 377 O THR A 26 -6.133 -5.769 2.665 1.00 0.00 O ATOM 378 CB THR A 26 -9.151 -6.662 3.549 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.714 -7.519 4.518 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.750 -7.561 2.374 1.00 0.00 C ATOM 0 H THR A 26 -9.373 -4.750 5.147 1.00 0.00 H new ATOM 0 HA THR A 26 -7.354 -6.713 4.622 1.00 0.00 H new ATOM 0 HB THR A 26 -9.841 -5.894 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.480 -7.992 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.636 -8.056 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.291 -6.955 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.038 -8.312 2.717 1.00 0.00 H new ATOM 388 N ALA A 27 -7.413 -3.928 2.842 1.00 0.00 N ATOM 389 CA ALA A 27 -6.636 -3.152 1.895 1.00 0.00 C ATOM 390 C ALA A 27 -5.186 -3.102 2.372 1.00 0.00 C ATOM 391 O ALA A 27 -4.254 -3.446 1.644 1.00 0.00 O ATOM 392 CB ALA A 27 -7.240 -1.747 1.754 1.00 0.00 C ATOM 0 H ALA A 27 -8.201 -3.424 3.249 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.659 -3.617 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.652 -1.168 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.267 -1.827 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.230 -1.248 2.723 1.00 0.00 H new ATOM 398 N GLU A 28 -5.030 -2.736 3.640 1.00 0.00 N ATOM 399 CA GLU A 28 -3.771 -2.628 4.342 1.00 0.00 C ATOM 400 C GLU A 28 -3.090 -3.999 4.421 1.00 0.00 C ATOM 401 O GLU A 28 -1.894 -4.093 4.186 1.00 0.00 O ATOM 402 CB GLU A 28 -4.091 -2.008 5.709 1.00 0.00 C ATOM 403 CG GLU A 28 -2.928 -1.973 6.693 1.00 0.00 C ATOM 404 CD GLU A 28 -3.352 -1.234 7.964 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.020 -1.858 8.825 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.116 -0.004 8.078 1.00 0.00 O ATOM 0 H GLU A 28 -5.826 -2.495 4.231 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.054 -1.990 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.446 -0.989 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.911 -2.566 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.615 -2.988 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.070 -1.476 6.240 1.00 0.00 H new ATOM 413 N LYS A 29 -3.821 -5.082 4.713 1.00 0.00 N ATOM 414 CA LYS A 29 -3.252 -6.429 4.800 1.00 0.00 C ATOM 415 C LYS A 29 -2.688 -6.852 3.452 1.00 0.00 C ATOM 416 O LYS A 29 -1.568 -7.365 3.397 1.00 0.00 O ATOM 417 CB LYS A 29 -4.317 -7.451 5.242 1.00 0.00 C ATOM 418 CG LYS A 29 -4.540 -7.435 6.758 1.00 0.00 C ATOM 419 CD LYS A 29 -5.645 -8.389 7.237 1.00 0.00 C ATOM 420 CE LYS A 29 -7.037 -7.927 6.790 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.147 -8.582 7.506 1.00 0.00 N ATOM 0 H LYS A 29 -4.824 -5.047 4.895 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.454 -6.404 5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.258 -7.235 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.010 -8.450 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.606 -7.698 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.791 -6.420 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.453 -9.389 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.618 -8.458 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.113 -6.849 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.145 -8.117 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.053 -8.218 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.101 -9.609 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.070 -8.381 8.524 1.00 0.00 H new ATOM 435 N VAL A 30 -3.463 -6.672 2.386 1.00 0.00 N ATOM 436 CA VAL A 30 -3.066 -7.033 1.036 1.00 0.00 C ATOM 437 C VAL A 30 -1.839 -6.229 0.651 1.00 0.00 C ATOM 438 O VAL A 30 -0.817 -6.806 0.286 1.00 0.00 O ATOM 439 CB VAL A 30 -4.255 -6.814 0.091 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.882 -6.822 -1.396 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.288 -7.913 0.360 1.00 0.00 C ATOM 0 H VAL A 30 -4.397 -6.265 2.441 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.793 -8.086 0.968 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.650 -5.819 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.777 -6.661 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.164 -6.027 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.440 -7.784 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.144 -7.778 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.838 -8.888 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.618 -7.856 1.397 1.00 0.00 H new ATOM 451 N PHE A 31 -1.906 -4.906 0.764 1.00 0.00 N ATOM 452 CA PHE A 31 -0.773 -4.077 0.426 1.00 0.00 C ATOM 453 C PHE A 31 0.434 -4.415 1.285 1.00 0.00 C ATOM 454 O PHE A 31 1.523 -4.476 0.727 1.00 0.00 O ATOM 455 CB PHE A 31 -1.163 -2.611 0.491 1.00 0.00 C ATOM 456 CG PHE A 31 -2.065 -2.132 -0.631 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.040 -2.696 -1.927 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.858 -1.004 -0.394 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.788 -2.126 -2.967 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.573 -0.406 -1.444 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.545 -0.970 -2.730 1.00 0.00 C ATOM 0 H PHE A 31 -2.729 -4.396 1.085 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.472 -4.283 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.663 -2.426 1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.254 -2.009 0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.440 -3.573 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.920 -0.591 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.781 -2.577 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.147 0.491 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.105 -0.515 -3.534 1.00 0.00 H new ATOM 471 N LYS A 32 0.285 -4.691 2.584 1.00 0.00 N ATOM 472 CA LYS A 32 1.423 -5.056 3.436 1.00 0.00 C ATOM 473 C LYS A 32 2.090 -6.291 2.865 1.00 0.00 C ATOM 474 O LYS A 32 3.309 -6.336 2.737 1.00 0.00 O ATOM 475 CB LYS A 32 1.011 -5.333 4.894 1.00 0.00 C ATOM 476 CG LYS A 32 1.209 -4.115 5.813 1.00 0.00 C ATOM 477 CD LYS A 32 1.896 -4.523 7.126 1.00 0.00 C ATOM 478 CE LYS A 32 2.312 -3.278 7.921 1.00 0.00 C ATOM 479 NZ LYS A 32 3.772 -3.139 8.045 1.00 0.00 N ATOM 0 H LYS A 32 -0.612 -4.669 3.069 1.00 0.00 H new ATOM 0 HA LYS A 32 2.108 -4.208 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.036 -5.635 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.593 -6.170 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.810 -3.363 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.244 -3.658 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.219 -5.134 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.772 -5.135 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.908 -2.390 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.871 -3.325 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.003 -2.715 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.217 -4.076 7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.128 -2.527 7.283 1.00 0.00 H new ATOM 493 N GLN A 33 1.288 -7.300 2.536 1.00 0.00 N ATOM 494 CA GLN A 33 1.755 -8.541 1.984 1.00 0.00 C ATOM 495 C GLN A 33 2.501 -8.245 0.689 1.00 0.00 C ATOM 496 O GLN A 33 3.561 -8.830 0.475 1.00 0.00 O ATOM 497 CB GLN A 33 0.544 -9.479 1.796 1.00 0.00 C ATOM 498 CG GLN A 33 0.815 -10.700 0.916 1.00 0.00 C ATOM 499 CD GLN A 33 1.707 -11.719 1.605 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.247 -12.679 2.217 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.003 -11.526 1.512 1.00 0.00 N ATOM 0 H GLN A 33 0.275 -7.264 2.653 1.00 0.00 H new ATOM 0 HA GLN A 33 2.455 -9.049 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.210 -9.821 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.277 -8.909 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.131 -11.170 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.285 -10.378 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.363 -10.722 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.649 -12.181 1.953 1.00 0.00 H new ATOM 510 N TYR A 34 1.964 -7.358 -0.150 1.00 0.00 N ATOM 511 CA TYR A 34 2.563 -7.015 -1.427 1.00 0.00 C ATOM 512 C TYR A 34 3.882 -6.265 -1.261 1.00 0.00 