USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.36) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0323 X(o=0.032,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -160:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00837 X(o=-0.0084,f=-0.0084) USER MOD Single : A 31 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 1.18 K(o=1.2,f=-0.019) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc=-0.00193 (180deg=-0.489) USER MOD Single : A 49 HIS : no HE2:sc= -0.0394 K(o=-0.039,f=-0.6) 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 ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.354 13.132 -7.138 1.00 0.00 N ATOM 2 CA PHE A 17 34.542 12.121 -6.383 1.00 0.00 C ATOM 3 C PHE A 17 33.039 12.387 -6.301 1.00 0.00 C ATOM 4 O PHE A 17 32.579 13.375 -5.728 1.00 0.00 O ATOM 5 CB PHE A 17 35.185 12.013 -4.965 1.00 0.00 C ATOM 6 CG PHE A 17 34.560 11.013 -4.010 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.557 11.303 -2.633 1.00 0.00 C ATOM 8 CD2 PHE A 17 33.949 9.822 -4.444 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.942 10.442 -1.715 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.299 8.980 -3.534 1.00 0.00 C ATOM 11 CZ PHE A 17 33.303 9.282 -2.168 1.00 0.00 C ATOM 0 HA PHE A 17 34.578 11.183 -6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.237 11.756 -5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.149 12.998 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.036 12.203 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 17 33.982 9.555 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.961 10.673 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 17 32.793 8.094 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 17 32.815 8.623 -1.466 1.00 0.00 H new ATOM 23 N ASP A 18 32.228 11.455 -6.855 1.00 0.00 N ATOM 24 CA ASP A 18 30.819 11.347 -6.545 1.00 0.00 C ATOM 25 C ASP A 18 30.588 9.957 -5.973 1.00 0.00 C ATOM 26 O ASP A 18 31.283 9.002 -6.326 1.00 0.00 O ATOM 27 CB ASP A 18 29.925 11.569 -7.793 1.00 0.00 C ATOM 28 CG ASP A 18 30.061 12.998 -8.304 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.557 13.168 -9.448 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.620 13.923 -7.574 1.00 0.00 O ATOM 0 H ASP A 18 32.553 10.763 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 18 30.545 12.122 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.207 10.868 -8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.884 11.364 -7.542 1.00 0.00 H new ATOM 35 N VAL A 19 29.594 9.816 -5.071 1.00 0.00 N ATOM 36 CA VAL A 19 29.195 8.533 -4.526 1.00 0.00 C ATOM 37 C VAL A 19 27.710 8.394 -4.781 1.00 0.00 C ATOM 38 O VAL A 19 26.945 9.345 -4.613 1.00 0.00 O ATOM 39 CB VAL A 19 29.552 8.379 -3.041 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.875 9.443 -2.150 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.253 6.948 -2.548 1.00 0.00 C ATOM 0 H VAL A 19 29.053 10.601 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 19 29.744 7.730 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 19 30.625 8.550 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.164 9.285 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.190 10.437 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.792 9.359 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.514 6.865 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.192 6.733 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.841 6.234 -3.125 1.00 0.00 H new ATOM 51 N VAL A 20 27.273 7.208 -5.253 1.00 0.00 N ATOM 52 CA VAL A 20 25.875 6.921 -5.530 1.00 0.00 C ATOM 53 C VAL A 20 25.510 5.590 -4.910 1.00 0.00 C ATOM 54 O VAL A 20 26.366 4.743 -4.660 1.00 0.00 O ATOM 55 CB VAL A 20 25.514 6.925 -7.022 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.700 8.341 -7.602 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.398 5.930 -7.798 1.00 0.00 C ATOM 0 H VAL A 20 27.896 6.425 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 20 25.296 7.732 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 20 24.472 6.622 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.442 8.337 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.051 9.039 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.739 