USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=20 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 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -149:sc= 0.357 (180deg=-0.838) USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= 0 X(o=0.18,f=0.61) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.613 X(o=0.61,f=0.18) USER MOD Set 3.1: A 17 THR OG1 : rot 167:sc= 0.397 USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.855 (180deg=0.179) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 9 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 2.41 (180deg=2.34) 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 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 130:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0.0178 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc=-0.00772 (180deg=-0.0837) USER MOD Single : A 38 ASN : amide:sc= 0.217 X(o=0.22,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 170:sc= -0.583 USER MOD Single : A 46 TYR OH : rot -140:sc= 1.26 USER MOD Single : A 50 THR OG1 : rot -39:sc= 0.129 USER MOD Single : A 52 THR OG1 : rot 56:sc= 0.921 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 -15.465 -0.377 0.765 1.00 0.00 N ATOM 2 CA MET A 1 -14.945 -1.033 -0.441 1.00 0.00 C ATOM 3 C MET A 1 -14.303 0.014 -1.359 1.00 0.00 C ATOM 4 O MET A 1 -14.093 1.155 -0.931 1.00 0.00 O ATOM 5 CB MET A 1 -16.047 -1.898 -1.094 1.00 0.00 C ATOM 6 CG MET A 1 -15.517 -2.868 -2.162 1.00 0.00 C ATOM 7 SD MET A 1 -16.455 -4.385 -2.435 1.00 0.00 S ATOM 8 CE MET A 1 -15.135 -5.325 -3.265 1.00 0.00 C ATOM 0 H1 MET A 1 -15.427 -1.041 1.565 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.887 0.460 0.982 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.450 -0.085 0.604 1.00 0.00 H new ATOM 0 HA MET A 1 -14.147 -1.734 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.557 -2.469 -0.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.790 -1.243 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.461 -2.331 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.498 -3.145 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.504 -6.316 -3.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.828 -4.800 -4.170 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.281 -5.422 -2.595 1.00 0.00 H new ATOM 18 N GLY A 2 -13.981 -0.356 -2.601 1.00 0.00 N ATOM 19 CA GLY A 2 -13.389 0.489 -3.617 1.00 0.00 C ATOM 20 C GLY A 2 -12.024 -0.016 -4.043 1.00 0.00 C ATOM 21 O GLY A 2 -11.433 -0.891 -3.401 1.00 0.00 O ATOM 0 H GLY A 2 -14.139 -1.307 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.048 0.531 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.298 1.506 -3.236 1.00 0.00 H new ATOM 25 N THR A 3 -11.519 0.548 -5.134 1.00 0.00 N ATOM 26 CA THR A 3 -10.211 0.208 -5.651 1.00 0.00 C ATOM 27 C THR A 3 -9.258 1.103 -4.870 1.00 0.00 C ATOM 28 O THR A 3 -9.345 2.332 -4.934 1.00 0.00 O ATOM 29 CB THR A 3 -10.117 0.440 -7.161 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.259 -0.107 -7.798 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.852 -0.212 -7.728 1.00 0.00 C ATOM 0 H THR A 3 -12.011 1.254 -5.682 1.00 0.00 H new ATOM 0 HA THR A 3 -9.976 -0.849 -5.525 1.00 0.00 H new ATOM 0 HB THR A 3 -10.071 1.513 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.198 0.044 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.803 -0.036 -8.803 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.974 0.221 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.878 -1.285 -7.536 1.00 0.00 H new ATOM 39 N TYR A 4 -8.432 0.483 -4.050 1.00 0.00 N ATOM 40 CA TYR A 4 -7.439 1.139 -3.228 1.00 0.00 C ATOM 41 C TYR A 4 -6.123 1.156 -4.015 1.00 0.00 C ATOM 42 O TYR A 4 -5.946 0.375 -4.956 1.00 0.00 O ATOM 43 CB TYR A 4 -7.299 0.374 -1.911 1.00 0.00 C ATOM 44 CG TYR A 4 -8.400 0.608 -0.900 1.00 0.00 C ATOM 45 CD1 TYR A 4 -9.567 -0.178 -0.897 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.241 1.625 0.058 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.594 0.078 0.026 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.258 1.891 0.985 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.443 1.131 0.954 1.00 0.00 C ATOM 50 OH TYR A 4 -11.459 1.499 1.770 1.00 0.00 O ATOM 0 H TYR A 4 -8.436 -0.531 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.725 2.163 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.255 -0.692 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.347 0.644 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.674 -0.983 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.330 2.205 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.490 -0.525 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.134 2.674 1.718 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.168 2.241 2.340 1.00 0.00 H new ATOM 60 N LYS A 5 -5.162 1.983 -3.597 1.00 0.00 N ATOM 61 CA LYS A 5 -3.859 2.143 -4.246 1.00 0.00 C ATOM 62 C LYS A 5 -2.732 2.129 -3.233 1.00 0.00 C ATOM 63 O LYS A 5 -2.941 2.574 -2.105 1.00 0.00 O ATOM 64 CB LYS A 5 -3.857 3.505 -4.945 1.00 0.00 C ATOM 65 CG LYS A 5 -2.606 3.819 -5.787 1.00 0.00 C ATOM 66 CD LYS A 5 -2.546 5.304 -6.160 1.00 0.00 C ATOM 67 CE LYS A 5 -3.715 5.768 -7.032 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.680 5.143 -8.368 1.00 0.00 N ATOM 0 H LYS A 5 -5.272 2.576 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.705 1.321 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.732 3.563 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.968 4.282 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.711 3.545 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.614 3.214 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.528 5.898 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.612 5.500 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.656 5.523 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.683 6.853 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.457 5.519 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.771 5.356 -8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.787 4.113 -8.272 1.00 0.00 H new ATOM 82 N LEU A 6 -1.569 1.599 -3.598 1.00 0.00 N ATOM 83 CA LEU A 6 -0.375 1.540 -2.763 1.00 0.00 C ATOM 84 C LEU A 6 0.750 2.232 -3.495 1.00 0.00 C ATOM 85 O LEU A 6 0.943 1.985 -4.687 1.00 0.00 O ATOM 86 CB LEU A 6 0.040 0.092 -2.486 1.00 0.00 C ATOM 87 CG LEU A 6 1.359 -0.075 -1.693 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.289 0.572 -0.300 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.714 -1.563 -1.595 1.00 0.00 