C ATOM 513 O TYR A 34 4.875 -6.602 -1.901 1.00 0.00 O ATOM 514 CB TYR A 34 1.551 -6.209 -2.242 1.00 0.00 C ATOM 515 CG TYR A 34 1.855 -6.201 -3.720 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.589 -7.347 -4.490 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.402 -5.058 -4.324 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.869 -7.359 -5.866 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.628 -5.046 -5.709 1.00 0.00 C ATOM 520 CZ TYR A 34 2.382 -6.199 -6.486 1.00 0.00 C ATOM 521 OH TYR A 34 2.663 -6.205 -7.817 1.00 0.00 O ATOM 0 H TYR A 34 1.096 -6.858 0.045 1.00 0.00 H new ATOM 0 HA TYR A 34 2.810 -7.932 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.555 -6.622 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.533 -5.183 -1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.167 -8.223 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.648 -4.193 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.693 -8.252 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.993 -4.148 -6.184 1.00 0.00 H new ATOM 0 HH TYR A 34 3.007 -5.327 -8.083 1.00 0.00 H new ATOM 531 N ALA A 35 3.916 -5.244 -0.408 1.00 0.00 N ATOM 532 CA ALA A 35 5.114 -4.461 -0.165 1.00 0.00 C ATOM 533 C ALA A 35 6.217 -5.349 0.393 1.00 0.00 C ATOM 534 O ALA A 35 7.339 -5.287 -0.105 1.00 0.00 O ATOM 535 CB ALA A 35 4.800 -3.338 0.810 1.00 0.00 C ATOM 0 H ALA A 35 3.107 -4.939 0.134 1.00 0.00 H new ATOM 0 HA ALA A 35 5.458 -4.031 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.700 -2.751 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.027 -2.696 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.447 -3.761 1.751 1.00 0.00 H new ATOM 541 N ASN A 36 5.898 -6.199 1.377 1.00 0.00 N ATOM 542 CA ASN A 36 6.888 -7.094 1.966 1.00 0.00 C ATOM 543 C ASN A 36 7.382 -8.073 0.902 1.00 0.00 C ATOM 544 O ASN A 36 8.547 -8.453 0.943 1.00 0.00 O ATOM 545 CB ASN A 36 6.363 -7.816 3.222 1.00 0.00 C ATOM 546 CG ASN A 36 6.450 -9.329 3.103 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.423 -9.958 3.506 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.440 -9.936 2.506 1.00 0.00 N ATOM 0 H ASN A 36 4.964 -6.282 1.778 1.00 0.00 H new ATOM 0 HA ASN A 36 7.730 -6.494 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.935 -7.490 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.326 -7.528 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.460 -10.947 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.641 -9.394 2.179 1.00 0.00 H new ATOM 555 N ASP A 37 6.521 -8.460 -0.052 1.00 0.00 N ATOM 556 CA ASP A 37 6.912 -9.377 -1.123 1.00 0.00 C ATOM 557 C ASP A 37 8.004 -8.725 -1.969 1.00 0.00 C ATOM 558 O ASP A 37 8.872 -9.421 -2.483 1.00 0.00 O ATOM 559 CB ASP A 37 5.715 -9.813 -1.975 1.00 0.00 C ATOM 560 CG ASP A 37 6.056 -11.054 -2.800 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.185 -12.150 -2.196 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.088 -10.957 -4.051 1.00 0.00 O ATOM 0 H ASP A 37 5.551 -8.150 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 37 7.307 -10.289 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.862 -10.023 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.420 -9.000 -2.638 1.00 0.00 H new ATOM 567 N ASN A 38 7.976 -7.392 -2.109 1.00 0.00 N ATOM 568 CA ASN A 38 8.983 -6.618 -2.836 1.00 0.00 C ATOM 569 C ASN A 38 10.137 -6.213 -1.897 1.00 0.00 C ATOM 570 O ASN A 38 11.128 -5.642 -2.352 1.00 0.00 O ATOM 571 CB ASN A 38 8.375 -5.340 -3.422 1.00 0.00 C ATOM 572 CG ASN A 38 7.419 -5.615 -4.559 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.806 -5.629 -5.725 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.157 -5.859 -4.244 1.00 0.00 N ATOM 0 H ASN A 38 7.236 -6.813 -1.711 1.00 0.00 H new ATOM 0 HA ASN A 38 9.358 -7.250 -3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.850 -4.799 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.176 -4.691 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.479 -6.065 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.862 -5.841 -3.268 1.00 0.00 H new ATOM 581 N GLY A 39 10.028 -6.483 -0.595 1.00 