USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 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 27 THR OG1 : rot 137:sc= 0.956 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.829 K(o=1.8,f=-1.4) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.709 K(o=1.6,f=-7.5!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 160:sc= 0.918 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.431 K(o=0.43,f=-0.072) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -150:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0675 X(o=-0.067,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.506 (180deg=-0.234) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0067 K(o=-0.0067,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.954 11.761 -6.933 1.00 0.00 N ATOM 2 CA PHE A 17 35.066 10.896 -6.079 1.00 0.00 C ATOM 3 C PHE A 17 33.682 11.451 -5.740 1.00 0.00 C ATOM 4 O PHE A 17 33.525 12.465 -5.061 1.00 0.00 O ATOM 5 CB PHE A 17 35.888 10.553 -4.797 1.00 0.00 C ATOM 6 CG PHE A 17 35.151 9.743 -3.758 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.612 8.486 -4.072 1.00 0.00 C ATOM 8 CD2 PHE A 17 35.022 10.231 -2.445 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.946 7.736 -3.095 1.00 0.00 C ATOM 10 CE2 PHE A 17 34.365 9.478 -1.463 1.00 0.00 C ATOM 11 CZ PHE A 17 33.827 8.228 -1.789 1.00 0.00 C ATOM 0 HA PHE A 17 34.806 10.014 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.782 10.005 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 17 36.222 11.484 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.711 8.095 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.434 11.197 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.523 6.775 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.274 9.861 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.321 7.644 -1.035 1.00 0.00 H new ATOM 23 N ASP A 18 32.628 10.730 -6.191 1.00 0.00 N ATOM 24 CA ASP A 18 31.294 10.815 -5.639 1.00 0.00 C ATOM 25 C ASP A 18 30.931 9.415 -5.176 1.00 0.00 C ATOM 26 O ASP A 18 31.460 8.426 -5.688 1.00 0.00 O ATOM 27 CB ASP A 18 30.255 11.326 -6.671 1.00 0.00 C ATOM 28 CG ASP A 18 30.532 12.779 -7.037 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.846 13.035 -8.229 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.376 13.646 -6.139 1.00 0.00 O ATOM 0 H ASP A 18 32.703 10.067 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 18 31.279 11.534 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.290 10.707 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.250 11.234 -6.259 1.00 0.00 H new ATOM 35 N VAL A 19 30.017 9.300 -4.190 1.00 0.00 N ATOM 36 CA VAL A 19 29.514 8.019 -3.740 1.00 0.00 C ATOM 37 C VAL A 19 28.002 8.106 -3.761 1.00 0.00 C ATOM 38 O VAL A 19 27.410 9.099 -3.338 1.00 0.00 O ATOM 39 CB VAL A 19 30.079 7.621 -2.371 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.726 8.633 -1.260 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.649 6.189 -2.001 1.00 0.00 C ATOM 0 H VAL A 19 29.619 10.099 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 19 29.844 7.221 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 19 31.166 7.639 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.152 8.299 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.133 9.611 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.643 8.705 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.060 5.926 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.561 6.134 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.021 5.492 -2.752 1.00 0.00 H new ATOM 51 N VAL A 20 27.345 7.076 -4.333 1.00 0.00 N ATOM 52 CA VAL A 20 25.901 7.000 -4.498 1.00 0.00 C ATOM 53 C VAL A 20 25.471 5.614 -4.075 1.00 0.00 C ATOM 54 O VAL A 20 26.299 4.710 -3.991 1.00 0.00 O ATOM 55 CB VAL A 20 25.425 7.295 -5.922 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.795 8.746 -6.298 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.043 6.291 -6.918 1.00 0.00 C ATOM 0 H VAL A 20 27.830 6.257 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 20 25.445 7.773 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 20 24.342 7.185 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.456 8.957 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.314 9.436 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.876 8.872 