C ATOM 0 H LEU A 6 -1.427 1.183 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.589 2.025 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.761 -0.400 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.139 -0.429 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 6 2.147 0.448 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.238 0.428 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.091 1.639 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.488 0.109 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.643 -1.679 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.913 -2.095 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.839 -1.974 -2.597 1.00 0.00 H new ATOM 101 N ILE A 7 1.521 3.019 -2.758 1.00 0.00 N ATOM 102 CA ILE A 7 2.669 3.754 -3.253 1.00 0.00 C ATOM 103 C ILE A 7 3.874 3.241 -2.457 1.00 0.00 C ATOM 104 O ILE A 7 4.052 3.536 -1.276 1.00 0.00 O ATOM 105 CB ILE A 7 2.450 5.279 -3.169 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.160 5.708 -3.912 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.672 5.996 -3.767 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.897 7.219 -3.907 1.00 0.00 C ATOM 0 H ILE A 7 1.355 3.166 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 7 2.840 3.583 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 7 2.332 5.557 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.220 5.366 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.308 5.202 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.524 7.075 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.565 5.722 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.794 5.700 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.025 7.430 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.802 7.568 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.727 7.734 -4.390 1.00 0.00 H new ATOM 120 N LEU A 8 4.638 2.349 -3.078 1.00 0.00 N ATOM 121 CA LEU A 8 5.839 1.764 -2.508 1.00 0.00 C ATOM 122 C LEU A 8 6.901 2.836 -2.695 1.00 0.00 C ATOM 123 O LEU A 8 7.309 3.078 -3.829 1.00 0.00 O ATOM 124 CB LEU A 8 6.252 0.486 -3.271 1.00 0.00 C ATOM 125 CG LEU A 8 5.310 -0.702 -3.029 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.315 -1.704 -4.189 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.650 -1.452 -1.755 1.00 0.00 C ATOM 0 H LEU A 8 4.431 2.006 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 8 5.696 1.475 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.283 0.704 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.262 0.205 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 8 4.317 -0.260 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.632 -2.523 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.995 -1.204 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.322 -2.098 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.957 -2.283 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.668 -1.835 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.569 -0.777 -0.903 1.00 0.00 H new ATOM 139 N ASN A 9 7.314 3.501 -1.622 1.00 0.00 N ATOM 140 CA ASN A 9 8.336 4.537 -1.645 1.00 0.00 C ATOM 141 C ASN A 9 9.534 3.956 -0.912 1.00 0.00 C ATOM 142 O ASN A 9 9.804 4.310 0.232 1.00 0.00 O ATOM 143 CB ASN A 9 7.828 5.814 -0.948 1.00 0.00 C ATOM 144 CG ASN A 9 7.050 6.747 -1.852 1.00 0.00 C ATOM 145 OD1 ASN A 9 6.920 6.526 -3.051 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.505 7.807 -1.282 1.00 0.00 N ATOM 0 H ASN A 9 6.937 3.329 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 9 8.597 4.822 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.195 5.529 -0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.681 6.353 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.961 8.464 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.628 7.968 -0.282 1.00 0.00 H new ATOM 153 N GLY A 10 10.261 3.043 -1.558 1.00 0.00 N ATOM 154 CA GLY A 10 11.424 2.426 -0.958 1.00 0.00 C ATOM 155 C GLY A 10 12.719 3.080 -1.392 1.00 0.00 C ATOM 156 O GLY A 10 12.877 3.509 -2.533 1.00 0.00 O ATOM 0 H GLY A 10 10.055 2.719 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.340 2.480 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.448 1.369 -1.224 1.00 0.00 H new ATOM 160 N LYS A 11 13.685 3.091 -0.478 1.00 0.00 N ATOM 161 CA LYS A 11 15.021 3.650 -0.677 1.00 0.00 C ATOM 162 C LYS A 11 15.730 2.935 -1.811 1.00 0.00 C ATOM 163 O LYS A 11 16.577 3.524 -2.479 1.00 0.00 O ATOM 164 CB LYS A 11 15.850 3.456 0.602 1.00 0.00 C ATOM 165 CG LYS A 11 15.300 4.299 1.756 1.00 0.00 C ATOM 166 CD LYS A 11 15.778 3.927 3.160 1.00 0.00 C ATOM 167 CE LYS A 11 15.357 2.502 3.536 1.00 0.00 C ATOM 168 NZ LYS A 11 15.003 2.375 4.963 1.00 0.00 N ATOM 0 H LYS A 11 13.556 2.698 0.454 1.00 0.00 H new ATOM 0 HA LYS A 11 14.920 4.709 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.846 2.403 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.887 3.731 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.561 5.341 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.212 4.234 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.863 4.012 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.369 4.632 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.504 2.206 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.169 1.813 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.614 1.427 5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.853 2.515 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.292 3.093 5.210 1.00 0.00 H new ATOM 182 N THR A 12 15.365 1.681 -2.045 1.00 0.00 N ATOM 183 CA THR A 12 15.937 0.842 -3.066 1.00 0.00 C ATOM 184 C THR A 12 14.917 0.589 -4.172 1.00 0.00 C ATOM 185 O THR A 12 15.253 0.767 -5.342 1.00 0.00 O ATOM 186 CB THR A 12 16.524 -0.419 -2.404 1.00 0.00 C ATOM 187 OG1 THR A 12 15.556 -1.213 -1.740 1.00 0.00 O ATOM 188 CG2 THR A 12 17.582 -0.066 -1.355 1.00 0.00 C ATOM 0 H THR A 12 14.637 1.213 -1.505 1.00 0.00 H new ATOM 0 HA THR A 12 16.771 1.331 -3.570 1.00 0.00 H new ATOM 0 HB THR A 12 16.952 -0.980 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.991 -1.996 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.973 -0.981 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.395 0.483 -1.829 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.132 0.552 -0.578 1.00 0.00 H new ATOM 196 N LEU A 13 13.659 0.257 -3.852 1.00 0.00 N ATOM 197 CA LEU A 13 12.670 -0.019 -4.901 1.00 0.00 C ATOM 198 C LEU A 13 11.341 0.649 -4.625 1.00 0.00 C ATOM 199 O LEU A 13 10.760 0.478 -3.549 1.00 0.00 O