0.00 N ATOM 582 CA GLY A 39 11.018 -6.177 0.429 1.00 0.00 C ATOM 583 C GLY A 39 10.945 -4.739 0.924 1.00 0.00 C ATOM 584 O GLY A 39 11.964 -4.183 1.337 1.00 0.00 O ATOM 0 H GLY A 39 9.203 -6.944 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.879 -6.852 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.014 -6.367 0.030 1.00 0.00 H new ATOM 588 N VAL A 40 9.772 -4.113 0.878 1.00 0.00 N ATOM 589 CA VAL A 40 9.546 -2.744 1.308 1.00 0.00 C ATOM 590 C VAL A 40 8.787 -2.793 2.625 1.00 0.00 C ATOM 591 O VAL A 40 7.687 -3.341 2.695 1.00 0.00 O ATOM 592 CB VAL A 40 8.726 -1.981 0.255 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.633 -0.487 0.602 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.288 -2.142 -1.163 1.00 0.00 C ATOM 0 H VAL A 40 8.927 -4.564 0.528 1.00 0.00 H new ATOM 0 HA VAL A 40 10.497 -2.225 1.433 1.00 0.00 H new ATOM 0 HB VAL A 40 7.729 -2.422 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.048 0.028 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.151 -0.368 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.635 -0.059 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.670 -1.582 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.309 -1.761 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.285 -3.197 -1.438 1.00 0.00 H new ATOM 604 N ASP A 41 9.371 -2.212 3.664 1.00 0.00 N ATOM 605 CA ASP A 41 8.783 -2.142 4.986 1.00 0.00 C ATOM 606 C ASP A 41 9.251 -0.845 5.621 1.00 0.00 C ATOM 607 O ASP A 41 10.412 -0.720 6.024 1.00 0.00 O ATOM 608 CB ASP A 41 9.170 -3.349 5.825 1.00 0.00 C ATOM 609 CG ASP A 41 8.764 -3.132 7.279 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.553 -2.969 7.554 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.672 -3.047 8.134 1.00 0.00 O ATOM 0 H ASP A 41 10.287 -1.768 3.605 1.00 0.00 H new ATOM 0 HA ASP A 41 7.695 -2.155 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.685 -4.243 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.245 -3.516 5.761 1.00 0.00 H new ATOM 616 N GLY A 42 8.352 0.130 5.666 1.00 0.00 N ATOM 617 CA GLY A 42 8.614 1.443 6.224 1.00 0.00 C ATOM 618 C GLY A 42 7.434 2.007 6.980 1.00 0.00 C ATOM 619 O GLY A 42 6.678 1.281 7.626 1.00 0.00 O ATOM 0 H GLY A 42 7.403 0.024 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.473 1.383 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.884 2.127 5.419 1.00 0.00 H new ATOM 623 N GLU A 43 7.327 3.330 6.946 1.00 0.00 N ATOM 624 CA GLU A 43 6.252 4.051 7.585 1.00 0.00 C ATOM 625 C GLU A 43 5.080 4.056 6.618 1.00 0.00 C ATOM 626 O GLU A 43 5.187 4.645 5.539 1.00 0.00 O ATOM 627 CB GLU A 43 6.643 5.484 7.960 1.00 0.00 C ATOM 628 CG GLU A 43 5.413 6.119 8.632 1.00 0.00 C ATOM 629 CD GLU A 43 5.672 7.479 9.259 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.212 8.369 8.564 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.178 7.694 10.391 1.00 0.00 O ATOM 0 H GLU A 43 7.996 3.932 6.466 1.00 0.00 H new ATOM 0 HA GLU A 43 5.995 3.558 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.498 5.487 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.935 6.049 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.620 6.219 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.045 5.441 9.402 1.00 0.00 H new ATOM 638 N TRP A 44 3.990 3.392 6.990 1.00 0.00 N ATOM 639 CA TRP A 44 2.803 3.342 6.165 1.00 0.00 C ATOM 640 C TRP A 44 1.922 4.537 6.497 1.00 0.00 C ATOM 641 O TRP A 44 1.600 4.770 7.666 1.00 0.00 O ATOM 642 CB TRP A 44 2.041 2.049 6.415 1.00 0.00 C ATOM 643 CG TRP A 44 2.753 0.825 5.943 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.852 0.274 6.503 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.476 0.035 4.758 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.279 -0.790 5.743 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.456 -0.992 4.664 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.502 0.098 3.744 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.468 -1.924 3.626 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.476 -0.867 2.723 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.459 -1.863 2.655 1.00 0.00 C ATOM 0 H TRP A 44 3.911 2.878 7.868 1.00 0.00 H new ATOM 0 HA TRP A 44 3.089 3.375 5.114 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.846 1.955 7.483 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.072 2.108 5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.325 0.617 7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.101 -1.356 5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.770 0.893 3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.240 -2.678 3.