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.693 6.516 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.130 6.368 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.743 5.279 -6.647 1.00 0.00 H new ATOM 67 N SER A 21 24.171 5.390 -3.771 1.00 0.00 N ATOM 68 CA SER A 21 23.703 4.066 -3.381 1.00 0.00 C ATOM 69 C SER A 21 23.553 3.114 -4.565 1.00 0.00 C ATOM 70 O SER A 21 23.381 3.527 -5.709 1.00 0.00 O ATOM 71 CB SER A 21 22.371 4.107 -2.571 1.00 0.00 C ATOM 72 OG SER A 21 21.254 4.564 -3.333 1.00 0.00 O ATOM 0 H SER A 21 23.446 6.107 -3.792 1.00 0.00 H new ATOM 0 HA SER A 21 24.487 3.679 -2.730 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.156 3.109 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.501 4.757 -1.706 1.00 0.00 H new ATOM 0 HG SER A 21 20.452 4.565 -2.770 1.00 0.00 H new ATOM 78 N CYS A 22 23.631 1.788 -4.299 1.00 0.00 N ATOM 79 CA CYS A 22 23.567 0.750 -5.319 1.00 0.00 C ATOM 80 C CYS A 22 22.384 -0.168 -5.035 1.00 0.00 C ATOM 81 O CYS A 22 22.387 -1.347 -5.378 1.00 0.00 O ATOM 82 CB CYS A 22 24.920 -0.019 -5.331 1.00 0.00 C ATOM 83 SG CYS A 22 25.194 -1.196 -6.695 1.00 0.00 S ATOM 0 H CYS A 22 23.741 1.420 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 22 23.413 1.182 -6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.726 0.715 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.008 -0.564 -4.391 1.00 0.00 H new ATOM 88 N ASN A 23 21.331 0.388 -4.385 1.00 0.00 N ATOM 89 CA ASN A 23 20.021 -0.197 -4.104 1.00 0.00 C ATOM 90 C ASN A 23 19.989 -1.628 -3.558 1.00 0.00 C ATOM 91 O ASN A 23 19.093 -2.404 -3.891 1.00 0.00 O ATOM 92 CB ASN A 23 19.057 -0.042 -5.335 1.00 0.00 C ATOM 93 CG ASN A 23 19.526 -0.707 -6.639 1.00 0.00 C ATOM 94 OD1 ASN A 23 19.917 -0.026 -7.590 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.448 -2.061 -6.692 1.00 0.00 N ATOM 0 H ASN A 23 21.395 1.338 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 23 19.665 0.395 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.086 -0.457 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.908 1.021 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.719 -2.555 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.119 -2.585 -5.881 1.00 0.00 H new ATOM 102 N LYS A 24 20.955 -2.019 -2.697 1.00 0.00 N ATOM 103 CA LYS A 24 21.103 -3.411 -2.321 1.00 0.00 C ATOM 104 C LYS A 24 21.445 -3.496 -0.842 1.00 0.00 C ATOM 105 O LYS A 24 22.228 -2.703 -0.316 1.00 0.00 O ATOM 106 CB LYS A 24 22.200 -4.089 -3.181 1.00 0.00 C ATOM 107 CG LYS A 24 22.330 -5.611 -3.018 1.00 0.00 C ATOM 108 CD LYS A 24 21.202 -6.349 -3.759 1.00 0.00 C ATOM 109 CE LYS A 24 21.297 -7.868 -3.637 1.00 0.00 C ATOM 110 NZ LYS A 24 20.220 -8.495 -4.426 1.00 0.00 N ATOM 0 H LYS A 24 21.628 -1.387 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 24 20.166 -3.938 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.000 -3.870 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.160 -3.633 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.296 -5.939 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.303 -5.869 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.241 -6.019 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.227 -6.073 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.269 -8.212 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.216 -8.165 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.286 -9.530 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.297 -8.176 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.317 -8.222 -5.425 1.00 0.00 H new ATOM 124 N ASN A 25 20.823 -4.467 -0.135 1.00 0.00 N ATOM 125 CA ASN A 25 20.919 -4.683 1.296 1.00 0.00 C ATOM 126 C ASN A 25 22.067 -5.651 1.565 1.00 0.00 C ATOM 127 O ASN A 25 22.049 -6.770 1.055 1.00 0.00 O ATOM 128 CB ASN A 25 19.553 -5.259 1.788 1.00 0.00 C ATOM 129 CG ASN A 25 19.367 -5.382 3.306 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.572 -4.642 3.894 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.074 -6.345 3.951 1.00 0.00 N ATOM 0 H ASN A 25 20.213 -5.148 -0.587 1.00 0.00 H new ATOM 0 HA ASN A 25 21.123 -3.757 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.756 -4.627 1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.421 -6.247 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.958 -6.477 4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.722 -6.937 3.431 1.00 0.00 H new ATOM 138 N CYS A 26 23.075 -5.268 2.389 1.00 0.00 N ATOM 139 CA CYS A 26 24.151 -6.176 2.765 1.00 0.00 C ATOM 140 C CYS A 26 24.027 -6.467 4.251 1.00 0.00 C ATOM 141 O CYS A 26 23.208 -5.870 4.946 1.00 0.00 O ATOM 142 CB CYS A 26 25.591 -5.639 2.449 1.00 0.00 C ATOM 143 SG CYS A 26 26.212 -4.274 3.495 1.00 0.00 S ATOM 0 H CYS A 26 23.151 -4.336 2.797 1.00 0.00 H new ATOM 0 HA CYS A 26 24.037 -7.076 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.289 -6.472 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.609 -5.306 1.411 1.00 0.00 H new ATOM 148 N THR A 27 24.833 -7.417 4.770 1.00 0.00 N ATOM 149 CA THR A 27 24.997 -7.609 6.204 1.00 0.00 C ATOM 150 C THR A 27 26.503 -7.644 6.354 1.00 0.00 C ATOM 151 O THR A 27 27.195 -8.144 5.462 1.00 0.00 O ATOM 152 CB THR A 27 24.446 -8.906 6.782 1.00 0.00 C ATOM 153 OG1 THR A 27 23.091 -9.115 6.409 1.00 0.00 O ATOM 154 CG2 THR A 27 24.436 -8.865 8.327 1.00 0.00 C ATOM 0 H THR A 27 25.380 -8.063 4.201 1.00 0.00 H new ATOM 0 HA THR A 27 24.451 -6.830 6.735 1.00 0.00 H new ATOM 0 HB THR A 27 25.092 -9.695 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.964 -10.051 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 27 24.038 -9.803 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.453 -8.724 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.810 -8.039 8.665 1.00 0.00 H new ATOM 162 N SER A 28 27.060 -7.135 7.473 1.00 0.00 N ATOM 163 CA SER A 28 28.486 -6.961 7.708 1.00 0.00 C ATOM 164 C SER A 28 29.327 -8.226 7.663 1.00 0.00 C ATOM 165 O SER A 28 30.492 -8.166 7.287 1.00 0.00 O ATOM 166 CB SER A 28 28.722 -6.272 9.074 1.00 0.00 C ATOM 167 OG SER A 28 28.248 -7.056 10.171 1.00 0.00 O ATOM 0 H SER A 28 26.494 -6.825 8.263 1.00 0.00 H new ATOM 0 HA SER A 28 28.818 -6.347 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.787 -6.081 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.221 -5.304 9.080 1.00 0.00 H new ATOM 0 HG SER A 28 27.970 -6.464 10.901 1.00 0.00 H new ATOM 173 N GLY A 29 28.759 -9.395 8.041 1.00 0.00 N ATOM 174 CA GLY A 29 29.443 -10.680 7.945 1.00 0.00 C ATOM 175 C GLY A 29 29.163 -11.434 6.669 1.00 0.00 C ATOM 176 O GLY A 29 29.682 -12.529 6.479 1.00 0.00 O ATOM 0 H GLY A 29 27.814 -9.460 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.517 -10.515 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 29 29.149 -11.300 8.792 1.00 0.00 H new ATOM 180 N GLN A 30 28.314 -10.883 5.773 1.00 0.00 N ATOM 181 CA GLN A 30 27.970 -11.513 4.506 1.00 0.00 C ATOM 182 C GLN A 30 28.601 -10.775 3.338 1.00 0.00 C ATOM 183 O GLN A 30 29.084 -11.400 2.398 1.00 0.00 O ATOM 184 CB GLN A 30 26.432 -11.578 4.297 1.00 0.00 C ATOM 185 CG GLN A 30 25.725 -12.498 5.322 1.00 0.00 C ATOM 186 CD GLN A 30 24.208 -12.521 5.107 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.462 -11.808 5.783 1.00 0.00 O ATOM 188 NE2 GLN A 30 23.739 -13.358 4.146 1.00 0.00 N ATOM 0 H GLN A 30 27.853 -9.985 5.921 1.00 0.00 H new ATOM 0 HA GLN A 30 28.362 -12.529 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 30 26.017 -10.573 4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.222 -11.936 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.121 -13.510 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.945 -12.154 6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.389 -13.932 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.737 -13.413 3.962 1.00 0.00 H new ATOM 197 N ASN A 31 28.588 -9.418 3.376 1.00 0.00 N ATOM 198 CA ASN A 31 29.221 -8.507 2.425 1.00 0.00 C ATOM 199 C ASN A 31 28.784 -8.684 0.971 1.00 0.00 C ATOM 200 O ASN A 31 29.570 -8.491 0.045 1.00 0.00 O ATOM 201 CB ASN A 31 30.778 -8.587 2.486 1.00 0.00 C ATOM 202 CG ASN A 31 31.354 -8.249 3.864 1.00 0.00 C ATOM 203 OD1 ASN A 31 32.210 -8.979 4.369 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.899 -7.129 4.483 1.00 0.00 N ATOM 0 H ASN A 31 28.104 -8.915 4.120 1.00 0.00 H new ATOM 0 HA ASN A 31 28.875 -7.526 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 31 31.093 -9.592 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 31 31.198 -7.904 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.267 -6.867 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.190 -6.550 4.033 1.00 0.00 H new ATOM 211 N GLU A 32 27.498 -9.016 0.723 1.00 0.00 N ATOM 