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 25 ASN : amide:sc= 0.577 K(o=1.1,f=-2.1!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 169:sc= 0.539 (180deg=-0.374) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.35) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 31 ASN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.1) USER MOD Single : A 45 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.0254 K(o=-0.025,f=-0.95) 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= 0.504 K(o=0.5,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.936 11.788 -7.174 1.00 0.00 N ATOM 2 CA PHE A 17 35.091 10.820 -6.392 1.00 0.00 C ATOM 3 C PHE A 17 33.775 11.372 -5.841 1.00 0.00 C ATOM 4 O PHE A 17 33.736 12.255 -4.985 1.00 0.00 O ATOM 5 CB PHE A 17 36.008 10.240 -5.268 1.00 0.00 C ATOM 6 CG PHE A 17 35.361 9.246 -4.323 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.685 9.295 -2.955 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.418 8.296 -4.755 1.00 0.00 C ATOM 9 CE1 PHE A 17 35.073 8.432 -2.037 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.788 7.447 -3.836 1.00 0.00 C ATOM 11 CZ PHE A 17 34.119 7.508 -2.478 1.00 0.00 C ATOM 0 HA PHE A 17 34.739 10.047 -7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.864 9.757 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 17 36.395 11.071 -4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 17 36.417 10.009 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.177 8.220 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 17 35.337 8.480 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.044 6.743 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.640 6.845 -1.773 1.00 0.00 H new ATOM 23 N ASP A 18 32.642 10.809 -6.328 1.00 0.00 N ATOM 24 CA ASP A 18 31.335 10.947 -5.724 1.00 0.00 C ATOM 25 C ASP A 18 30.893 9.556 -5.297 1.00 0.00 C ATOM 26 O ASP A 18 31.332 8.554 -5.862 1.00 0.00 O ATOM 27 CB ASP A 18 30.304 11.556 -6.709 1.00 0.00 C ATOM 28 CG ASP A 18 30.685 12.989 -7.063 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.699 13.837 -6.134 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.933 13.250 -8.269 1.00 0.00 O ATOM 0 H ASP A 18 32.634 10.237 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 18 31.392 11.627 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.257 10.952 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.310 11.538 -6.262 1.00 0.00 H new ATOM 35 N VAL A 19 30.013 9.454 -4.278 1.00 0.00 N ATOM 36 CA VAL A 19 29.501 8.174 -3.826 1.00 0.00 C ATOM 37 C VAL A 19 27.985 8.246 -3.829 1.00 0.00 C ATOM 38 O VAL A 19 27.390 9.240 -3.412 1.00 0.00 O ATOM 39 CB VAL A 19 30.083 7.778 -2.463 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.742 8.792 -1.350 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.665 6.344 -2.087 1.00 0.00 C ATOM 0 H VAL A 19 29.651 10.255 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 19 29.816 7.381 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 19 31.169 7.798 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.180 8.460 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.145 9.770 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.660 8.863 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.089 6.084 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.578 6.283 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.032 5.648 -2.842 1.00 0.00 H new ATOM 51 N VAL A 20 27.321 7.195 -4.363 1.00 0.00 N ATOM 52 CA VAL A 20 25.871 7.095 -4.458 1.00 0.00 C ATOM 53 C VAL A 20 25.458 5.726 -3.963 1.00 0.00 C ATOM 54 O VAL A 20 26.281 4.819 -3.868 1.00 0.00 O ATOM 55 CB VAL A 20 25.308 7.318 -5.867 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.629 8.752 -6.334 1.00 0.00 C ATOM 57 CG2 VAL A 20 25.878 6.275 -6.852 1.00 0.00 C ATOM 0 H VAL A 20 27.802 6.381 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 