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.690 -0.841 1.983 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.439 -2.585 1.852 1.00 0.00 H new ATOM 662 N THR A 45 1.467 5.247 5.478 1.00 0.00 N ATOM 663 CA THR A 45 0.617 6.425 5.587 1.00 0.00 C ATOM 664 C THR A 45 -0.714 6.148 4.877 1.00 0.00 C ATOM 665 O THR A 45 -0.876 5.086 4.270 1.00 0.00 O ATOM 666 CB THR A 45 1.368 7.659 5.059 1.00 0.00 C ATOM 667 OG1 THR A 45 1.470 7.636 3.656 1.00 0.00 O ATOM 668 CG2 THR A 45 2.797 7.802 5.598 1.00 0.00 C ATOM 0 H THR A 45 1.688 5.010 4.511 1.00 0.00 H new ATOM 0 HA THR A 45 0.376 6.646 6.627 1.00 0.00 H new ATOM 0 HB THR A 45 0.770 8.500 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.951 8.433 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.257 8.696 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.769 7.885 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.382 6.927 5.316 1.00 0.00 H new ATOM 676 N TYR A 46 -1.690 7.058 4.960 1.00 0.00 N ATOM 677 CA TYR A 46 -2.988 6.885 4.331 1.00 0.00 C ATOM 678 C TYR A 46 -3.568 8.241 3.953 1.00 0.00 C ATOM 679 O TYR A 46 -3.562 9.161 4.773 1.00 0.00 O ATOM 680 CB TYR A 46 -3.930 6.161 5.304 1.00 0.00 C ATOM 681 CG TYR A 46 -5.349 5.996 4.801 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.590 5.234 3.647 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.428 6.574 5.495 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.902 5.041 3.181 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.746 6.342 5.066 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.994 5.582 3.901 1.00 0.00 C ATOM 687 OH TYR A 46 -9.269 5.406 3.453 1.00 0.00 O ATOM 0 H TYR A 46 -1.594 7.936 5.469 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.876 6.289 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.519 5.175 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.953 6.712 6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.761 4.793 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.243 7.196 6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.077 4.480 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.574 6.747 5.630 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.860 6.060 3.882 1.00 0.00 H new ATOM 697 N ASP A 47 -4.093 8.323 2.734 1.00 0.00 N ATOM 698 CA ASP A 47 -4.728 9.456 2.089 1.00 0.00 C ATOM 699 C ASP A 47 -6.121 8.982 1.709 1.00 0.00 C ATOM 700 O ASP A 47 -6.352 8.506 0.592 1.00 0.00 O ATOM 701 CB ASP A 47 -3.960 9.926 0.842 1.00 0.00 C ATOM 702 CG ASP A 47 -2.589 10.523 1.121 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.419 11.266 2.117 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.665 10.294 0.307 1.00 0.00 O ATOM 0 H ASP A 47 -4.080 7.512 2.115 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.750 10.314 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.841 9.079 0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.564 10.668 0.320 1.00 0.00 H new ATOM 709 N ASP A 48 -7.052 9.106 2.653 1.00 0.00 N ATOM 710 CA ASP A 48 -8.451 8.711 2.498 1.00 0.00 C ATOM 711 C ASP A 48 -9.087 9.357 1.277 1.00 0.00 C ATOM 712 O ASP A 48 -9.812 8.703 0.526 1.00 0.00 O ATOM 713 CB ASP A 48 -9.245 9.124 3.740 1.00 0.00 C ATOM 714 CG ASP A 48 -10.621 8.464 3.743 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.530 8.969 3.044 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.803 7.443 4.441 1.00 0.00 O ATOM 0 H ASP A 48 -6.848 9.495 3.573 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.474 7.629 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.698 8.840 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.356 