ATOM 200 CB LEU A 13 12.485 -1.531 -5.095 1.00 0.00 C ATOM 201 CG LEU A 13 11.464 -1.893 -6.194 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.880 -1.409 -7.582 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.245 -3.406 -6.204 1.00 0.00 C ATOM 0 H LEU A 13 13.308 0.174 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 13 13.060 0.407 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.448 -1.977 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.163 -1.973 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 13 10.534 -1.377 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.121 -1.695 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.984 -0.324 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.833 -1.862 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.524 -3.664 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.191 -3.909 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.864 -3.725 -5.234 1.00 0.00 H new ATOM 215 N LYS A 14 10.870 1.385 -5.629 1.00 0.00 N ATOM 216 CA LYS A 14 9.616 2.113 -5.616 1.00 0.00 C ATOM 217 C LYS A 14 8.674 1.514 -6.660 1.00 0.00 C ATOM 218 O LYS A 14 9.147 0.897 -7.624 1.00 0.00 O ATOM 219 CB LYS A 14 9.848 3.614 -5.893 1.00 0.00 C ATOM 220 CG LYS A 14 10.728 4.354 -4.870 1.00 0.00 C ATOM 221 CD LYS A 14 12.124 4.791 -5.354 1.00 0.00 C ATOM 222 CE LYS A 14 13.110 3.628 -5.547 1.00 0.00 C ATOM 223 NZ LYS A 14 14.489 4.103 -5.786 1.00 0.00 N ATOM 0 H LYS A 14 11.377 1.491 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 14 9.164 2.024 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.304 3.717 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.879 4.110 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.190 5.241 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.855 3.710 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.019 5.326 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.543 5.494 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.095 2.990 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.787 3.015 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.121 3.286 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.510 4.691 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.808 4.666 -4.972 1.00 0.00 H new ATOM 237 N GLY A 15 7.370 1.695 -6.506 1.00 0.00 N ATOM 238 CA GLY A 15 6.362 1.194 -7.433 1.00 0.00 C ATOM 239 C GLY A 15 4.951 1.559 -6.988 1.00 0.00 C ATOM 240 O GLY A 15 4.739 1.998 -5.856 1.00 0.00 O ATOM 0 H GLY A 15 6.974 2.205 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.547 1.603 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.449 0.110 -7.513 1.00 0.00 H new ATOM 244 N GLU A 16 3.955 1.342 -7.840 1.00 0.00 N ATOM 245 CA GLU A 16 2.551 1.615 -7.582 1.00 0.00 C ATOM 246 C GLU A 16 1.736 0.388 -7.976 1.00 0.00 C ATOM 247 O GLU A 16 2.058 -0.276 -8.963 1.00 0.00 O ATOM 248 CB GLU A 16 2.098 2.906 -8.271 1.00 0.00 C ATOM 249 CG GLU A 16 2.640 4.092 -7.464 1.00 0.00 C ATOM 250 CD GLU A 16 2.153 5.450 -7.953 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.924 5.658 -8.065 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.008 6.344 -8.125 1.00 0.00 O ATOM 0 H GLU A 16 4.114 0.954 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 16 2.388 1.795 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.469 2.941 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.010 2.947 -8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.353 3.969 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.729 4.074 -7.499 1.00 0.00 H new ATOM 259 N THR A 17 0.727 0.052 -7.171 1.00 0.00 N ATOM 260 CA THR A 17 -0.167 -1.078 -7.379 1.00 0.00 C ATOM 261 C THR A 17 -1.551 -0.703 -6.843 1.00 0.00 C ATOM 262 O THR A 17 -1.690 0.275 -6.098 1.00 0.00 O ATOM 263 CB THR A 17 0.432 -2.369 -6.762 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.207 -3.504 -7.304 1.00 0.00 O ATOM 265 CG2 THR A 17 0.358 -2.474 -5.232 1.00 0.00 C ATOM 0 H THR A 17 0.506 0.581 -6.327 1.00 0.00 H new ATOM 0 HA THR A 17 -0.281 -1.303 -8.439 1.00 0.00 H new ATOM 0 HB THR A 17 1.490 -2.321 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.304 -4.308 -7.075 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.805 -3.415 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.901 -1.642 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.684 -2.440 -4.915 1.00 0.00 H new ATOM 273 N THR A 18 -2.574 -1.479 -7.190 1.00 0.00 N ATOM 274 CA THR A 18 -3.948 -1.268 -6.767 1.00 0.00 C ATOM 275 C THR A 18 -4.605 -2.615 -6.478 1.00 0.00 C ATOM 276 O THR A 18 -4.203 -3.629 -7.050 1.00 0.00 O ATOM 277 CB THR A 18 -4.727 -0.524 -7.876 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.506 -1.102 -9.151 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.328 0.951 -7.997 1.00 0.00 C ATOM 0 H THR A 18 -2.462 -2.295 -7.791 1.00 0.00 H new ATOM 0 HA THR A 18 -3.960 -0.663 -5.860 1.00 0.00 H new ATOM 0 HB THR A 18 -5.772 -0.607 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.015 -0.608 -9.827 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.908 1.421 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.526 1.460 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.266 1.023 -8.232 1.00 0.00 H new ATOM 287 N THR A 19 -5.568 -2.638 -5.557 1.00 0.00 N ATOM 288 CA THR A 19 -6.321 -3.838 -5.206 1.00 0.00 C ATOM 289 C THR A 19 -7.746 -3.394 -4.861 1.00 0.00 C ATOM 290 O THR A 19 -7.947 -2.285 -4.353 1.00 0.00 O ATOM 291 CB THR A 19 -5.603 -4.629 -4.085 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.920 -6.011 -4.138 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.907 -4.108 -2.677 1.00 0.00 C ATOM 0 H THR A 19 -5.849 -1.813 -5.028 1.00 0.00 H new ATOM 0 HA THR A 19 -6.379 -4.542 -6.036 1.00 0.00 H new ATOM 0 HB THR A 19 -4.540 -4.481 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.094 -6.537 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.371 -4.709 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.589 -3.069 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.978 -4.175 -2.488 1.00 0.00 H new ATOM 301 N GLU A 20 -8.747 -4.217 -5.155 1.00 0.00 N ATOM 302 CA GLU A 20 -10.136 -3.925 -4.841 1.00 0.00 C ATOM 303 C GLU A 20 -10.330 -4.553 -3.474 1.00 0.00 C ATOM 304 O GLU A 20 -10.239 -5.777 -3.358 1.00 0.00 O ATOM 305 CB GLU A 20 -11.084 -4.517 -5.883 1.00 0.00 C ATOM 306 CG GLU A 20 -10.919 -3.769 -7.204 1.00 0.00 C ATOM 307 CD GLU A 20 -11.994 -4.188 -8.195 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.092 -3.581 -8.159 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.736 -5.082 -9.028 1.00 0.00 O ATOM 0 H GLU A 20 -8.613 -5.114 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.357 -2.858 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.871 -5.577 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.115 -4.442 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.977 -2.695 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.933 -3.971 -7.622 1.00 0.00 H new ATOM 316 N ALA A 21 -10.500 -3.738 -2.435 1.00 0.00 N ATOM 317 CA ALA A 21 -10.673 -4.239 -1.081 1.00 0.00 C ATOM 318 C ALA A 21 -12.053 -3.892 -0.569 1.00 0.00 C ATOM 319 O ALA A 21 -12.526 -2.776 -0.779 1.00 0.00 O ATOM 320 CB ALA A 21 -9.628 -3.625 -0.163 1.00 0.00 C ATOM 0 H ALA A 21 -10.521 -2.721 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.555 -5.323 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.764 -4.005 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.632 -3.888 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.738 -2.541 -0.161 1.00 0.00 H new ATOM 326 N VAL A 22 -12.656 -4.822 0.163 1.00 0.00 N ATOM 327 CA VAL A 22 -13.989 -4.673 0.739 1.00 0.00 C ATOM 328 C VAL A 22 -13.986 -3.604 1.824 1.00 0.00 C ATOM 329 O VAL A 22 -14.950 -2.848 1.943 1.00 0.00 O ATOM 330 CB VAL A 22 -14.514 -6.010 1.306 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.774 -7.003 0.169 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.583 -6.662 2.348 1.00 0.00 C ATOM 0 H VAL A 22 -12.223 -5.720 0.378 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.661 -4.362 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.440 -5.764 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.144 -7.941 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.517 -6.589 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.846 -7.186 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.024 -7.596 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.614 -6.866 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.452 -5.986 3.193 1.00 0.00 H new ATOM 342 N ASP A 23 -12.889 -3.494 2.568 1.00 0.00 N ATOM 343 CA ASP A 23 -12.704 -2.552 3.656 1.00 0.00 C ATOM 344 C ASP A 23 -11.264 -2.078 3.618 1.00 0.00 C ATOM 345 O ASP A 23 -10.409 -2.727 3.004 1.00 0.00 O ATOM 346 CB ASP A 23 -12.937 -3.258 5.001 1.00 0.00 C ATOM 347 CG ASP A 23 -14.378 -3.711 5.207 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.309 -2.885 5.077 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.582 -4.890 5.583 1.00 0.00 O ATOM 0 H ASP A 23 -12.072 -4.087 2.419 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.403 -1.722 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.279 -4.124 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.657 -2.583 5.810 1.00 0.00 H new ATOM 354 N ALA A 24 -10.982 -0.966 4.297 1.00 0.00 N ATOM 355 CA ALA A 24 -9.625 -0.437 4.346 1.00 0.00 C ATOM 356 C ALA A 24 -8.699 -1.414 5.088 1.00 0.00 C ATOM 357 O ALA A 24 -7.495 -1.399 4.846 1.00 0.00 O ATOM 358 CB ALA A 24 -9.630 0.939 5.020 1.00 0.00 C ATOM 0 H ALA A 24 -11.670 -0.420 4.815 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.246 -0.322 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.613 1.331 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.262 1.621 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.018 0.846 6.034 1.00 0.00 H new ATOM 364 N ALA A 25 -9.251 -2.269 5.963 1.00 0.00 N ATOM 365 CA ALA A 25 -8.478 -3.241 6.723 1.00 0.00 C ATOM 366 C ALA A 25 -7.916 -4.295 5.766 1.00 0.00 C ATOM 367 O ALA A 25 -6.714 -4.537 5.733 1.00 0.00 O ATOM 368 CB ALA A 25 -9.392 -3.862 7.784 1.00 0.00 C ATOM 0 H ALA A 25 -10.252 -2.299 6.158 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.635 -2.768 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.831 -4.594 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.763 -3.080 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.234 -4.354 7.296 1.00 0.00 H new ATOM 374 N THR A 26 -8.767 -4.881 4.923 1.00 0.00 N ATOM 375 CA THR A 26 -8.374 -5.878 3.938 1.00 0.00 C ATOM 376 C THR A 26 -7.322 -5.272 3.003 1.00 0.00 C ATOM 377 O THR A 26 -6.331 -5.941 2.696 1.00 0.00 O ATOM 378 CB THR A 26 -9.617 -6.356 3.171 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.698 -6.558 4.068 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.359 -7.658 2.413 1.00 0.00 C ATOM 0 H THR A 26 -9.765 -4.670 4.909 1.00 0.00 H new ATOM 0 HA THR A 26 -7.931 -6.746 4.426 1.00 0.00 H new ATOM 0 HB THR A 26 -9.863 -5.578 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.282 -7.265 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.265 -7.958 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.554 -7.507 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.074 -8.439 3.118 1.00 0.00 H new ATOM 388 N ALA A 27 -7.511 -4.000 2.615 1.00 0.00 N ATOM 389 CA ALA A 27 -6.594 -3.303 1.728 1.00 0.00 C ATOM 390 C ALA A 27 -5.218 -3.199 2.372 1.00 0.00 C ATOM 391 O ALA A 27 -4.232 -3.625 1.782 1.00 0.00 O ATOM 392 CB ALA A 27 -7.129 -1.894 1.424 1.00 0.00 C ATOM 0 H ALA A 27 -8.306 -3.435 2.913 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.510 -3.865 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.437 -1.378 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.104 -1.971 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.226 -1.333 2.354 1.00 0.00 H new ATOM 398 N GLU A 28 -5.164 -2.702 3.608 1.00 0.00 N ATOM 399 CA GLU A 28 -3.945 -2.507 4.380 1.00 0.00 C ATOM 400 C GLU A 28 -3.108 -3.785 4.422 1.00 0.00 C ATOM 401 O GLU A 28 -1.903 -3.745 4.168 1.00 0.00 O ATOM 402 CB GLU A 28 -4.347 -2.054 5.794 1.00 0.00 C ATOM 403 CG GLU A 28 -3.141 -1.741 6.680 1.00 0.00 C ATOM 404 CD GLU A 28 -3.534 -1.619 8.145 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.838 -2.669 8.765 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.441 -0.492 8.682 1.00 0.00 O ATOM 0 H GLU A 28 -6.002 -2.415 4.114 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.324 -1.745 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.978 -1.169 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.945 -2.834 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.394 -2.527 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.678 -0.811 6.349 1.00 0.00 H new ATOM 413 N LYS A 29 -3.765 -4.907 4.724 1.00 0.00 N ATOM 414 CA LYS A 29 -3.151 -6.225 4.836 1.00 0.00 C ATOM 415 C LYS A 29 -2.623 -6.699 3.496 1.00 0.00 C ATOM 416 O LYS A 29 -1.476 -7.140 3.417 1.00 0.00 O ATOM 417 CB LYS A 29 -4.195 -7.216 5.355 1.00 0.00 C ATOM 418 CG LYS A 29 -4.618 -6.934 6.800 1.00 0.00 C ATOM 419 CD LYS