20 25.458 7.897 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 20 24.225 7.193 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.228 8.907 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.177 9.468 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.709 8.896 -6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.466 6.450 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 20 26.964 6.364 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.607 5.273 -6.518 1.00 0.00 H new ATOM 67 N SER A 21 24.166 5.521 -3.624 1.00 0.00 N ATOM 68 CA SER A 21 23.652 4.215 -3.241 1.00 0.00 C ATOM 69 C SER A 21 23.513 3.238 -4.409 1.00 0.00 C ATOM 70 O SER A 21 23.160 3.621 -5.521 1.00 0.00 O ATOM 71 CB SER A 21 22.284 4.358 -2.523 1.00 0.00 C ATOM 72 OG SER A 21 21.318 4.997 -3.358 1.00 0.00 O ATOM 0 H SER A 21 23.464 6.261 -3.612 1.00 0.00 H new ATOM 0 HA SER A 21 24.395 3.794 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 21 21.920 3.373 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.412 4.934 -1.606 1.00 0.00 H new ATOM 0 HG SER A 21 20.467 5.070 -2.877 1.00 0.00 H new ATOM 78 N CYS A 22 23.758 1.927 -4.162 1.00 0.00 N ATOM 79 CA CYS A 22 23.677 0.876 -5.176 1.00 0.00 C ATOM 80 C CYS A 22 22.316 0.192 -5.157 1.00 0.00 C ATOM 81 O CYS A 22 21.980 -0.582 -6.050 1.00 0.00 O ATOM 82 CB CYS A 22 24.823 -0.149 -4.942 1.00 0.00 C ATOM 83 SG CYS A 22 25.087 -1.409 -6.235 1.00 0.00 S ATOM 0 H CYS A 22 24.019 1.579 -3.240 1.00 0.00 H new ATOM 0 HA CYS A 22 23.794 1.325 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.753 0.406 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.629 -0.665 -4.002 1.00 0.00 H new ATOM 88 N ASN A 23 21.500 0.487 -4.116 1.00 0.00 N ATOM 89 CA ASN A 23 20.200 -0.100 -3.816 1.00 0.00 C ATOM 90 C ASN A 23 20.267 -1.615 -3.596 1.00 0.00 C ATOM 91 O ASN A 23 19.408 -2.376 -4.034 1.00 0.00 O ATOM 92 CB ASN A 23 19.163 0.290 -4.915 1.00 0.00 C ATOM 93 CG ASN A 23 17.722 0.077 -4.441 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.360 0.493 -3.338 1.00 0.00 O ATOM 95 ND2 ASN A 23 16.884 -0.576 -5.286 1.00 0.00 N ATOM 0 H ASN A 23 21.764 1.190 -3.426 1.00 0.00 H new ATOM 0 HA ASN A 23 19.864 0.316 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.303 1.335 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.342 -0.305 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.914 -0.739 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.225 -0.904 -6.190 1.00 0.00 H new ATOM 102 N LYS A 24 21.313 -2.070 -2.868 1.00 0.00 N ATOM 103 CA LYS A 24 21.498 -3.451 -2.468 1.00 0.00 C ATOM 104 C LYS A 24 21.808 -3.563 -0.996 1.00 0.00 C ATOM 105 O LYS A 24 22.476 -2.709 -0.409 1.00 0.00 O ATOM 106 CB LYS A 24 22.606 -4.165 -3.292 1.00 0.00 C ATOM 107 CG LYS A 24 22.167 -4.504 -4.725 1.00 0.00 C ATOM 108 CD LYS A 24 21.238 -5.733 -4.751 1.00 0.00 C ATOM 109 CE LYS A 24 21.995 -7.065 -4.712 1.00 0.00 C ATOM 110 NZ LYS A 24 21.040 -8.191 -4.728 1.00 0.00 N ATOM 0 H LYS A 24 22.061 -1.457 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 24 20.552 -3.953 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.490 -3.528 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.896 -5.083 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.653 -3.648 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 24 23.046 -4.697 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.558 -5.684 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.625 -5.698 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.667 -7.136 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.613 -7.115 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.563 -9.090 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.416 -8.129 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.468 -8.149 -5.596 1.00 0.00 H new ATOM 124 N ASN A 25 21.286 -4.644 -0.369 1.00 0.00 N ATOM 125 CA ASN A 25 21.351 -4.863 1.057 1.00 0.00 C ATOM 126 C ASN A 25 22.568 -5.714 1.405 1.00 0.00 C ATOM 127 O ASN A 25 22.732 -6.842 0.945 1.00 0.00 O ATOM 128 CB ASN A 25 20.052 -5.543 1.579 1.00 0.00 C ATOM 129 CG ASN A 25 20.017 -5.598 3.112 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.744 -4.583 3.759 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.355 -6.781 3.689 1.00 0.00 N ATOM 0 H ASN A 25 20.803 -5.390 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 25 21.445 -3.893 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 19.183 -4.995 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.983 -6.554 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.392 -6.861 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.571 -7.589 3.106 1.00 0.00 H new ATOM 138 N CYS A 26 23.414 -5.161 2.285 1.00 0.00 N ATOM 139 CA CYS A 26 24.605 -5.733 2.868 1.00 0.00 C ATOM 140 C CYS A 26 24.285 -6.095 4.303 1.00 0.00 C ATOM 141 O CYS A 26 23.362 -5.533 4.885 1.00 0.00 O ATOM 142 CB CYS A 26 25.746 -4.692 2.734 1.00 0.00 C ATOM 143 SG CYS A 26 27.302 -5.007 3.627 1.00 0.00 S ATOM 0 H CYS A 26 23.254 -4.214 2.629 1.00 0.00 H new ATOM 0 HA CYS A 26 24.934 -6.643 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.984 -4.592 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.360 -3.729 3.067 1.00 0.00 H new ATOM 148 N THR A 27 24.977 -7.103 4.888 1.00 0.00 N ATOM 149 CA THR A 27 24.861 -7.418 6.308 1.00 0.00 C ATOM 150 C THR A 27 26.295 -7.522 6.799 1.00 0.00 C ATOM 151 O THR A 27 27.213 -7.693 6.003 1.00 0.00 O ATOM 152 CB THR A 27 24.098 -8.714 6.577 1.00 0.00 C ATOM 153 OG1 THR A 27 22.825 -8.671 5.949 1.00 0.00 O ATOM 154 CG2 THR A 27 23.794 -8.933 8.073 1.00 0.00 C ATOM 0 H THR A 27 25.623 -7.709 4.382 1.00 0.00 H new ATOM 0 HA THR A 27 24.287 -6.650 6.827 1.00 0.00 H new ATOM 0 HB THR A 27 24.739 -9.509 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.345 -9.507 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.251 -9.869 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.729 -8.977 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.187 -8.108 8.446 1.00 0.00 H new ATOM 162 N SER A 28 26.557 -7.403 8.121 1.00 0.00 N ATOM 163 CA SER A 28 27.881 -7.595 8.709 1.00 0.00 C ATOM 164 C SER A 28 28.419 -9.009 8.515 1.00 0.00 C ATOM 165 O SER A 28 29.587 -9.193 8.188 1.00 0.00 O ATOM 166 CB SER A 28 27.865 -7.248 10.223 1.00 0.00 C ATOM 167 OG SER A 28 29.152 -7.341 10.835 1.00 0.00 O ATOM 0 H SER A 28 25.840 -7.168 8.807 1.00 0.00 H new ATOM 0 HA SER A 28 28.550 -6.916 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.480 -6.237 10.353 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.177 -7.920 10.736 1.00 0.00 H new ATOM 0 HG SER A 28 29.058 -7.268 11.808 1.00 0.00 H new ATOM 173 N GLY A 29 27.565 -10.045 8.714 1.00 0.00 N ATOM 174 CA GLY A 29 27.908 -11.450 8.503 1.00 0.00 C ATOM 175 C GLY A 29 28.243 -11.821 7.079 1.00 0.00 C ATOM 176 O GLY A 29 29.164 -12.594 6.835 1.00 0.00 O ATOM 0 H GLY A 29 26.605 -9.911 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.759 -11.699 9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.072 -12.066 8.835 1.00 0.00 H new ATOM 180 N GLN A 30 27.477 -11.290 6.102 1.00 0.00 N ATOM 181 CA GLN A 30 27.750 -11.480 4.692 1.00 0.00 C ATOM 182 C GLN A 30 27.676 -10.147 3.962 1.00 0.00 C ATOM 183 O GLN A 30 26.637 -9.486 3.885 1.00 0.00 O ATOM 184 CB GLN A 30 26.782 -12.529 4.063 1.00 0.00 C ATOM 185 CG GLN A 30 25.267 -12.220 4.193 1.00 0.00 C ATOM 186 CD GLN A 30 24.415 -13.281 3.486 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.826 -13.890 2.497 1.00 0.00 O ATOM 188 NE2 GLN A 30 23.168 -13.478 3.991 1.00 0.00 N ATOM 0 H GLN A 30 26.653 -10.718 6.287 1.00 0.00 H new ATOM 0 HA GLN A 30 28.761 -11.874 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 30 27.023 -12.628 