212 CA GLU A 32 26.996 -9.211 -0.625 1.00 0.00 C ATOM 213 C GLU A 32 26.530 -7.902 -1.237 1.00 0.00 C ATOM 214 O GLU A 32 25.556 -7.300 -0.790 1.00 0.00 O ATOM 215 CB GLU A 32 25.818 -10.223 -0.647 1.00 0.00 C ATOM 216 CG GLU A 32 26.208 -11.675 -0.252 1.00 0.00 C ATOM 217 CD GLU A 32 27.061 -12.423 -1.285 1.00 0.00 C ATOM 218 OE1 GLU A 32 27.341 -11.862 -2.376 1.00 0.00 O ATOM 219 OE2 GLU A 32 27.413 -13.593 -0.982 1.00 0.00 O ATOM 0 H GLU A 32 26.798 -9.151 1.453 1.00 0.00 H new ATOM 0 HA GLU A 32 27.824 -9.608 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.041 -9.872 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.385 -10.236 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.752 -11.645 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.296 -12.245 -0.076 1.00 0.00 H new ATOM 226 N CYS A 33 27.222 -7.457 -2.306 1.00 0.00 N ATOM 227 CA CYS A 33 26.820 -6.369 -3.171 1.00 0.00 C ATOM 228 C CYS A 33 27.078 -6.856 -4.587 1.00 0.00 C ATOM 229 O CYS A 33 27.901 -7.762 -4.737 1.00 0.00 O ATOM 230 CB CYS A 33 27.622 -5.062 -2.914 1.00 0.00 C ATOM 231 SG CYS A 33 27.377 -4.374 -1.246 1.00 0.00 S ATOM 0 H CYS A 33 28.109 -7.874 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 33 25.775 -6.118 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.683 -5.261 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.330 -4.315 -3.653 1.00 0.00 H new ATOM 236 N PRO A 34 26.446 -6.354 -5.650 1.00 0.00 N ATOM 237 CA PRO A 34 26.812 -6.697 -7.024 1.00 0.00 C ATOM 238 C PRO A 34 28.153 -6.086 -7.414 1.00 0.00 C ATOM 239 O PRO A 34 28.635 -5.171 -6.747 1.00 0.00 O ATOM 240 CB PRO A 34 25.656 -6.114 -7.856 1.00 0.00 C ATOM 241 CG PRO A 34 25.173 -4.919 -7.032 1.00 0.00 C ATOM 242 CD PRO A 34 25.309 -5.429 -5.599 1.00 0.00 C ATOM 0 HA PRO A 34 26.941 -7.769 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.992 -5.806 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.861 -6.845 -8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.783 -4.033 -7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.144 -4.650 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.492 -4.612 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.401 -5.933 -5.268 1.00 0.00 H new ATOM 250 N GLU A 35 28.800 -6.601 -8.486 1.00 0.00 N ATOM 251 CA GLU A 35 30.134 -6.186 -8.885 1.00 0.00 C ATOM 252 C GLU A 35 30.209 -4.712 -9.273 1.00 0.00 C ATOM 253 O GLU A 35 29.375 -4.194 -10.012 1.00 0.00 O ATOM 254 CB GLU A 35 30.654 -7.077 -10.051 1.00 0.00 C ATOM 255 CG GLU A 35 32.091 -6.791 -10.574 1.00 0.00 C ATOM 256 CD GLU A 35 33.194 -7.006 -9.533 1.00 0.00 C ATOM 257 OE1 GLU A 35 33.278 -6.179 -8.587 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.967 -7.985 -9.692 1.00 0.00 O ATOM 0 H GLU A 35 28.396 -7.317 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 35 30.775 -6.315 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.613 -8.117 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 35 29.963 -6.976 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 35 32.287 -7.433 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.138 -5.761 -10.929 1.00 0.00 H new ATOM 265 N GLY A 36 31.232 -4.002 -8.739 1.00 0.00 N ATOM 266 CA GLY A 36 31.373 -2.556 -8.860 1.00 0.00 C ATOM 267 C GLY A 36 30.815 -1.811 -7.675 1.00 0.00 C ATOM 268 O GLY A 36 31.058 -0.615 -7.527 1.00 0.00 O ATOM 0 H GLY A 36 31.986 -4.437 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.428 -2.307 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.866 -2.221 -9.765 1.00 0.00 H new ATOM 272 N CYS A 37 30.061 -2.499 -6.793 1.00 0.00 N ATOM 273 CA CYS A 37 29.475 -1.923 -5.600 1.00 0.00 C ATOM 274 C CYS A 37 30.052 -2.578 -4.358 1.00 0.00 C ATOM 275 O CYS A 37 30.568 -3.694 -4.394 1.00 0.00 O ATOM 276 CB CYS A 37 27.927 -2.041 -5.607 1.00 0.00 C ATOM 277 SG CYS A 37 27.201 -1.110 -6.995 1.00 0.00 S ATOM 0 H CYS A 37 29.848 -3.490 -6.907 1.00 0.00 H new ATOM 0 HA CYS A 37 29.724 -0.862 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.640 -3.090 -5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.527 -1.666 -4.665 1.00 0.00 H new ATOM 282 N PHE A 38 30.008 -1.865 -3.214 1.00 0.00 N ATOM 283 CA PHE A 38 30.611 -2.301 -1.965 1.00 0.00 C ATOM 284 C PHE A 38 29.680 -1.794 -0.882 1.00 0.00 C ATOM 285 O PHE A 38 28.835 -0.948 -1.166 1.00 0.00 O ATOM 286 CB PHE A 38 32.062 -1.735 -1.748 1.00 0.00 C ATOM 287 CG PHE A 38 32.148 -0.253 -1.414 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.543 0.144 -0.119 1.00 0.00 C ATOM 289 CD2 PHE A 38 31.674 0.731 -2.297 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.515 1.492 0.264 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.582 2.066 -1.889 1.00 0.00 C ATOM 292 CZ PHE A 38 32.035 2.457 -0.629 1.00 0.00 C ATOM 0 H PHE A 38 29.543 -0.960 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 38 30.727 -3.385 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.535 -2.298 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.643 -1.920 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.872 -0.603 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 38 31.378 0.455 -3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.862 1.785 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.156 2.801 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.015 3.499 -0.344 1.00 0.00 H new ATOM 302 N CYS A 39 29.786 -2.262 0.381 1.00 0.00 N ATOM 303 CA CYS A 39 29.122 -1.552 1.458 1.00 0.00 C ATOM 304 C CYS A 39 30.125 -1.283 2.551 1.00 0.00 C ATOM 305 O CYS A 39 31.123 -1.988 2.689 1.00 0.00 O ATOM 306 CB CYS A 39 27.871 -2.297 2.021 1.00 0.00 C ATOM 307 SG CYS A 39 28.102 -3.904 2.837 1.00 0.00 S ATOM 0 H CYS A 39 30.306 -3.095 0.658 1.00 0.00 H new ATOM 0 HA CYS A 39 28.740 -0.616 1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.384 -1.632 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.175 -2.443 1.195 1.00 0.00 H new ATOM 312 N GLY A 40 29.884 -0.212 3.338 1.00 0.00 N ATOM 313 CA GLY A 40 30.806 0.260 4.355 1.00 0.00 C ATOM 314 C GLY A 40 30.134 0.260 5.687 1.00 0.00 C ATOM 315 O GLY A 40 29.730 1.307 6.185 1.00 0.00 O ATOM 0 H GLY A 40 29.031 0.344 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.689 -0.379 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.148 1.266 4.110 1.00 0.00 H new ATOM 319 N LEU A 41 29.993 -0.931 6.298 1.00 0.00 N ATOM 320 CA LEU A 41 29.405 -1.074 7.611 1.00 0.00 C ATOM 321 C LEU A 41 30.556 -1.368 8.553 1.00 0.00 C ATOM 322 O LEU A 41 31.316 -2.308 8.327 1.00 0.00 O ATOM 323 CB LEU A 41 28.391 -2.233 7.641 1.00 0.00 C ATOM 324 CG LEU A 41 27.565 -2.365 8.941 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.323 -2.872 10.179 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.821 -1.063 9.274 1.00 0.00 C ATOM 0 H LEU A 41 30.289 -1.813 5.881 1.00 0.00 H new ATOM 0 HA LEU A 41 28.864 -0.171 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.702 -2.111 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 41 28.929 -3.167 7.477 1.00 0.00 H new ATOM 0 HG LEU A 41 26.853 -3.156 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.641 -2.923 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.726 -3.864 9.978 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.140 -2.189 10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.252 -1.194 10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.541 -0.256 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.141 -0.814 8.459 1.00 0.00 H new ATOM 338 N LEU A 42 30.728 -0.569 9.630 1.00 0.00 N ATOM 339 CA LEU A 42 31.854 -0.729 10.527 1.00 0.00 C ATOM 340 C LEU A 42 31.333 -1.173 11.881 1.00 0.00 C ATOM 341 O LEU A 42 30.297 -0.696 12.346 1.00 0.00 O ATOM 342 CB LEU A 42 32.650 0.581 10.756 1.00 0.00 C ATOM 343 CG LEU A 42 33.226 1.260 9.487 1.00 0.00 C ATOM 344 CD1 LEU A 42 33.877 0.288 8.484 1.00 0.00 C ATOM 345 CD2 LEU A 42 32.159 2.140 8.808 1.00 0.00 C ATOM 0 H LEU A 42 30.092 0.187 9.884 1.00 0.00 H new ATOM 0 HA LEU A 42 32.521 -1.457 10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.999 1.294 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 42 33.475 0.367 11.435 1.00 0.00 H new ATOM 0 HG LEU A 42 34.042 1.893 9.834 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.253 0.847 7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.703 -0.234 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 42 33.136 -0.437 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 32.584 2.607 7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 42 31.307 1.523 8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 31.830 2.913 9.502 1.00 0.00 H new ATOM 357 N GLY A 43 32.048 -2.103 12.560 1.00 0.00 N ATOM 358 CA GLY A 43 31.858 -2.367 13.986 