8.650 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.126 5.948 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.445 6.211 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.249 4.925 -7.402 1.00 0.00 H new ATOM 67 N SER A 21 24.210 5.380 -4.619 1.00 0.00 N ATOM 68 CA SER A 21 23.681 4.131 -4.103 1.00 0.00 C ATOM 69 C SER A 21 23.464 3.066 -5.169 1.00 0.00 C ATOM 70 O SER A 21 23.124 3.362 -6.312 1.00 0.00 O ATOM 71 CB SER A 21 22.355 4.378 -3.339 1.00 0.00 C ATOM 72 OG SER A 21 21.357 4.966 -4.172 1.00 0.00 O ATOM 0 H SER A 21 23.496 6.097 -4.744 1.00 0.00 H new ATOM 0 HA SER A 21 24.443 3.745 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 21 21.984 3.433 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.545 5.030 -2.486 1.00 0.00 H new ATOM 0 HG SER A 21 20.537 5.103 -3.653 1.00 0.00 H new ATOM 78 N CYS A 22 23.631 1.777 -4.792 1.00 0.00 N ATOM 79 CA CYS A 22 23.548 0.648 -5.710 1.00 0.00 C ATOM 80 C CYS A 22 22.218 -0.091 -5.591 1.00 0.00 C ATOM 81 O CYS A 22 21.937 -1.010 -6.355 1.00 0.00 O ATOM 82 CB CYS A 22 24.755 -0.282 -5.429 1.00 0.00 C ATOM 83 SG CYS A 22 25.142 -1.525 -6.697 1.00 0.00 S ATOM 0 H CYS A 22 23.829 1.503 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 22 23.589 1.006 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.637 0.341 -5.283 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.572 -0.801 -4.488 1.00 0.00 H new ATOM 88 N ASN A 23 21.360 0.326 -4.626 1.00 0.00 N ATOM 89 CA ASN A 23 20.043 -0.226 -4.317 1.00 0.00 C ATOM 90 C ASN A 23 20.072 -1.712 -3.938 1.00 0.00 C ATOM 91 O ASN A 23 19.249 -2.519 -4.365 1.00 0.00 O ATOM 92 CB ASN A 23 19.056 0.057 -5.494 1.00 0.00 C ATOM 93 CG ASN A 23 17.592 -0.112 -5.077 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.180 0.384 -4.025 1.00 0.00 O ATOM 95 ND2 ASN A 23 16.786 -0.810 -5.917 1.00 0.00 N ATOM 0 H ASN A 23 21.597 1.106 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 23 19.684 0.284 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.212 1.071 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.276 -0.618 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.801 -0.940 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.166 -1.204 -6.778 1.00 0.00 H new ATOM 102 N LYS A 24 21.043 -2.085 -3.083 1.00 0.00 N ATOM 103 CA LYS A 24 21.182 -3.397 -2.494 1.00 0.00 C ATOM 104 C LYS A 24 21.698 -3.079 -1.104 1.00 0.00 C ATOM 105 O LYS A 24 22.409 -2.083 -0.960 1.00 0.00 O ATOM 106 CB LYS A 24 22.211 -4.269 -3.265 1.00 0.00 C ATOM 107 CG LYS A 24 22.360 -5.720 -2.766 1.00 0.00 C ATOM 108 CD LYS A 24 21.208 -6.636 -3.216 1.00 0.00 C ATOM 109 CE LYS A 24 21.367 -7.158 -4.646 1.00 0.00 C ATOM 110 NZ LYS A 24 20.215 -8.013 -4.993 1.00 0.00 N ATOM 0 H LYS A 24 21.774 -1.441 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 24 20.253 -3.967 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.925 -4.293 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.185 -3.783 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.303 -6.128 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.412 -5.720 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.140 -7.483 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.268 -6.089 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.436 -6.323 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.294 -7.725 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.325 -8.366 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.169 -8.817 -4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.338 -7.459 -4.924 1.00 0.00 H new ATOM 124 N ASN A 25 21.354 -3.845 -0.040 1.00 0.00 N ATOM 125 CA ASN A 25 22.002 -3.639 1.245 1.00 0.00 C ATOM 126 C ASN A 25 22.715 -4.906 1.688 1.00 0.00 C ATOM 127 O ASN A 25 22.498 -5.989 1.150 1.00 0.00 O ATOM 128 CB ASN A 25 21.014 -3.166 2.361 1.00 0.00 C ATOM 129 CG ASN A 25 19.989 -4.222 2.794 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.995 -4.496 2.120 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.291 -4.854 3.964 1.00 0.00 N ATOM 0 H ASN A 25 20.652 -4.585 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 25 22.727 -2.838 1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.591 -2.859 