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.976 -13.497 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.993 -12.175 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.057 -11.239 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.862 -12.956 4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.539 -14.148 3.549 1.00 0.00 H new ATOM 197 N ASN A 31 28.815 -9.707 3.379 1.00 0.00 N ATOM 198 CA ASN A 31 28.916 -8.405 2.750 1.00 0.00 C ATOM 199 C ASN A 31 28.575 -8.550 1.274 1.00 0.00 C ATOM 200 O ASN A 31 29.457 -8.625 0.421 1.00 0.00 O ATOM 201 CB ASN A 31 30.347 -7.809 2.866 1.00 0.00 C ATOM 202 CG ASN A 31 30.836 -7.630 4.307 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.974 -8.002 4.602 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.002 -7.070 5.218 1.00 0.00 N ATOM 0 H ASN A 31 29.675 -10.254 3.341 1.00 0.00 H new ATOM 0 HA ASN A 31 28.225 -7.733 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 31 31.043 -8.458 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.368 -6.842 2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.310 -6.945 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.067 -6.774 4.939 1.00 0.00 H new ATOM 211 N GLU A 32 27.271 -8.618 0.931 1.00 0.00 N ATOM 212 CA GLU A 32 26.852 -8.950 -0.418 1.00 0.00 C ATOM 213 C GLU A 32 26.533 -7.699 -1.207 1.00 0.00 C ATOM 214 O GLU A 32 25.520 -7.047 -0.970 1.00 0.00 O ATOM 215 CB GLU A 32 25.599 -9.866 -0.408 1.00 0.00 C ATOM 216 CG GLU A 32 25.817 -11.264 0.229 1.00 0.00 C ATOM 217 CD GLU A 32 26.806 -12.136 -0.546 1.00 0.00 C ATOM 218 OE1 GLU A 32 26.516 -12.442 -1.732 1.00 0.00 O ATOM 219 OE2 GLU A 32 27.855 -12.500 0.046 1.00 0.00 O ATOM 0 H GLU A 32 26.503 -8.445 1.579 1.00 0.00 H new ATOM 0 HA GLU A 32 27.681 -9.479 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.800 -9.358 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.256 -10.000 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.177 -11.138 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.859 -11.781 0.291 1.00 0.00 H new ATOM 226 N CYS A 33 27.384 -7.359 -2.199 1.00 0.00 N ATOM 227 CA CYS A 33 27.129 -6.292 -3.145 1.00 0.00 C ATOM 228 C CYS A 33 27.468 -6.836 -4.523 1.00 0.00 C ATOM 229 O CYS A 33 28.305 -7.738 -4.601 1.00 0.00 O ATOM 230 CB CYS A 33 27.994 -5.028 -2.889 1.00 0.00 C ATOM 231 SG CYS A 33 27.730 -4.277 -1.252 1.00 0.00 S ATOM 0 H CYS A 33 28.274 -7.834 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 33 26.087 -5.986 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 33 29.046 -5.292 -2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.775 -4.287 -3.658 1.00 0.00 H new ATOM 236 N PRO A 34 26.889 -6.366 -5.630 1.00 0.00 N ATOM 237 CA PRO A 34 27.356 -6.691 -6.975 1.00 0.00 C ATOM 238 C PRO A 34 28.669 -5.985 -7.283 1.00 0.00 C ATOM 239 O PRO A 34 29.037 -5.030 -6.599 1.00 0.00 O ATOM 240 CB PRO A 34 26.221 -6.183 -7.881 1.00 0.00 C ATOM 241 CG PRO A 34 25.625 -5.009 -7.102 1.00 0.00 C ATOM 242 CD PRO A 34 25.724 -5.479 -5.652 1.00 0.00 C ATOM 0 HA PRO A 34 27.560 -7.753 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.598 -5.867 -8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.478 -6.959 -8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.184 -4.088 -7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.593 -4.812 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.853 -4.638 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.820 -6.004 -5.343 1.00 0.00 H new ATOM 250 N GLU A 35 29.415 -6.448 -8.312 1.00 0.00 N ATOM 251 CA GLU A 35 30.698 -5.871 -8.674 1.00 0.00 C ATOM 252 C GLU A 35 30.565 -4.433 -9.165 1.00 0.00 C ATOM 253 O GLU A 35 29.675 -4.097 -9.944 1.00 0.00 O ATOM 254 CB GLU A 35 31.415 -6.721 -9.758 1.00 0.00 C ATOM 255 CG GLU A 35 31.824 -8.130 -9.258 1.00 0.00 C ATOM 256 CD GLU A 35 32.500 -8.958 -10.353 1.00 0.00 C ATOM 257 OE1 