1.00 0.00 C ATOM 359 C GLY A 43 30.645 -3.178 14.352 1.00 0.00 C ATOM 360 O GLY A 43 30.322 -3.292 15.529 1.00 0.00 O ATOM 0 H GLY A 43 32.767 -2.683 12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 43 32.742 -2.883 14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 43 31.802 -1.412 14.508 1.00 0.00 H new ATOM 364 N GLN A 44 29.945 -3.740 13.341 1.00 0.00 N ATOM 365 CA GLN A 44 28.697 -4.486 13.450 1.00 0.00 C ATOM 366 C GLN A 44 27.559 -3.696 14.100 1.00 0.00 C ATOM 367 O GLN A 44 26.726 -4.243 14.819 1.00 0.00 O ATOM 368 CB GLN A 44 28.899 -5.838 14.196 1.00 0.00 C ATOM 369 CG GLN A 44 29.883 -6.790 13.477 1.00 0.00 C ATOM 370 CD GLN A 44 30.080 -8.105 14.238 1.00 0.00 C ATOM 371 OE1 GLN A 44 31.185 -8.419 14.684 1.00 0.00 O ATOM 372 NE2 GLN A 44 28.990 -8.905 14.370 1.00 0.00 N ATOM 0 H GLN A 44 30.266 -3.674 12.375 1.00 0.00 H new ATOM 0 HA GLN A 44 28.397 -4.684 12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.267 -5.639 15.203 1.00 0.00 H new ATOM 0 HB3 GLN A 44 27.935 -6.335 14.301 1.00 0.00 H new ATOM 0 HG2 GLN A 44 29.511 -7.005 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 44 30.846 -6.293 13.360 1.00 0.00 H new ATOM 0 HE21 GLN A 44 28.092 -8.610 13.987 1.00 0.00 H new ATOM 0 HE22 GLN A 44 29.070 -9.800 14.852 1.00 0.00 H new ATOM 381 N ASN A 45 27.494 -2.370 13.831 1.00 0.00 N ATOM 382 CA ASN A 45 26.480 -1.474 14.367 1.00 0.00 C ATOM 383 C ASN A 45 25.088 -1.698 13.801 1.00 0.00 C ATOM 384 O ASN A 45 24.088 -1.659 14.517 1.00 0.00 O ATOM 385 CB ASN A 45 26.864 0.013 14.134 1.00 0.00 C ATOM 386 CG ASN A 45 27.968 0.439 15.105 1.00 0.00 C ATOM 387 OD1 ASN A 45 27.687 0.677 16.282 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.234 0.551 14.631 1.00 0.00 N ATOM 0 H ASN A 45 28.164 -1.899 13.223 1.00 0.00 H new ATOM 0 HA ASN A 45 26.447 -1.706 15.431 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.202 0.151 13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.988 0.647 14.269 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.988 0.840 15.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.432 0.346 13.652 1.00 0.00 H new ATOM 395 N LYS A 46 25.022 -1.884 12.471 1.00 0.00 N ATOM 396 CA LYS A 46 23.817 -1.972 11.679 1.00 0.00 C ATOM 397 C LYS A 46 24.091 -2.989 10.593 1.00 0.00 C ATOM 398 O LYS A 46 25.132 -3.638 10.575 1.00 0.00 O ATOM 399 CB LYS A 46 23.385 -0.606 11.052 1.00 0.00 C ATOM 400 CG LYS A 46 23.019 0.488 12.077 1.00 0.00 C ATOM 401 CD LYS A 46 21.745 0.169 12.882 1.00 0.00 C ATOM 402 CE LYS A 46 21.492 1.097 14.073 1.00 0.00 C ATOM 403 NZ LYS A 46 22.557 0.915 15.079 1.00 0.00 N ATOM 0 H LYS A 46 25.864 -1.980 11.903 1.00 0.00 H new ATOM 0 HA LYS A 46 22.986 -2.267 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.195 -0.238 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.528 -0.776 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.852 0.622 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.882 1.435 11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.887 0.218 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.808 -0.857 13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.467 2.134 13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.520 0.881 14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.133 0.853 16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.080 0.040 14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.209 1.724 15.044 1.00 0.00 H new ATOM 417 N LYS A 47 23.127 -3.184 9.681 1.00 0.00 N ATOM 418 CA LYS A 47 23.257 -4.019 8.505 1.00 0.00 C ATOM 419 C LYS A 47 24.235 -3.523 7.439 1.00 0.00 C ATOM 420 O LYS A 47 25.070 -4.288 6.959 1.00 0.00 O ATOM 421 CB LYS A 47 21.847 -4.261 7.892 1.00 0.00 C ATOM 422 CG LYS A 47 21.078 -2.994 7.460 1.00 0.00 C ATOM 423 CD LYS A 47 19.761 -3.277 6.714 1.00 0.00 C ATOM 424 CE LYS A 47 18.740 -4.138 7.454 1.00 0.00 C ATOM 425 NZ LYS A 47 17.551 -4.281 6.591 1.00 0.00 N ATOM 0 H LYS A 47 22.210 -2.745 9.756 1.00 0.00 H new ATOM 0 HA LYS A 47 23.702 -4.951 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.955 -4.912 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.242 -4.800 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.860 -2.396 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.723 -2.392 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.293 -2.323 