A 29 -5.676 -7.930 7.265 1.00 0.00 C ATOM 420 CE LYS A 29 -7.054 -7.650 6.667 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.127 -8.370 7.376 1.00 0.00 N ATOM 0 H LYS A 29 -4.769 -4.920 4.902 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.311 -6.162 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.074 -7.181 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.793 -8.227 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.748 -6.990 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.010 -5.920 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.364 -8.938 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.744 -7.900 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.253 -6.579 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.058 -7.940 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.043 -8.149 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.954 -9.394 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.143 -8.075 8.373 1.00 0.00 H new ATOM 435 N VAL A 30 -3.449 -6.631 2.451 1.00 0.00 N ATOM 436 CA VAL A 30 -3.031 -7.056 1.121 1.00 0.00 C ATOM 437 C VAL A 30 -1.804 -6.248 0.719 1.00 0.00 C ATOM 438 O VAL A 30 -0.808 -6.810 0.268 1.00 0.00 O ATOM 439 CB VAL A 30 -4.205 -6.937 0.130 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.763 -6.960 -1.337 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.166 -8.108 0.373 1.00 0.00 C ATOM 0 H VAL A 30 -4.408 -6.286 2.503 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.747 -8.108 1.115 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.683 -5.973 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.637 -6.872 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.087 -6.126 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.249 -7.898 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.004 -8.040 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.640 -9.049 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.538 -8.067 1.397 1.00 0.00 H new ATOM 451 N PHE A 31 -1.846 -4.934 0.923 1.00 0.00 N ATOM 452 CA PHE A 31 -0.740 -4.068 0.587 1.00 0.00 C ATOM 453 C PHE A 31 0.494 -4.415 1.402 1.00 0.00 C ATOM 454 O PHE A 31 1.577 -4.408 0.827 1.00 0.00 O ATOM 455 CB PHE A 31 -1.175 -2.617 0.742 1.00 0.00 C ATOM 456 CG PHE A 31 -2.246 -2.201 -0.247 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.150 -2.528 -1.618 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.315 -1.409 0.202 1.00 0.00 C ATOM 459 CE1 PHE A 31 -3.087 -2.024 -2.533 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.243 -0.900 -0.712 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.125 -1.194 -2.081 1.00 0.00 C ATOM 0 H PHE A 31 -2.649 -4.449 1.325 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.454 -4.217 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.547 -2.463 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.306 -1.970 0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.352 -3.169 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.421 -1.193 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.010 -2.274 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.054 -0.278 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.833 -0.782 -2.785 1.00 0.00 H new ATOM 471 N LYS A 32 0.374 -4.727 2.699 1.00 0.00 N ATOM 472 CA LYS A 32 1.536 -5.100 3.505 1.00 0.00 C ATOM 473 C LYS A 32 2.207 -6.309 2.898 1.00 0.00 C ATOM 474 O LYS A 32 3.413 -6.284 2.677 1.00 0.00 O ATOM 475 CB LYS A 32 1.168 -5.379 4.966 1.00 0.00 C ATOM 476 CG LYS A 32 1.136 -4.074 5.755 1.00 0.00 C ATOM 477 CD LYS A 32 1.570 -4.203 7.208 1.00 0.00 C ATOM 478 CE LYS A 32 1.745 -2.807 7.828 1.00 0.00 C ATOM 479 NZ LYS A 32 0.520 -1.978 7.750 1.00 0.00 N ATOM 0 H LYS A 32 -0.511 -4.728 3.207 1.00 0.00 H new ATOM 0 HA LYS A 32 2.223 -4.254 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.195 -5.868 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.893 -6.063 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.782 -3.349 5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.123 -3.672 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.827 -4.769 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.506 -4.758 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.038 -2.914 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.559 -2.290 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.649 -1.114 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.337 -1.721 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.288 -2.517 8.122 1.00 0.00 H new ATOM 493 N GLN A 33 1.422 -7.338 2.584 1.00 0.00 N ATOM 494 CA GLN A 33 1.934 -8.555 1.999 1.00 0.00 C ATOM 495 C GLN A 33 2.649 -8.197 0.704 1.00 0.00 C ATOM 496 O GLN A 33 3.718 -8.741 0.449 1.00 0.00 O ATOM 497 CB GLN A 33 0.776 -9.535 1.738 1.00 0.00 C ATOM 498 CG GLN A 33 1.205 -10.878 1.119 1.00 0.00 C ATOM 499 CD GLN A 33 1.697 -11.880 2.158 1.00 0.00 C ATOM 500 OE1 GLN A 33 2.912 -11.740 2.652 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 0.965 -12.803 2.520 1.00 0.00 N flip ATOM 0 H GLN A 33 0.413 -7.342 2.732 1.00 0.00 H new ATOM 0 HA GLN A 33 2.636 -9.041 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.263 -9.731 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.055 -9.057 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.363 -11.308 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.996 -10.700 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.028 -12.895 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.296 -13.475 3.213 1.00 0.00 H new ATOM 510 N TYR A 34 2.060 -7.295 -0.085 1.00 0.00 N ATOM 511 CA TYR A 34 2.614 -6.874 -1.363 1.00 0.00 C ATOM 512 C TYR A 34 3.965 -6.201 -1.182 1.00 0.00 C ATOM 513 O TYR A 34 4.936 -6.524 -1.848 1.00 0.00 O ATOM 514 CB TYR A 34 1.641 -5.907 -2.058 1.00 0.00 C ATOM 515 CG TYR A 34 1.681 -5.972 -3.567 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.618 -5.216 -4.298 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.766 -6.804 -4.235 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.645 -5.306 -5.703 1.00 0.00 C ATOM 519 CE2 TYR A 34 0.786 -6.887 -5.634 1.00 0.00 C ATOM 520 CZ TYR A 34 1.728 -6.141 -6.381 1.00 0.00 C ATOM 521 OH TYR A 34 1.738 -6.214 -7.742 1.00 0.00 O ATOM 0 H TYR A 34 1.180 -6.837 0.151 1.00 0.00 H new ATOM 0 HA TYR A 34 2.755 -7.761 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.627 -6.125 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.870 -4.889 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.313 -4.570 