GLU A 35 31.815 -9.263 -11.363 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.698 -9.296 -10.176 1.00 0.00 O ATOM 0 H GLU A 35 29.132 -7.230 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 35 31.298 -5.869 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.758 -6.826 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.305 -6.190 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 35 32.501 -8.030 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 35 30.940 -8.657 -8.900 1.00 0.00 H new ATOM 265 N GLY A 36 31.460 -3.540 -8.679 1.00 0.00 N ATOM 266 CA GLY A 36 31.372 -2.100 -8.901 1.00 0.00 C ATOM 267 C GLY A 36 30.740 -1.378 -7.739 1.00 0.00 C ATOM 268 O GLY A 36 30.846 -0.158 -7.630 1.00 0.00 O ATOM 0 H GLY A 36 32.266 -3.815 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.371 -1.700 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.791 -1.909 -9.803 1.00 0.00 H new ATOM 272 N CYS A 37 30.087 -2.122 -6.822 1.00 0.00 N ATOM 273 CA CYS A 37 29.509 -1.592 -5.605 1.00 0.00 C ATOM 274 C CYS A 37 30.248 -2.144 -4.399 1.00 0.00 C ATOM 275 O CYS A 37 30.876 -3.199 -4.462 1.00 0.00 O ATOM 276 CB CYS A 37 27.993 -1.911 -5.489 1.00 0.00 C ATOM 277 SG CYS A 37 27.017 -1.123 -6.809 1.00 0.00 S ATOM 0 H CYS A 37 29.953 -3.128 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 37 29.613 -0.507 -5.638 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.847 -2.991 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.626 -1.575 -4.519 1.00 0.00 H new ATOM 282 N PHE A 38 30.215 -1.414 -3.261 1.00 0.00 N ATOM 283 CA PHE A 38 30.947 -1.799 -2.066 1.00 0.00 C ATOM 284 C PHE A 38 30.073 -1.529 -0.857 1.00 0.00 C ATOM 285 O PHE A 38 29.111 -0.765 -0.926 1.00 0.00 O ATOM 286 CB PHE A 38 32.315 -1.042 -1.914 1.00 0.00 C ATOM 287 CG PHE A 38 32.224 0.421 -1.514 1.00 0.00 C ATOM 288 CD1 PHE A 38 31.718 1.392 -2.389 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.728 0.840 -0.265 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.676 2.740 -2.010 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.733 2.196 0.093 1.00 0.00 C ATOM 292 CZ PHE A 38 32.217 3.150 -0.792 1.00 0.00 C ATOM 0 H PHE A 38 29.681 -0.551 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 38 31.187 -2.859 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.917 -1.565 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.851 -1.107 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 38 31.357 1.098 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 38 33.116 0.106 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.221 3.467 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 38 33.133 2.503 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.238 4.198 -0.533 1.00 0.00 H new ATOM 302 N CYS A 39 30.394 -2.163 0.286 1.00 0.00 N ATOM 303 CA CYS A 39 29.747 -1.923 1.557 1.00 0.00 C ATOM 304 C CYS A 39 30.810 -1.500 2.544 1.00 0.00 C ATOM 305 O CYS A 39 31.792 -2.208 2.757 1.00 0.00 O ATOM 306 CB CYS A 39 29.013 -3.207 2.023 1.00 0.00 C ATOM 307 SG CYS A 39 28.173 -3.172 3.630 1.00 0.00 S ATOM 0 H CYS A 39 31.129 -2.869 0.336 1.00 0.00 H new ATOM 0 HA CYS A 39 28.999 -1.135 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.273 -3.462 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.740 -4.018 2.044 1.00 0.00 H new ATOM 312 N GLY A 40 30.629 -0.317 3.174 1.00 0.00 N ATOM 313 CA GLY A 40 31.460 0.129 4.279 1.00 0.00 C ATOM 314 C GLY A 40 30.691 -0.123 5.537 1.00 0.00 C ATOM 315 O GLY A 40 29.718 0.570 5.823 1.00 0.00 O ATOM 0 H GLY A 40 29.897 0.345 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 40 32.407 -0.411 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.698 1.188 4.179 1.00 0.00 H new ATOM 319 N LEU A 41 31.090 -1.146 6.317 1.00 0.00 N ATOM 320 CA LEU A 41 30.274 -1.619 7.413 1.00 0.00 C ATOM 321 C LEU A 41 30.849 -1.046 8.695 1.00 0.00 C ATOM 322 