10.208 3.763 1.00 0.00 H new ATOM 721 N ALA A 49 -8.738 10.625 1.049 1.00 0.00 N ATOM 722 CA ALA A 49 -9.226 11.456 -0.049 1.00 0.00 C ATOM 723 C ALA A 49 -9.102 10.793 -1.422 1.00 0.00 C ATOM 724 O ALA A 49 -9.906 11.046 -2.317 1.00 0.00 O ATOM 725 CB ALA A 49 -8.433 12.763 -0.072 1.00 0.00 C ATOM 0 H ALA A 49 -8.080 11.120 1.651 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.287 11.624 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.790 13.391 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.568 13.287 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.375 12.544 -0.218 1.00 0.00 H new ATOM 731 N THR A 50 -8.103 9.935 -1.588 1.00 0.00 N ATOM 732 CA THR A 50 -7.820 9.229 -2.825 1.00 0.00 C ATOM 733 C THR A 50 -7.662 7.724 -2.579 1.00 0.00 C ATOM 734 O THR A 50 -7.181 7.020 -3.474 1.00 0.00 O ATOM 735 CB THR A 50 -6.586 9.906 -3.462 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.193 9.265 -4.659 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.387 9.958 -2.511 1.00 0.00 C ATOM 0 H THR A 50 -7.449 9.706 -0.840 1.00 0.00 H new ATOM 0 HA THR A 50 -8.649 9.296 -3.529 1.00 0.00 H new ATOM 0 HB THR A 50 -6.898 10.926 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.339 8.300 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.548 10.443 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.655 10.523 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.103 8.944 -2.227 1.00 0.00 H new ATOM 745 N LYS A 51 -8.052 7.222 -1.397 1.00 0.00 N ATOM 746 CA LYS A 51 -7.938 5.820 -0.993 1.00 0.00 C ATOM 747 C LYS A 51 -6.566 5.296 -1.402 1.00 0.00 C ATOM 748 O LYS A 51 -6.451 4.362 -2.198 1.00 0.00 O ATOM 749 CB LYS A 51 -9.097 4.983 -1.546 1.00 0.00 C ATOM 750 CG LYS A 51 -10.439 5.475 -0.993 1.00 0.00 C ATOM 751 CD LYS A 51 -11.594 4.547 -1.372 1.00 0.00 C ATOM 752 CE LYS A 51 -11.437 3.163 -0.735 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.748 2.541 -0.476 1.00 0.00 N ATOM 0 H LYS A 51 -8.470 7.806 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.017 5.738 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.105 5.040 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.953 3.935 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.377 5.551 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.641 6.477 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.537 4.990 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.640 4.446 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.851 2.521 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.883 3.251 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.609 1.605 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.296 3.143 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.265 2.436 -1.372 1.00 0.00 H new ATOM 767 N THR A 52 -5.525 5.980 -0.934 1.00 0.00 N ATOM 768 CA THR A 52 -4.157 5.612 -1.239 1.00 0.00 C ATOM 769 C THR A 52 -3.339 5.503 0.042 1.00 0.00 C ATOM 770 O THR A 52 -3.578 6.254 0.984 1.00 0.00 O ATOM 771 CB THR A 52 -3.572 6.681 -2.175 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.359 6.810 -3.348 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.135 6.377 -2.593 1.00 0.00 C ATOM 0 H THR A 52 -5.612 6.801 -0.335 1.00 0.00 H new ATOM 0 HA THR A 52 -4.128 4.639 -1.729 1.00 0.00 H new ATOM 0 HB THR A 52 -3.578 7.611 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.304 6.893 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.774 7.165 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.501 6.327 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.103 5.422 -3.117 1.00 0.00 H new ATOM 781 N PHE A 53 -2.435 4.533 0.107 1.00 0.00 N ATOM 782 CA PHE A 53 -1.502 4.317 1.202 1.00 0.00 C ATOM 783 C PHE A 53 -0.125 4.473 0.565 1.00 0.00 C ATOM 784 O PHE A 53 0.059 4.136 -0.609 1.00 0.00 O ATOM 785 CB PHE A 53 -1.550 2.911 1.814 1.00 0.00 C ATOM 786 CG PHE A 53 -2.843 2.445 2.442 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.135 2.682 3.799 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.694 1.632 1.685 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.280 2.111 