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.480 -2.284 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.681 -5.591 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.127 -4.590 4.485 1.00 0.00 H new ATOM 138 N CYS A 26 23.559 -4.776 2.731 1.00 0.00 N ATOM 139 CA CYS A 26 24.234 -5.875 3.383 1.00 0.00 C ATOM 140 C CYS A 26 23.736 -5.933 4.810 1.00 0.00 C ATOM 141 O CYS A 26 23.232 -4.949 5.355 1.00 0.00 O ATOM 142 CB CYS A 26 25.775 -5.727 3.490 1.00 0.00 C ATOM 143 SG CYS A 26 26.587 -5.418 1.905 1.00 0.00 S ATOM 0 H CYS A 26 23.785 -3.870 3.142 1.00 0.00 H new ATOM 0 HA CYS A 26 24.022 -6.756 2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.006 -4.909 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.189 -6.635 3.929 1.00 0.00 H new ATOM 148 N THR A 27 23.926 -7.095 5.461 1.00 0.00 N ATOM 149 CA THR A 27 23.769 -7.250 6.900 1.00 0.00 C ATOM 150 C THR A 27 25.198 -7.485 7.356 1.00 0.00 C ATOM 151 O THR A 27 26.047 -7.871 6.547 1.00 0.00 O ATOM 152 CB THR A 27 22.903 -8.433 7.324 1.00 0.00 C ATOM 153 OG1 THR A 27 21.643 -8.384 6.669 1.00 0.00 O ATOM 154 CG2 THR A 27 22.555 -8.397 8.825 1.00 0.00 C ATOM 0 H THR A 27 24.196 -7.957 4.987 1.00 0.00 H new ATOM 0 HA THR A 27 23.263 -6.386 7.331 1.00 0.00 H new ATOM 0 HB THR A 27 23.484 -9.321 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.099 -9.149 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.938 -9.260 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.473 -8.424 9.412 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.008 -7.482 9.050 1.00 0.00 H new ATOM 162 N SER A 28 25.520 -7.259 8.650 1.00 0.00 N ATOM 163 CA SER A 28 26.845 -7.487 9.206 1.00 0.00 C ATOM 164 C SER A 28 27.314 -8.930 9.051 1.00 0.00 C ATOM 165 O SER A 28 26.532 -9.881 9.055 1.00 0.00 O ATOM 166 CB SER A 28 26.883 -7.100 10.707 1.00 0.00 C ATOM 167 OG SER A 28 28.160 -7.314 11.296 1.00 0.00 O ATOM 0 H SER A 28 24.849 -6.909 9.334 1.00 0.00 H new ATOM 0 HA SER A 28 27.525 -6.853 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.609 -6.051 10.815 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.136 -7.682 11.247 1.00 0.00 H new ATOM 0 HG SER A 28 28.066 -7.366 12.270 1.00 0.00 H new ATOM 173 N GLY A 29 28.635 -9.102 8.812 1.00 0.00 N ATOM 174 CA GLY A 29 29.242 -10.377 8.465 1.00 0.00 C ATOM 175 C GLY A 29 29.164 -10.636 6.987 1.00 0.00 C ATOM 176 O GLY A 29 30.182 -10.818 6.323 1.00 0.00 O ATOM 0 H GLY A 29 29.307 -8.336 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.285 -10.384 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.739 -11.180 9.004 1.00 0.00 H new ATOM 180 N GLN A 30 27.927 -10.657 6.451 1.00 0.00 N ATOM 181 CA GLN A 30 27.589 -11.143 5.126 1.00 0.00 C ATOM 182 C GLN A 30 28.205 -10.370 3.967 1.00 0.00 C ATOM 183 O GLN A 30 28.730 -10.986 3.044 1.00 0.00 O ATOM 184 CB GLN A 30 26.046 -11.136 4.943 1.00 0.00 C ATOM 185 CG GLN A 30 25.282 -12.131 5.851 1.00 0.00 C ATOM 186 CD GLN A 30 25.617 -13.593 5.537 1.00 0.00 C ATOM 187 OE1 GLN A 30 26.124 -14.329 6.385 1.00 0.00 O ATOM 188 NE2 GLN A 30 25.312 -14.026 4.285 1.00 0.00 N ATOM 0 H GLN A 30 27.112 -10.318 6.963 1.00 0.00 H new ATOM 0 HA GLN A 30 28.011 -12.147 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.675 -10.130 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.816 -11.365 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.522 -11.923 6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.210 -11.975 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.893 -13.385 3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.502 -14.992 4.019 1.00 0.00 H new ATOM 197 N ASN A 31 28.164 -9.011 3.994 1.00 0.00 N ATOM 198 CA ASN A 31 28.799 -8.133 3.008 1.00 0.00 C ATOM 199 C ASN A 31 28.508 -8.435 1.533 1.00 0.00 C ATOM 200 O ASN A 31 29.392 -8.414 0.679 1.00 0.00 O ATOM 201 CB ASN A 31 30.327 -8.018 3.260 1.00 0.00 C ATOM 202 CG ASN A 31 30.551 -7.255 4.563 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.386 -6.032 4.600 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.894 -7.964 5.665 1.00 0.00 N ATOM 0 H ASN A 31 27.673 -8.496 4.725 1.00 0.00 H new ATOM 0 HA ASN A 31 28.318 -7.170 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.776 -9.009 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.809 -7.500 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.023 -7.488 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 31 31.023 -8.974 5.602 1.00 0.00 H new ATOM 211 N GLU A 32 27.226 -8.701 1.204 1.00 0.00 N ATOM 212 CA GLU A 32 26.782 -9.071 -0.124 1.00 0.00 C ATOM 213 C GLU A 32 26.361 -7.851 -0.938 1.00 0.00 C ATOM 214 O GLU A 32 25.359 -7.209 -0.636 1.00 0.00 O ATOM 215 CB GLU A 32 25.586 -10.045 0.019 1.00 0.00 C ATOM 216 CG GLU A 32 24.967 -10.599 -1.287 1.00 0.00 C ATOM 217 CD GLU A 32 25.899 -11.538 -2.054 1.00 0.00 C ATOM 218 OE1 GLU A 32 26.234 -11.209 -3.220 1.00 0.00 O ATOM 219 OE2 GLU A 32 26.262 -12.599 -1.482 1.00 0.00 O ATOM 0 H GLU A 32 26.466 -8.659 1.883 1.00 0.00 H new ATOM 0 HA GLU A 32 27.608 -9.546 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.910 -10.891 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.800 -9.536 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.046 -11.131 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.694 -9.764 -1.933 1.00 0.00 H new ATOM 226 N CYS A 33 27.092 -7.539 -2.031 1.00 0.00 N ATOM 227 CA CYS A 33 26.716 -6.530 -3.009 1.00 0.00 C ATOM 228 C CYS A 33 26.884 -7.128 -4.391 1.00 0.00 C ATOM 229 O CYS A 33 27.659 -8.076 -4.529 1.00 0.00 O ATOM 230 CB CYS A 33 27.574 -5.236 -2.944 1.00 0.00 C ATOM 231 SG CYS A 33 27.377 -4.297 -1.410 1.00 0.00 S ATOM 0 H CYS A 33 27.976 -7.999 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 33 25.687 -6.245 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.624 -5.503 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.311 -4.596 -3.786 1.00 0.00 H new ATOM 236 N PRO A 34 26.221 -6.640 -5.446 1.00 0.00 N ATOM 237 CA PRO A 34 26.560 -6.988 -6.822 1.00 0.00 C ATOM 238 C PRO A 34 27.900 -6.364 -7.204 1.00 0.00 C ATOM 239 O PRO A 34 28.364 -5.438 -6.537 1.00 0.00 O ATOM 240 CB PRO A 34 25.395 -6.393 -7.634 1.00 0.00 C ATOM 241 CG PRO A 34 24.951 -5.183 -6.812 1.00 0.00 C ATOM 242 CD PRO A 34 25.104 -5.690 -5.383 1.00 0.00 C ATOM 0 HA PRO A 34 26.675 -8.058 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.714 -6.101 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.585 -7.112 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.575 -4.310 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 34 23.923 -4.895 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.316 -4.873 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.192 -6.173 -5.034 1.00 0.00 H new ATOM 250 N GLU A 35 28.570 -6.885 -8.258 1.00 0.00 N ATOM 251 CA GLU A 35 29.931 -6.500 -8.596 1.00 0.00 C ATOM 252 C GLU A 35 30.062 -5.032 -8.989 1.00 0.00 C ATOM 253 O GLU A 35 29.256 -4.490 -9.743 1.00 0.00 O ATOM 254 CB GLU A 35 30.500 -7.374 -9.748 1.00 0.00 C ATOM 255 CG GLU A 35 30.696 -8.873 -9.398 1.00 0.00 C ATOM 256 CD GLU A 35 31.774 -9.107 -8.337 1.00 0.00 C ATOM 257 OE1 GLU A 35 31.450 -9.744 -7.303 1.00 0.00 O ATOM 258 OE2 GLU A 35 32.927 -8.656 -8.563 1.00 0.00 O ATOM 0 H GLU A 35 28.170 -7.581 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 35 30.506 -6.661 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 35 29.830 -7.301 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.460 -6.960 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 29.751 -9.283 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 35 30.961 -9.419 -10.303 1.00 0.00 H new ATOM 265 N GLY A 36 31.109 -4.357 -8.457 1.00 0.00 N ATOM 266 CA GLY A 36 31.338 -2.930 -8.647 1.00 0.00 C ATOM 267 C GLY A 36 30.824 -2.089 -7.507 1.00 0.00 C ATOM 268 O GLY A 36 31.159 -0.910 -7.413 1.00 0.00 O ATOM 0 H GLY A 36 31.819 -4.806 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.407 -2.753 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.856 -2.611 -9.571 1.00 0.00 H new ATOM 272 N CYS A 37 30.009 -2.674 -6.605 1.00 0.00 N ATOM 273 CA CYS A 37 29.424 -1.982 -5.472 1.00 0.00 C ATOM 274 C CYS A 37 29.950 -2.559 -4.166 1.00 0.00 C ATOM 275 O CYS A 37 30.361 -3.716 -4.103 1.00 0.00 O ATOM 276 CB CYS A 37 27.876 -2.070 -5.492 1.00 0.00 C ATOM 277 SG CYS A 37 27.144 -1.287 -6.965 1.00 0.00 S ATOM 0 H CYS A 37 29.744 -3.657 -6.658 1.00 0.00 H new ATOM 0 HA CYS A 37 29.711 -0.933 -5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.576 -3.117 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.478 -1.593 -4.597 1.00 0.00 H new ATOM 282 N PHE A 38 29.967 -1.750 -3.079 1.00 0.00 N ATOM 283 CA PHE A 38 30.477 -2.174 -1.779 1.00 0.00 C ATOM 284 C PHE A 38 29.577 -1.649 -0.670 1.00 0.00 C ATOM 285 O PHE A 38 28.930 -0.617 -0.828 1.00 0.00 O ATOM 286 CB PHE A 38 31.946 -1.683 -1.522 1.00 0.00 C ATOM 287 CG PHE A 38 32.061 -0.179 -1.442 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.060 0.480 -0.196 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.004 0.587 -2.615 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.978 1.875 -0.129 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.876 1.975 -2.551 1.00 0.00 C ATOM 292 CZ PHE A 38 31.866 2.622 -1.307 1.00 0.00 C ATOM 0 H PHE A 38 29.625 -0.789 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 38 30.483 -3.264 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.312 -2.120 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.590 -2.049 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.123 -0.097 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.060 0.098 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.001 2.374 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.785 2.551 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.772 3.697 -1.258 1.00 0.00 H new ATOM 302 N CYS A 39 29.555 -2.327 0.501 1.00 0.00 N ATOM 303 CA CYS A 39 28.937 -1.820 1.716 1.00 0.00 C ATOM 304 C CYS A 39 29.952 -1.130 2.593 1.00 0.00 C ATOM 305 O CYS A 39 31.054 -1.624 2.823 1.00 0.00 O ATOM 306 CB CYS A 39 28.236 -2.924 2.553 1.00 0.00 C ATOM 307 SG CYS A 39 26.656 -3.399 1.801 1.00 0.00 S ATOM 0 H CYS A 39 29.974 -3.250 0.614 1.00 0.00 H new ATOM 0 HA CYS A 39 28.178 -1.113 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.885 -3.797 2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 39 28.067 -2.565 3.568 1.00 0.00 H new ATOM 312 N GLY A 40 29.566 0.042 3.143 1.00 0.00 N ATOM 313 CA GLY A 40 30.305 0.704 4.206 1.00 0.00 C ATOM 314 C GLY A 40 29.734 0.232 5.507 1.00 0.00 C ATOM 315 O GLY A 40 28.775 0.803 6.019 1.00 0.00 O ATOM 0 H GLY A 40 28.728 0.546 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.366 0.464 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.217 1.787 4.118 1.00 0.00 H new ATOM 319 N LEU A 41 30.296 -0.866 6.046 1.00 0.00 N ATOM 320 CA LEU A 41 29.725 -1.587 7.162 1.00 0.00 C ATOM 321 C LEU A 41 30.582 -1.259 8.371 1.00 0.00 C ATOM 322 O LEU A 41 31.808 -1.380 8.352 1.00 0.00 O ATOM 323 CB LEU A 41 29.706 -3.103 6.830 1.00 0.00 C ATOM 324 CG LEU A 41 28.847 -4.019 7.736 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.347 -4.139 9.178 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.360 -3.639 7.691 1.00 0.00 C ATOM 0 H LEU A 41 31.168 -1.269 5.704 1.00 0.00 H new ATOM 0 HA LEU A 41 28.693 -1.302 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 41 29.356 -3.219 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.733 -3.467 6.859 1.00 0.00 H new ATOM 0 HG LEU A 41 28.961 -5.015 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.685 -4.799 9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 41 30.357 -4.550 9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.356 -3.153 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.794 -4.307 8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.237 -2.611 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.992 -3.729 6.669 1.00 0.00 H new ATOM 338 N LEU A 42 29.948 -0.768 9.459 1.00 0.00 N ATOM 339 CA LEU A 42 30.637 0.028 10.450 1.00 0.00 C ATOM 340 C LEU A 42 31.205 -0.879 11.531 1.00 0.00 C ATOM 341 O LEU A 42 30.625 -1.015 12.606 1.00 0.00 O ATOM 342 CB LEU A 42 29.687 1.052 11.133 1.00 0.00 C ATOM 343 CG LEU A 42 28.888 1.989 10.192 1.00 0.00 C ATOM 344 CD1 LEU A 42 29.690 2.535 8.998 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.564 1.331 9.741 1.00 0.00 C ATOM 0 H LEU A 42 28.959 -0.920 9.656 1.00 0.00 H new ATOM 0 HA LEU A 42 31.430 0.570 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 28.977 0.500 11.749 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.280 1.670 11.807 1.00 0.00 H new ATOM 0 HG LEU A 42 28.653 2.868 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.051 