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.047 -7.379 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.369 -4.735 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.079 -7.524 -6.144 1.00 0.00 H new ATOM 0 HH TYR A 34 1.042 -6.836 -8.041 1.00 0.00 H new ATOM 531 N ALA A 35 4.042 -5.234 -0.282 1.00 0.00 N ATOM 532 CA ALA A 35 5.266 -4.501 -0.041 1.00 0.00 C ATOM 533 C ALA A 35 6.368 -5.396 0.492 1.00 0.00 C ATOM 534 O ALA A 35 7.471 -5.378 -0.050 1.00 0.00 O ATOM 535 CB ALA A 35 4.942 -3.364 0.896 1.00 0.00 C ATOM 0 H ALA A 35 3.257 -4.938 0.299 1.00 0.00 H new ATOM 0 HA ALA A 35 5.654 -4.102 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.846 -2.790 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.196 -2.715 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.549 -3.764 1.831 1.00 0.00 H new ATOM 541 N ASN A 36 6.060 -6.204 1.503 1.00 0.00 N ATOM 542 CA ASN A 36 7.006 -7.128 2.111 1.00 0.00 C ATOM 543 C ASN A 36 7.518 -8.127 1.068 1.00 0.00 C ATOM 544 O ASN A 36 8.670 -8.546 1.149 1.00 0.00 O ATOM 545 CB ASN A 36 6.366 -7.808 3.334 1.00 0.00 C ATOM 546 CG ASN A 36 6.300 -9.326 3.272 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.013 -9.992 4.006 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.469 -9.915 2.427 1.00 0.00 N ATOM 0 H ASN A 36 5.133 -6.234 1.927 1.00 0.00 H new ATOM 0 HA ASN A 36 7.877 -6.582 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.927 -7.521 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.354 -7.421 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.421 -10.933 2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.877 -9.351 1.817 1.00 0.00 H new ATOM 555 N ASP A 37 6.684 -8.473 0.080 1.00 0.00 N ATOM 556 CA ASP A 37 7.034 -9.402 -0.993 1.00 0.00 C ATOM 557 C ASP A 37 8.133 -8.791 -1.867 1.00 0.00 C ATOM 558 O ASP A 37 8.990 -9.508 -2.383 1.00 0.00 O ATOM 559 CB ASP A 37 5.790 -9.730 -1.826 1.00 0.00 C ATOM 560 CG ASP A 37 6.072 -10.762 -2.914 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.634 -11.838 -2.595 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.722 -10.494 -4.089 1.00 0.00 O ATOM 0 H ASP A 37 5.734 -8.108 0.005 1.00 0.00 H new ATOM 0 HA ASP A 37 7.411 -10.330 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.005 -10.104 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.413 -8.816 -2.285 1.00 0.00 H new ATOM 567 N ASN A 38 8.139 -7.458 -1.992 1.00 0.00 N ATOM 568 CA ASN A 38 9.123 -6.687 -2.758 1.00 0.00 C ATOM 569 C ASN A 38 10.261 -6.178 -1.857 1.00 0.00 C ATOM 570 O ASN A 38 11.144 -5.458 -2.328 1.00 0.00 O ATOM 571 CB ASN A 38 8.460 -5.506 -3.484 1.00 0.00 C ATOM 572 CG ASN A 38 7.446 -5.966 -4.518 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.804 -6.392 -5.613 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.177 -5.909 -4.156 1.00 0.00 N ATOM 0 H ASN A 38 7.435 -6.868 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 38 9.548 -7.359 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.967 -4.863 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.227 -4.904 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.449 -6.226 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.925 -5.548 -3.236 1.00 0.00 H new ATOM 581 N GLY A 39 10.235 -6.488 -0.559 1.00 0.00 N ATOM 582 CA GLY A 39 11.252 -6.092 0.411 1.00 0.00 C ATOM 583 C GLY A 39 11.096 -4.668 0.932 1.00 0.00 C ATOM 584 O GLY A 39 12.091 -4.043 1.318 1.00 0.00 O ATOM 0 H GLY A 39 9.483 -7.038 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.221 -6.781 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.235 -6.194 -0.048 1.00 0.00 H new ATOM 588 N VAL A 40 9.869 -4.149 0.926 1.00 0.00 N ATOM 589 CA VAL A 40 9.523 -2.812 1.372 1.00 0.00 C ATOM 590 C VAL A 40 8.758 -2.924 2.687 1.00 0.00 C ATOM 591 O VAL A 40 7.674 -3.505 2.746 1.00 0.00 O ATOM 592 CB VAL A 40 8.706 -2.092 0.286 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.457 -0.629 0.684 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.397 -2.150 -1.079 1.00 0.00 C ATOM 0 H VAL A 40 9.060 -4.675 0.596 1.00 0.00 H new ATOM 0 HA VAL A 40 10.420 -2.217 1.543 1.00 0.00 H new ATOM 0 HB VAL A 40 7.751 -2.611 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.878 -0.134 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.905 -0.596 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.412 -0.118 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.787 -1.630 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.374 -1.671 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.522 -3.190 -1.379 1.00 0.00 H new ATOM 604 N ASP A 41 9.315 -2.339 3.742 1.00 0.00 N ATOM 605 CA ASP A 41 8.746 -2.338 5.082 1.00 0.00 C ATOM 606 C ASP A 41 9.243 -1.080 5.785 1.00 0.00 C ATOM 607 O ASP A 41 10.289 -1.082 6.438 1.00 0.00 O ATOM 608 CB ASP A 41 9.189 -3.606 5.797 1.00 0.00 C ATOM 609 CG ASP A 41 8.814 -3.584 7.270 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.662 -3.232 7.599 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.662 -4.030 8.075 1.00 0.00 O ATOM 0 H ASP A 41 10.202 -1.838 3.685 1.00 0.00 H new ATOM 0 HA ASP A 41 7.656 -2.329 5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.731 -4.472 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.268 -3.721 5.698 1.00 0.00 H new ATOM 616 N GLY A 42 8.535 0.022 5.560 1.00 0.00 N ATOM 617 CA GLY A 42 8.840 1.333 6.099 1.00 0.00 C ATOM 618 C GLY A 42 7.669 1.903 6.873 1.00 0.00 C ATOM 619 O GLY A 42 6.873 1.164 7.448 1.00 0.00 O ATOM 0 H GLY A 42 7.701 0.021 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.710 1.265 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.103 2.009 5.286 1.00 0.00 H new ATOM 623 N GLU A 43 7.598 3.227 6.919 1.00 0.00 N ATOM 624 CA GLU A 43 6.557 3.970 7.598 1.00 0.00 C ATOM 625 C GLU A 43 5.337 4.058 6.682 1.00 0.00 C ATOM 626 O GLU A 43 5.359 4.748 5.657 1.00 0.00 O ATOM 627 CB GLU A 43 7.097 5.349 7.989 1.00 0.00 C ATOM 628 CG GLU A 43 6.134 6.116 8.906 1.00 0.00 C ATOM 629 CD GLU A 43 6.693 7.472 9.341 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.933 7.635 9.467 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.900 8.421 9.547 1.00 0.00 O ATOM 0 H GLU A 43 8.288 3.828 6.469 1.00 0.00 H new ATOM 0 HA GLU A 43 6.249 3.468 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.057 5.231 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.279 5.934 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.187 6.267 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.922 5.514 9.790 1.00 0.00 H new ATOM 638 N TRP A 44 4.294 3.310 7.029 1.00 0.00 N ATOM 639 CA TRP