O LEU A 41 32.004 -1.271 9.058 1.00 0.00 O ATOM 323 CB LEU A 41 30.266 -3.169 7.418 1.00 0.00 C ATOM 324 CG LEU A 41 29.266 -3.881 8.365 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.543 -3.755 9.870 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.806 -3.539 8.041 1.00 0.00 C ATOM 0 H LEU A 41 31.970 -1.648 6.197 1.00 0.00 H new ATOM 0 HA LEU A 41 29.239 -1.293 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 41 30.064 -3.507 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 41 31.270 -3.509 7.673 1.00 0.00 H new ATOM 0 HG LEU A 41 29.440 -4.935 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.777 -4.294 10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 41 30.522 -4.178 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.528 -2.703 10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.147 -4.063 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.654 -2.464 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 27.578 -3.846 7.020 1.00 0.00 H new ATOM 338 N LEU A 42 30.030 -0.264 9.422 1.00 0.00 N ATOM 339 CA LEU A 42 30.427 0.462 10.600 1.00 0.00 C ATOM 340 C LEU A 42 30.302 -0.360 11.882 1.00 0.00 C ATOM 341 O LEU A 42 29.293 -0.343 12.586 1.00 0.00 O ATOM 342 CB LEU A 42 29.660 1.825 10.716 1.00 0.00 C ATOM 343 CG LEU A 42 28.209 1.976 10.151 1.00 0.00 C ATOM 344 CD1 LEU A 42 28.146 2.161 8.620 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.209 0.895 10.598 1.00 0.00 C ATOM 0 H LEU A 42 29.048 -0.129 9.182 1.00 0.00 H new ATOM 0 HA LEU A 42 31.489 0.679 10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 42 29.620 2.081 11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.275 2.581 10.228 1.00 0.00 H new ATOM 0 HG LEU A 42 27.884 2.906 10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 42 27.106 2.258 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.695 3.060 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.592 1.296 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.235 1.093 10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.564 -0.084 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.119 0.909 11.684 1.00 0.00 H new ATOM 357 N GLY A 43 31.391 -1.089 12.237 1.00 0.00 N ATOM 358 CA GLY A 43 31.648 -1.598 13.585 1.00 0.00 C ATOM 359 C GLY A 43 30.678 -2.610 14.136 1.00 0.00 C ATOM 360 O GLY A 43 30.427 -2.611 15.337 1.00 0.00 O ATOM 0 H GLY A 43 32.123 -1.338 11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 32.643 -2.044 13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 43 31.674 -0.749 14.267 1.00 0.00 H new ATOM 364 N GLN A 44 30.096 -3.462 13.259 1.00 0.00 N ATOM 365 CA GLN A 44 29.050 -4.454 13.510 1.00 0.00 C ATOM 366 C GLN A 44 27.859 -3.951 14.327 1.00 0.00 C ATOM 367 O GLN A 44 27.248 -4.676 15.109 1.00 0.00 O ATOM 368 CB GLN A 44 29.595 -5.809 14.080 1.00 0.00 C ATOM 369 CG GLN A 44 30.306 -5.805 15.459 1.00 0.00 C ATOM 370 CD GLN A 44 31.814 -5.529 15.371 1.00 0.00 C ATOM 371 OE1 GLN A 44 32.493 -5.871 14.400 1.00 0.00 O ATOM 372 NE2 GLN A 44 32.370 -4.912 16.448 1.00 0.00 N ATOM 0 H GLN A 44 30.377 -3.465 12.279 1.00 0.00 H new ATOM 0 HA GLN A 44 28.660 -4.650 12.511 1.00 0.00 H new ATOM 0 HB2 GLN A 44 28.756 -6.502 14.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.293 -6.218 13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 44 29.843 -5.050 16.095 1.00 0.00 H new ATOM 0 HG3 GLN A 44 30.149 -6.769 15.942 1.00 0.00 H new ATOM 0 HE21 GLN A 44 31.785 -4.640 17.238 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.372 -4.722 16.466 1.00 0.00 H new ATOM 381 N ASN A 45 27.473 -2.674 14.100 1.00 0.00 N ATOM 382 CA ASN A 45 26.303 -2.042 14.693 1.00 0.00 C ATOM 383 C ASN A 45 25.024 -2.456 14.017 1.00 0.00 C ATOM 384 O ASN A 45 24.009 -2.740 14.650 1.00 0.00 O ATOM 385 CB ASN A 45 26.379 -0.497 14.597 1.00 0.00 C ATOM 386 CG ASN A 45 27.359 0.059 15.629 1.00 0.00 