3.180 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.542 3.108 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 30.046 1.704 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 27.025 2.012 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.781 0.405 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.951 1.111 10.615 1.00 0.00 H new ATOM 357 N GLY A 43 32.359 -1.539 11.274 1.00 0.00 N ATOM 358 CA GLY A 43 33.080 -2.299 12.295 1.00 0.00 C ATOM 359 C GLY A 43 32.369 -3.532 12.796 1.00 0.00 C ATOM 360 O GLY A 43 32.353 -3.783 13.996 1.00 0.00 O ATOM 0 H GLY A 43 32.805 -1.553 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.047 -2.596 11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.277 -1.643 13.143 1.00 0.00 H new ATOM 364 N GLN A 44 31.751 -4.302 11.870 1.00 0.00 N ATOM 365 CA GLN A 44 30.916 -5.484 12.082 1.00 0.00 C ATOM 366 C GLN A 44 29.824 -5.376 13.147 1.00 0.00 C ATOM 367 O GLN A 44 29.576 -6.300 13.919 1.00 0.00 O ATOM 368 CB GLN A 44 31.748 -6.797 12.269 1.00 0.00 C ATOM 369 CG GLN A 44 32.719 -6.848 13.472 1.00 0.00 C ATOM 370 CD GLN A 44 33.439 -8.195 13.551 1.00 0.00 C ATOM 371 OE1 GLN A 44 34.628 -8.307 13.243 1.00 0.00 O ATOM 372 NE2 GLN A 44 32.698 -9.250 13.981 1.00 0.00 N ATOM 0 H GLN A 44 31.838 -4.086 10.877 1.00 0.00 H new ATOM 0 HA GLN A 44 30.371 -5.540 11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 44 31.051 -7.630 12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 44 32.326 -6.964 11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 44 33.452 -6.046 13.384 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.166 -6.674 14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 44 31.717 -9.118 14.227 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.123 -10.174 14.058 1.00 0.00 H new ATOM 381 N ASN A 45 29.075 -4.247 13.141 1.00 0.00 N ATOM 382 CA ASN A 45 27.935 -4.039 14.020 1.00 0.00 C ATOM 383 C ASN A 45 26.582 -4.406 13.410 1.00 0.00 C ATOM 384 O ASN A 45 25.986 -5.404 13.806 1.00 0.00 O ATOM 385 CB ASN A 45 27.899 -2.564 14.512 1.00 0.00 C ATOM 386 CG ASN A 45 28.977 -2.343 15.579 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.799 -2.782 16.718 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.090 -1.652 15.236 1.00 0.00 N ATOM 0 H ASN A 45 29.259 -3.461 12.518 1.00 0.00 H new ATOM 0 HA ASN A 45 28.086 -4.725 14.854 1.00 0.00 H new ATOM 0 HB2 ASN A 45 28.062 -1.888 13.673 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.916 -2.332 14.922 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.817 -1.479 15.930 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.201 -1.305 14.283 1.00 0.00 H new ATOM 395 N LYS A 46 26.036 -3.610 12.456 1.00 0.00 N ATOM 396 CA LYS A 46 24.616 -3.671 12.123 1.00 0.00 C ATOM 397 C LYS A 46 24.357 -4.133 10.696 1.00 0.00 C ATOM 398 O LYS A 46 24.279 -5.324 10.395 1.00 0.00 O ATOM 399 CB LYS A 46 23.918 -2.294 12.333 1.00 0.00 C ATOM 400 CG LYS A 46 23.965 -1.795 13.784 1.00 0.00 C ATOM 401 CD LYS A 46 23.089 -0.552 14.015 1.00 0.00 C ATOM 402 CE LYS A 46 22.939 -0.174 15.490 1.00 0.00 C ATOM 403 NZ LYS A 46 24.220 0.315 16.033 1.00 0.00 N ATOM 0 H LYS A 46 26.566 -2.927 11.915 1.00 0.00 H new ATOM 0 HA LYS A 46 24.195 -4.410 12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.392 -1.554 11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.877 -2.372 12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.637 -2.594 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.996 -1.562 14.050 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.519 0.291 13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.100 -0.731 13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.175 0.595 15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.603 -1.040 16.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 24.099 0.567 17.