A 44 3.039 3.264 6.307 1.00 0.00 C ATOM 640 C TRP A 44 2.206 4.484 6.679 1.00 0.00 C ATOM 641 O TRP A 44 2.058 4.821 7.862 1.00 0.00 O ATOM 642 CB TRP A 44 2.269 1.984 6.643 1.00 0.00 C ATOM 643 CG TRP A 44 2.915 0.733 6.143 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.992 0.138 6.695 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.615 -0.037 4.945 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.373 -0.948 5.947 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.561 -1.100 4.853 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.666 0.073 3.906 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.561 -2.013 3.798 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.640 -0.865 2.857 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.590 -1.890 2.797 1.00 0.00 C ATOM 0 H TRP A 44 4.305 2.702 7.848 1.00 0.00 H new ATOM 0 HA TRP A 44 3.243 3.268 5.236 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.156 1.914 7.725 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.266 2.055 6.222 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.485 0.469 7.597 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.156 -1.560 6.175 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.953 0.884 3.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.298 -2.801 3.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.881 -0.793 2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.574 -2.590 1.975 1.00 0.00 H new ATOM 662 N THR A 45 1.559 5.071 5.684 1.00 0.00 N ATOM 663 CA THR A 45 0.707 6.243 5.779 1.00 0.00 C ATOM 664 C THR A 45 -0.658 5.880 5.177 1.00 0.00 C ATOM 665 O THR A 45 -0.972 4.694 5.008 1.00 0.00 O ATOM 666 CB THR A 45 1.404 7.430 5.078 1.00 0.00 C ATOM 667 OG1 THR A 45 1.289 7.301 3.683 1.00 0.00 O ATOM 668 CG2 THR A 45 2.888 7.565 5.442 1.00 0.00 C ATOM 0 H THR A 45 1.620 4.718 4.729 1.00 0.00 H new ATOM 0 HA THR A 45 0.539 6.554 6.810 1.00 0.00 H new ATOM 0 HB THR A 45 0.898 8.329 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.588 8.129 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.316 8.418 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.987 7.716 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.418 6.657 5.153 1.00 0.00 H new ATOM 676 N TYR A 46 -1.520 6.869 4.939 1.00 0.00 N ATOM 677 CA TYR A 46 -2.836 6.714 4.344 1.00 0.00 C ATOM 678 C TYR A 46 -3.309 8.099 3.919 1.00 0.00 C ATOM 679 O TYR A 46 -3.042 9.086 4.610 1.00 0.00 O ATOM 680 CB TYR A 46 -3.826 6.068 5.323 1.00 0.00 C ATOM 681 CG TYR A 46 -5.227 5.827 4.792 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.430 4.986 3.680 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.334 6.416 5.434 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.730 4.754 3.192 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.635 6.166 4.966 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.841 5.351 3.829 1.00 0.00 C ATOM 687 OH TYR A 46 -9.098 5.171 3.331 1.00 0.00 O ATOM 0 H TYR A 46 -1.305 7.840 5.168 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.781 6.048 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.413 5.113 5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.898 6.702 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.584 4.517 3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.182 7.061 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.878 4.120 2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.482 6.599 5.477 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.600 6.010 3.398 1.00 0.00 H new ATOM 697 N ASP A 47 -4.035 8.151 2.811 1.00 0.00 N ATOM 698 CA ASP A 47 -4.626 9.320 2.189 1.00 0.00 C ATOM 699 C ASP A 47 -6.040 8.894 1.863 1.00 0.00 C ATOM 700 O ASP A 47 -6.321 8.395 0.770 1.00 0.00 O ATOM 701 CB ASP A 47 -3.912 9.733 0.900 1.00 0.00 C ATOM 702 CG ASP A 47 -2.702 10.617 1.135 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.822 11.604 1.892 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.708 10.460 0.394 1.00 0.00 O ATOM 0 H ASP A 47 -4.241 7.303 2.282 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.562 10.183 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.599 8.837 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.617 10.259 0.256 1.00 0.00 H new ATOM 709 N ASP A 48 -6.938 9.062 2.829 1.00 0.00 N ATOM 710 CA ASP A 48 -8.341 8.694 2.685 1.00 0.00 C ATOM 711 C ASP A 48 -8.995 9.384 1.501 1.00 0.00 C ATOM 712 O ASP A 48 -9.813 8.798 0.792 1.00 0.00 O ATOM 713 CB ASP A 48 -9.095 9.101 3.938 1.00 0.00 C ATOM 714 CG ASP A 48 -10.506 8.528 3.890 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.667 7.280 3.897 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.445 9.345 3.749 1.00 0.00 O ATOM 0 H ASP A 48 -6.710 9.460 3.740 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.380 7.616 2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.573 8.738 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.135 10.188 4.015 1.00 0.00 H new ATOM 721 N ALA A 49 -8.573 10.623 1.264 1.00 0.00 N ATOM 722 CA ALA A 49 -9.037 11.493 0.188 1.00 0.00 C ATOM 723 C ALA A 49 -8.992 10.811 -1.179 1.00 0.00 C ATOM 724 O ALA A 49 -9.785 11.141 -2.061 1.00 0.00 O ATOM 725 CB ALA A 49 -8.128 12.719 0.114 1.00 0.00 C ATOM 0 H ALA A 49 -7.864 11.069 1.846 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.070 11.756 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.467 13.375 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.163 13.256 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.104 12.402 -0.085 1.00 0.00 H new ATOM 731 N THR A 50 -8.068 9.876 -1.382 1.00 0.00 N ATOM 732 CA THR A 50 -7.881 9.144 -2.625 1.00 0.00 C ATOM 733 C THR A 50 -7.678 7.647 -2.307 1.00 0.00 C ATOM 734 O THR A 50 -7.178 6.891 -3.144 1.00 0.00 O ATOM 735 CB THR A 50 -6.753 9.868 -3.399 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.568 9.356 -4.698 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.424 9.877 -2.637 1.00 0.00 C ATOM 0 H THR A 50 -7.406 9.599 -0.657 1.00 0.00 H new ATOM 0 HA THR A 50 -8.746 9.142 -3.288 1.00 0.00 H new ATOM 0 HB THR A 50 -7.091 10.900 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.660 8.380 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.670 10.398 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.555 10.388 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.100 8.852 -2.458 1.00 0.00 H new ATOM 745 N LYS A 51 -8.088 7.207 -1.102 1.00 0.00 N ATOM 746 CA LYS A 51 -7.994 5.854 -0.549 1.00 0.00 C ATOM 747 C LYS A 51 -6.718 5.157 -1.024 1.00 0.00 C ATOM 748 O LYS