4.384 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.839 1.061 2.264 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.134 1.298 3.617 1.00 0.00 C ATOM 0 H PHE A 53 -2.329 3.844 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.742 5.012 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.285 2.199 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.772 2.853 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.479 3.303 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.468 1.442 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.504 2.297 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.493 0.440 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.012 0.858 4.066 1.00 0.00 H new ATOM 801 N THR A 54 0.857 4.916 1.334 1.00 0.00 N ATOM 802 CA THR A 54 2.215 5.085 0.859 1.00 0.00 C ATOM 803 C THR A 54 3.112 4.490 1.933 1.00 0.00 C ATOM 804 O THR A 54 2.837 4.685 3.113 1.00 0.00 O ATOM 805 CB THR A 54 2.505 6.571 0.604 1.00 0.00 C ATOM 806 OG1 THR A 54 1.539 7.151 -0.253 1.00 0.00 O ATOM 807 CG2 THR A 54 3.877 6.776 -0.029 1.00 0.00 C ATOM 0 H THR A 54 0.729 5.170 2.314 1.00 0.00 H new ATOM 0 HA THR A 54 2.389 4.581 -0.092 1.00 0.00 H new ATOM 0 HB THR A 54 2.472 7.055 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.752 8.097 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.046 7.840 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.647 6.385 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.920 6.249 -0.982 1.00 0.00 H new ATOM 815 N VAL A 55 4.150 3.753 1.551 1.00 0.00 N ATOM 816 CA VAL A 55 5.080 3.158 2.499 1.00 0.00 C ATOM 817 C VAL A 55 6.444 3.766 2.218 1.00 0.00 C ATOM 818 O VAL A 55 7.020 3.513 1.158 1.00 0.00 O ATOM 819 CB VAL A 55 5.019 1.619 2.489 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.185 0.978 1.109 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.064 1.039 3.453 1.00 0.00 C ATOM 0 H VAL A 55 4.369 3.553 0.575 1.00 0.00 H new ATOM 0 HA VAL A 55 4.812 3.391 3.530 1.00 0.00 H new ATOM 0 HB VAL A 55 4.009 1.372 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.128 -0.107 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.392 1.327 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.153 1.256 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.010 -0.050 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.060 1.358 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.865 1.397 4.463 1.00 0.00 H new ATOM 831 N THR A 56 6.915 4.641 3.106 1.00 0.00 N ATOM 832 CA THR A 56 8.219 5.274 2.955 1.00 0.00 C ATOM 833 C THR A 56 9.183 4.403 3.767 1.00 0.00 C ATOM 834 O THR A 56 9.127 4.441 5.000 1.00 0.00 O ATOM 835 CB THR A 56 8.249 6.740 3.432 1.00 0.00 C ATOM 836 OG1 THR A 56 6.985 7.383 3.412 1.00 0.00 O ATOM 837 CG2 THR A 56 9.218 7.530 2.546 1.00 0.00 C ATOM 0 H THR A 56 6.406 4.927 3.942 1.00 0.00 H new ATOM 0 HA THR A 56 8.494 5.332 1.902 1.00 0.00 H new ATOM 0 HB THR A 56 8.570 6.719 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.082 8.306 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.247 8.569 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.216 7.097 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.882 7.487 1.510 1.00 0.00 H new ATOM 845 N GLU A 57 9.992 3.561 3.121 1.00 0.00 N ATOM 846 CA GLU A 57 10.948 2.669 3.776 1.00 0.00 C ATOM 847 C GLU A 57 11.914 3.443 4.664 1.00 0.00 C ATOM 848 O GLU A 57 12.042 3.103 5.863 1.00 0.00 O ATOM 849 CB GLU A 57 11.646 1.793 2.736 1.00 0.00 C ATOM 850 CG GLU A 57 12.262 0.566 3.390 1.00 0.00 C ATOM 851 CD GLU A 57 13.214 -0.103 2.411 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.746 -0.836 1.518 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.428 0.206 2.442 1.00 0.00 O ATOM 0 H GLU A 57 10.000 3.479 2.104 1.00 0.00 H new ATOM 0 HA GLU A 57 10.410 1.999 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.930 1.484 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.421 2.369 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.796 0.853 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.480 -0.132 3.689 1.00 0.00 H new TER 860 GLU A 57