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.940 -0.430 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.525 1.154 15.500 1.00 0.00 H new ATOM 417 N LYS A 47 24.162 -3.165 9.781 1.00 0.00 N ATOM 418 CA LYS A 47 23.743 -3.375 8.423 1.00 0.00 C ATOM 419 C LYS A 47 24.278 -2.183 7.668 1.00 0.00 C ATOM 420 O LYS A 47 24.644 -1.182 8.287 1.00 0.00 O ATOM 421 CB LYS A 47 22.197 -3.481 8.325 1.00 0.00 C ATOM 422 CG LYS A 47 21.424 -2.214 8.743 1.00 0.00 C ATOM 423 CD LYS A 47 19.902 -2.400 8.934 1.00 0.00 C ATOM 424 CE LYS A 47 19.102 -2.886 7.719 1.00 0.00 C ATOM 425 NZ LYS A 47 19.167 -4.357 7.600 1.00 0.00 N ATOM 0 H LYS A 47 24.304 -2.179 9.999 1.00 0.00 H new ATOM 0 HA LYS A 47 24.120 -4.311 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.930 -3.727 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.866 -4.312 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.847 -1.842 9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.587 -1.444 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.747 -3.109 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.482 -1.447 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.063 -2.570 7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.495 -2.426 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.294 -4.708 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.983 -4.622 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.270 -4.778 8.546 1.00 0.00 H new ATOM 439 N GLY A 48 24.387 -2.267 6.327 1.00 0.00 N ATOM 440 CA GLY A 48 24.936 -1.170 5.548 1.00 0.00 C ATOM 441 C GLY A 48 24.384 -1.243 4.163 1.00 0.00 C ATOM 442 O GLY A 48 23.963 -2.306 3.722 1.00 0.00 O ATOM 0 H GLY A 48 24.102 -3.078 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.680 -0.215 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 48 26.024 -1.231 5.525 1.00 0.00 H new ATOM 446 N HIS A 49 24.358 -0.113 3.434 1.00 0.00 N ATOM 447 CA HIS A 49 23.761 -0.037 2.113 1.00 0.00 C ATOM 448 C HIS A 49 24.876 -0.081 1.081 1.00 0.00 C ATOM 449 O HIS A 49 25.972 0.414 1.335 1.00 0.00 O ATOM 450 CB HIS A 49 22.913 1.256 1.993 1.00 0.00 C ATOM 451 CG HIS A 49 22.053 1.368 0.761 1.00 0.00 C ATOM 452 ND1 HIS A 49 21.068 0.419 0.543 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.943 2.380 -0.142 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.389 0.871 -0.492 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.868 2.057 -0.943 1.00 0.00 N ATOM 0 H HIS A 49 24.755 0.769 3.757 1.00 0.00 H new ATOM 0 HA HIS A 49 23.091 -0.880 1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.269 1.327 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.586 2.113 2.021 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.904 -0.440 1.068 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.569 3.257 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.547 0.356 -0.931 1.00 0.00 H new ATOM 463 N CYS A 50 24.659 -0.719 -0.098 1.00 0.00 N ATOM 464 CA CYS A 50 25.701 -0.829 -1.109 1.00 0.00 C ATOM 465 C CYS A 50 25.839 0.470 -1.903 1.00 0.00 C ATOM 466 O CYS A 50 24.850 1.048 -2.364 1.00 0.00 O ATOM 467 CB CYS A 50 25.455 -1.989 -2.121 1.00 0.00 C ATOM 468 SG CYS A 50 25.441 -3.664 -1.403 1.00 0.00 S ATOM 0 H CYS A 50 23.774 -1.156 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 50 26.616 -1.041 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.501 -1.818 -2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.227 -1.948 -2.889 1.00 0.00 H new ATOM 473 N TYR A 51 27.090 0.950 -2.095 1.00 0.00 N ATOM 474 CA TYR A 51 27.371 2.222 -2.743 1.00 0.00 C ATOM 475 C TYR A 51 28.295 1.937 -3.916 1.00 0.00 C ATOM 476 O TYR A 51 28.975 0.911 -3.954 1.00 0.00 O ATOM 477 CB TYR A 51 28.153 3.254 -1.883 1.00 0.00 C ATOM 478 CG TYR A 51 27.556 3.429 -0.516 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.315 4.047 -0.288 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.277 2.925 0.578 1.00 0.00 C ATOM 481 CE1 TYR A 51 25.795 4.126 1.016 1.00 0.00 C ATOM 482 CE2 TYR A 51 27.769 3.014 1.877 1.00 0.00 C ATOM 483 CZ TYR A 51 26.516 3.598 2.097 1.00 0.00 C ATOM 484 OH TYR A 51 25.976 3.630 3.403 1.00 0.00 O ATOM 0 H TYR A 51 27.928 0.451 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 51 26.396 2.645 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.189 2.931 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.166 4.215 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.759 4.462 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.239 2.462 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 51 24.837 4.595 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 