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.000 -3.765 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.163 -5.116 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.468 -3.676 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.998 -5.107 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.964 -3.426 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.852 -4.411 5.604 1.00 0.00 H new ATOM 439 N GLY A 48 24.195 -2.215 7.082 1.00 0.00 N ATOM 440 CA GLY A 48 24.892 -1.675 5.920 1.00 0.00 C ATOM 441 C GLY A 48 24.023 -1.675 4.683 1.00 0.00 C ATOM 442 O GLY A 48 23.088 -2.458 4.537 1.00 0.00 O ATOM 0 H GLY A 48 23.671 -1.513 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 25.217 -0.657 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.790 -2.263 5.731 1.00 0.00 H new ATOM 446 N HIS A 49 24.328 -0.779 3.724 1.00 0.00 N ATOM 447 CA HIS A 49 23.603 -0.695 2.472 1.00 0.00 C ATOM 448 C HIS A 49 24.658 -0.500 1.406 1.00 0.00 C ATOM 449 O HIS A 49 25.676 0.140 1.668 1.00 0.00 O ATOM 450 CB HIS A 49 22.601 0.487 2.476 1.00 0.00 C ATOM 451 CG HIS A 49 21.706 0.559 1.267 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.686 -0.365 1.119 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.716 1.427 0.220 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.099 -0.037 -0.016 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.680 1.039 -0.602 1.00 0.00 N ATOM 0 H HIS A 49 25.085 -0.101 3.810 1.00 0.00 H new ATOM 0 HA HIS A 49 23.010 -1.593 2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 49 21.979 0.415 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.161 1.419 2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.396 2.251 0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.253 -0.565 -0.431 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.404 1.477 -1.481 1.00 0.00 H new ATOM 463 N CYS A 50 24.486 -1.085 0.198 1.00 0.00 N ATOM 464 CA CYS A 50 25.524 -1.049 -0.824 1.00 0.00 C ATOM 465 C CYS A 50 25.605 0.288 -1.547 1.00 0.00 C ATOM 466 O CYS A 50 24.595 0.933 -1.843 1.00 0.00 O ATOM 467 CB CYS A 50 25.347 -2.158 -1.892 1.00 0.00 C ATOM 468 SG CYS A 50 25.418 -3.841 -1.196 1.00 0.00 S ATOM 0 H CYS A 50 23.639 -1.581 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 50 26.449 -1.214 -0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.390 -2.020 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.124 -2.052 -2.649 1.00 0.00 H new ATOM 473 N TYR A 51 26.845 0.718 -1.863 1.00 0.00 N ATOM 474 CA TYR A 51 27.142 1.987 -2.493 1.00 0.00 C ATOM 475 C TYR A 51 27.939 1.696 -3.754 1.00 0.00 C ATOM 476 O TYR A 51 28.601 0.664 -3.864 1.00 0.00 O ATOM 477 CB TYR A 51 28.061 2.932 -1.678 1.00 0.00 C ATOM 478 CG TYR A 51 27.631 3.236 -0.271 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.665 3.402 0.662 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.298 3.300 0.173 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.392 3.548 2.026 1.00 0.00 C ATOM 482 CE2 TYR A 51 26.018 3.464 1.539 1.00 0.00 C ATOM 483 CZ TYR A 51 27.062 3.564 2.469 1.00 0.00 C ATOM 484 OH TYR A 51 26.758 3.653 3.844 1.00 0.00 O ATOM 0 H TYR A 51 27.680 0.163 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 51 26.176 2.472 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.058 2.492 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.148 3.874 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.690 3.417 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.489 3.223 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 51 29.201 3.648 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.993 3.513 1.875 1.00 0.00 H new ATOM 0 HH TYR A 51 25.785 3.652 3.965 1.00 0.00 H new ATOM 494 N LYS A 52 27.914 2.633 -4.721 1.00 0.00 N ATOM 495 CA LYS A 52 28.733 2.606 -5.915 1.00 0.00 C ATOM 496 C LYS A 52 29.731 3.758 -5.852 1.00 0.00 C ATOM 497 O LYS A 52 29.376 4.879 -5.479 1.00 0.00 O ATOM 498 CB LYS A 52 27.844 2.712 -7.178 1.00 0.00 C ATOM 499 CG LYS A 52 28.598 2.632 -8.517 1.00 0.00 C ATOM 500 CD LYS A 52 27.669 2.635 -9.748 1.00 0.00 C ATOM 501 CE LYS A 52 26.858 3.920 -9.928 1.00 0.00 C ATOM 502 NZ LYS A 52 26.066 3.834 -11.171 1.00 0.00 N ATOM 0 H LYS A 52 27.301 3.447 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 52 29.277 1.663 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.102 1.914 