A 51 -6.736 4.119 -1.691 1.00 0.00 O ATOM 749 CB LYS A 51 -9.296 5.066 -0.727 1.00 0.00 C ATOM 750 CG LYS A 51 -9.997 5.260 -2.072 1.00 0.00 C ATOM 751 CD LYS A 51 -11.029 4.153 -2.346 1.00 0.00 C ATOM 752 CE LYS A 51 -12.319 4.264 -1.514 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.203 3.832 -0.101 1.00 0.00 N ATOM 0 H LYS A 51 -8.529 7.846 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.887 5.916 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.080 4.005 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.985 5.350 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.493 6.230 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.255 5.270 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.291 4.172 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.567 3.186 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.655 5.301 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.094 3.668 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.113 3.444 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.467 3.101 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.947 4.647 0.491 1.00 0.00 H new ATOM 767 N THR A 52 -5.593 5.777 -0.691 1.00 0.00 N ATOM 768 CA THR A 52 -4.265 5.321 -1.048 1.00 0.00 C ATOM 769 C THR A 52 -3.402 5.222 0.206 1.00 0.00 C ATOM 770 O THR A 52 -3.647 5.960 1.158 1.00 0.00 O ATOM 771 CB THR A 52 -3.671 6.372 -2.010 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.430 6.491 -3.203 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.220 6.104 -2.417 1.00 0.00 C ATOM 0 H THR A 52 -5.585 6.640 -0.147 1.00 0.00 H new ATOM 0 HA THR A 52 -4.301 4.338 -1.518 1.00 0.00 H new ATOM 0 HB THR A 52 -3.705 7.295 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.360 6.705 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.881 6.889 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.589 6.093 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.155 5.139 -2.920 1.00 0.00 H new ATOM 781 N PHE A 53 -2.425 4.317 0.228 1.00 0.00 N ATOM 782 CA PHE A 53 -1.479 4.176 1.332 1.00 0.00 C ATOM 783 C PHE A 53 -0.106 4.315 0.696 1.00 0.00 C ATOM 784 O PHE A 53 0.072 3.949 -0.470 1.00 0.00 O ATOM 785 CB PHE A 53 -1.499 2.833 2.077 1.00 0.00 C ATOM 786 CG PHE A 53 -2.805 2.349 2.683 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.917 2.051 1.874 1.00 0.00 C ATOM 788 CD2 PHE A 53 -2.874 2.101 4.065 1.00 0.00 C ATOM 789 CE1 PHE A 53 -5.088 1.515 2.441 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.045 1.574 4.639 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.153 1.279 3.826 1.00 0.00 C ATOM 0 H PHE A 53 -2.267 3.653 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.743 4.922 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.153 2.066 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.764 2.891 2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.871 2.235 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.021 2.317 4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.936 1.285 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.093 1.396 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.052 0.872 4.264 1.00 0.00 H new ATOM 801 N THR A 54 0.862 4.783 1.468 1.00 0.00 N ATOM 802 CA THR A 54 2.226 4.943 1.005 1.00 0.00 C ATOM 803 C THR A 54 3.090 4.308 2.082 1.00 0.00 C ATOM 804 O THR A 54 2.773 4.438 3.261 1.00 0.00 O ATOM 805 CB THR A 54 2.545 6.431 0.786 1.00 0.00 C ATOM 806 OG1 THR A 54 1.567 7.037 -0.041 1.00 0.00 O ATOM 807 CG2 THR A 54 3.931 6.683 0.195 1.00 0.00 C ATOM 0 H THR A 54 0.720 5.063 2.438 1.00 0.00 H new ATOM 0 HA THR A 54 2.406 4.465 0.042 1.00 0.00 H new ATOM 0 HB THR A 54 2.534 6.881 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.786 7.984 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.084 7.755 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.691 6.285 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.009 6.189 -0.774 1.00 0.00 H new ATOM 815 N VAL A 55 4.125 3.569 1.702 1.00 0.00 N ATOM 816 CA VAL A 55 5.045 2.936 2.631 1.00 0.00 C ATOM 817 C VAL A 55 6.384 3.554 2.293 1.00 0.00 C ATOM 818 O VAL A 55 6.936 3.306 1.220 1.00 0.00 O ATOM 819 CB VAL A 55 4.974 1.406 2.597 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.073 0.775 1.212 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.043 0.813 3.527 1.00 0.00 C ATOM 0 H VAL A 55 4.350 3.391 0.723 1.00 0.00 H new ATOM 0 HA VAL A 55 4.802 3.119 3.678 1.00 0.00 H new ATOM 0 HB VAL A 55 3.971 1.159 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.012 -0.310 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.254 1.134 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.024 1.049 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.987 -0.275 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.031 1.134 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.871 1.158 4.546 1.00 0.00 H new ATOM 831 N THR A 56 6.837 4.426 3.182 1.00 0.00 N ATOM 832 CA THR A 56 8.080 5.143 3.030 1.00 0.00 C ATOM 833 C THR A 56 9.207 4.430 3.763 1.00 0.00 C ATOM 834 O THR A 56 9.285 4.471 4.994 1.00 0.00 O ATOM 835 CB THR A 56 7.941 6.580 3.532 1.00 0.00 C ATOM 836 OG1 THR A 56 6.633 7.104 3.349 1.00 0.00 O ATOM 837 CG2 THR A 56 8.941 7.459 2.787 1.00 0.00 C ATOM 0 H THR A 56 6.337 4.654 4.041 1.00 0.00 H new ATOM 0 HA THR A 56 8.326 5.172 1.968 1.00 0.00 H new ATOM 0 HB THR A 56 8.138 6.575 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.598 8.023 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.852 8.488 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.952 7.098 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.734 7.420 1.718 1.00 0.00 H new ATOM 845 N GLU A 57 9.973 3.647 3.020 1.00 0.00 N ATOM 846 CA GLU A 57 11.126 2.932 3.534 1.00 0.00 C ATOM 847 C GLU A 57 12.176 4.024 3.680 1.00 0.00 C ATOM 848 O GLU A 57 12.896 4.019 4.692 1.00 0.00 O ATOM 849 CB GLU A 57 11.536 1.784 2.581 1.00 0.00 C ATOM 850 CG GLU A 57 11.692 0.422 3.272 1.00 0.00 C ATOM 851 CD GLU A 57 13.138 0.110 3.649 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.942 -0.131 2.720 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.481 0.129 4.850 1.00 0.00 O ATOM 0 H GLU A 57 9.806 3.489 2.026 1.00 0.00 H new ATOM 0 HA GLU A 57 10.952 2.424 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.788 1.696 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.478 2.045 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.075 0.403 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.317 -0.360 2.612 1.00 0.00 H new TER 860 GLU A 57