51 28.342 2.633 2.709 1.00 0.00 H new ATOM 0 HH TYR A 51 26.609 3.221 4.029 1.00 0.00 H new ATOM 494 N LYS A 52 28.354 2.869 -4.889 1.00 0.00 N ATOM 495 CA LYS A 52 29.350 2.886 -5.943 1.00 0.00 C ATOM 496 C LYS A 52 30.148 4.186 -5.831 1.00 0.00 C ATOM 497 O LYS A 52 29.573 5.261 -5.647 1.00 0.00 O ATOM 498 CB LYS A 52 28.680 2.800 -7.335 1.00 0.00 C ATOM 499 CG LYS A 52 29.647 2.721 -8.529 1.00 0.00 C ATOM 500 CD LYS A 52 28.940 2.771 -9.900 1.00 0.00 C ATOM 501 CE LYS A 52 27.899 1.674 -10.126 1.00 0.00 C ATOM 502 NZ LYS A 52 27.361 1.783 -11.498 1.00 0.00 N ATOM 0 H LYS A 52 27.690 3.641 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 52 30.008 2.024 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.033 1.923 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.039 3.672 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.358 3.545 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.222 1.798 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.454 3.741 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 52 29.694 2.704 -10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.350 0.693 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.092 1.767 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.653 1.037 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.916 2.715 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 28.135 1.674 -12.184 1.00 0.00 H new ATOM 516 N ILE A 53 31.499 4.108 -5.941 1.00 0.00 N ATOM 517 CA ILE A 53 32.411 5.250 -5.991 1.00 0.00 C ATOM 518 C ILE A 53 32.824 5.489 -7.426 1.00 0.00 C ATOM 519 O ILE A 53 33.307 4.588 -8.112 1.00 0.00 O ATOM 520 CB ILE A 53 33.652 5.073 -5.102 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.260 5.054 -3.606 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.741 6.138 -5.388 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.345 4.491 -2.680 1.00 0.00 C ATOM 0 H ILE A 53 31.986 3.214 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 53 31.876 6.114 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 53 34.090 4.107 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.021 6.070 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.353 4.461 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.596 5.969 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.059 6.063 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.335 7.132 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.991 4.513 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.569 3.463 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.247 5.096 -2.767 1.00 0.00 H new ATOM 535 N ILE A 54 32.623 6.734 -7.910 1.00 0.00 N ATOM 536 CA ILE A 54 32.965 7.170 -9.248 1.00 0.00 C ATOM 537 C ILE A 54 33.710 8.494 -9.207 1.00 0.00 C ATOM 538 O ILE A 54 33.716 9.214 -8.207 1.00 0.00 O ATOM 539 CB ILE A 54 31.764 7.241 -10.205 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.617 8.165 -9.711 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.296 5.813 -10.560 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.612 7.523 -8.737 1.00 0.00 C ATOM 0 H ILE A 54 32.203 7.475 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 54 33.622 6.402 -9.657 1.00 0.00 H new ATOM 0 HB ILE A 54 32.100 7.726 -11.122 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.060 9.035 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.070 8.530 -10.580 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.445 5.867 -11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.110 5.273 -11.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.002 5.290 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.856 8.257 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.131 6.672 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.137 7.185 -7.843 1.00 0.00 H new ATOM 554 N GLY A 55 34.404 8.836 -10.319 1.00 0.00 N ATOM 555 CA GLY A 55 35.242 10.023 -10.429 1.00 0.00 C ATOM 556 C GLY A 55 36.684 9.712 -10.146 1.00 0.00 C ATOM 557 O GLY A 55 37.546 9.903 -10.997 1.00 0.00 O ATOM 0 H GLY A 55 34.387 8.276 -11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.150 10.442 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.890 10.783 -9.732 1.00 0.00 H new