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.299 3.655 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.285 3.475 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.203 1.725 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.271 2.472 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.980 1.794 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.198 4.068 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.525 4.781 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.515 4.708 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.705 3.712 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.419 3.022 -11.115 1.00 0.00 H new ATOM 516 N ILE A 53 31.017 3.497 -6.205 1.00 0.00 N ATOM 517 CA ILE A 53 32.071 4.505 -6.286 1.00 0.00 C ATOM 518 C ILE A 53 32.238 4.926 -7.725 1.00 0.00 C ATOM 519 O ILE A 53 32.443 4.105 -8.618 1.00 0.00 O ATOM 520 CB ILE A 53 33.423 4.048 -5.718 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.293 3.772 -4.207 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.562 5.056 -6.009 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.504 3.099 -3.551 1.00 0.00 C ATOM 0 H ILE A 53 31.341 2.559 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 53 31.753 5.341 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 53 33.698 3.124 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.105 4.717 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.418 3.143 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.495 4.683 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.675 5.176 -7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.319 6.019 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.307 2.951 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.685 2.134 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.382 3.733 -3.672 1.00 0.00 H new ATOM 535 N ILE A 54 32.139 6.248 -7.968 1.00 0.00 N ATOM 536 CA ILE A 54 32.305 6.863 -9.264 1.00 0.00 C ATOM 537 C ILE A 54 33.243 8.050 -9.146 1.00 0.00 C ATOM 538 O ILE A 54 33.421 8.632 -8.075 1.00 0.00 O ATOM 539 CB ILE A 54 30.980 7.262 -9.929 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.114 8.242 -9.089 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.216 5.994 -10.368 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.262 7.618 -7.965 1.00 0.00 C ATOM 0 H ILE A 54 31.934 6.924 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 54 32.743 6.113 -9.923 1.00 0.00 H new ATOM 0 HB ILE A 54 31.224 7.843 -10.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.775 8.985 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.447 8.775 -9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 54 29.276 6.281 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 54 30.822 5.432 -11.079 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.010 5.373 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.705 8.402 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.565 6.898 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.914 7.112 -7.253 1.00 0.00 H new ATOM 554 N GLY A 55 33.891 8.428 -10.272 1.00 0.00 N ATOM 555 CA GLY A 55 34.933 9.443 -10.299 1.00 0.00 C ATOM 556 C GLY A 55 36.276 8.776 -10.382 1.00 0.00 C ATOM 557 O GLY A 55 36.610 8.159 -11.388 1.00 0.00 O ATOM 0 H GLY A 55 33.693 8.025 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.790 10.105 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.877 10.062 -9.404 1.00 0.00 H new ATOM 561 N ASN A 56 37.098 8.881 -9.317 1.00 0.00 N ATOM 562 CA ASN A 56 38.434 8.290 -9.282 1.00 0.00 C ATOM 563 C ASN A 56 38.427 6.728 -9.342 1.00 0.00 C ATOM 564 O ASN A 56 39.095 6.164 -10.247 1.00 0.00 O ATOM 565 CB ASN A 56 39.213 8.736 -8.009 1.00 0.00 C ATOM 566 CG ASN A 56 39.526 10.233 -8.072 1.00 0.00 C ATOM 567 OD1 ASN A 56 39.797 10.782 -9.141 1.00 0.00 O ATOM 568 ND2 ASN A 56 39.491 10.914 -6.897 1.00 0.00 N ATOM 569 OXT ASN A 56 37.789 6.109 -8.448 1.00 0.00 O ATOM 0 H ASN A 56 36.846 9.379 -8.463 1.00 0.00 H new ATOM 0 HA ASN A 56 38.932 8.657 -10.180 1.00 0.00 H new ATOM 0 HB2 ASN A 56 38.623 8.519 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 56 40.139 8.168 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 56 39.693 11.914 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 56 39.263 10.426 -6.031 1.00 0.00 H new TER 576 ASN A 56