C ATOM 387 OD1 ASN A 45 27.036 0.138 16.816 1.00 0.00 O ATOM 388 ND2 ASN A 45 28.577 0.460 15.183 1.00 0.00 N ATOM 0 H ASN A 45 27.990 -2.050 13.481 1.00 0.00 H new ATOM 0 HA ASN A 45 26.300 -2.368 15.733 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.693 -0.205 13.595 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.390 -0.068 14.759 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.260 0.842 15.838 1.00 0.00 H new ATOM 0 HD22 ASN A 45 28.809 0.380 14.193 1.00 0.00 H new ATOM 395 N LYS A 46 25.062 -2.463 12.680 1.00 0.00 N ATOM 396 CA LYS A 46 23.929 -2.723 11.856 1.00 0.00 C ATOM 397 C LYS A 46 24.472 -3.227 10.554 1.00 0.00 C ATOM 398 O LYS A 46 25.679 -3.301 10.340 1.00 0.00 O ATOM 399 CB LYS A 46 22.994 -1.503 11.612 1.00 0.00 C ATOM 400 CG LYS A 46 23.615 -0.293 10.893 1.00 0.00 C ATOM 401 CD LYS A 46 22.531 0.653 10.348 1.00 0.00 C ATOM 402 CE LYS A 46 23.052 2.024 9.917 1.00 0.00 C ATOM 403 NZ LYS A 46 23.133 2.906 11.093 1.00 0.00 N ATOM 0 H LYS A 46 25.914 -2.281 12.150 1.00 0.00 H new ATOM 0 HA LYS A 46 23.292 -3.444 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.137 -1.842 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.613 -1.168 12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.261 0.250 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.244 -0.639 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.045 0.178 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.768 0.792 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.034 1.924 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.390 2.458 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.487 3.840 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.188 3.010 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.781 2.492 11.793 1.00 0.00 H new ATOM 417 N LYS A 47 23.535 -3.631 9.696 1.00 0.00 N ATOM 418 CA LYS A 47 23.675 -4.275 8.416 1.00 0.00 C ATOM 419 C LYS A 47 24.411 -3.462 7.353 1.00 0.00 C ATOM 420 O LYS A 47 25.178 -4.020 6.575 1.00 0.00 O ATOM 421 CB LYS A 47 22.253 -4.693 7.951 1.00 0.00 C ATOM 422 CG LYS A 47 21.287 -3.524 7.686 1.00 0.00 C ATOM 423 CD LYS A 47 19.877 -3.980 7.279 1.00 0.00 C ATOM 424 CE LYS A 47 18.972 -2.835 6.814 1.00 0.00 C ATOM 425 NZ LYS A 47 19.524 -2.238 5.583 1.00 0.00 N ATOM 0 H LYS A 47 22.550 -3.492 9.921 1.00 0.00 H new ATOM 0 HA LYS A 47 24.323 -5.142 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.344 -5.284 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.815 -5.342 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.217 -2.909 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.699 -2.893 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.959 -4.715 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.408 -4.482 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.964 -3.206 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.895 -2.078 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.823 -1.593 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.389 -1.708 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.749 -2.992 4.903 1.00 0.00 H new ATOM 439 N GLY A 48 24.235 -2.119 7.305 1.00 0.00 N ATOM 440 CA GLY A 48 24.829 -1.279 6.270 1.00 0.00 C ATOM 441 C GLY A 48 23.998 -1.256 5.009 1.00 0.00 C ATOM 442 O GLY A 48 22.840 -1.668 4.995 1.00 0.00 O ATOM 0 H GLY A 48 23.678 -1.602 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.941 -0.263 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.829 -1.644 6.038 1.00 0.00 H new ATOM 446 N HIS A 49 24.564 -0.731 3.901 1.00 0.00 N ATOM 447 CA HIS A 49 23.872 -0.710 2.629 1.00 0.00 C ATOM 448 C HIS A 49 24.961 -0.614 1.575 1.00 0.00 C ATOM 449 O HIS A 49 26.036 -0.093 1.871 1.00 0.00 O ATOM 450 CB HIS A 49 22.897 0.494 2.530 1.00 0.00 C ATOM 451 CG HIS A 49 21.929 0.429 1.381 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.947 -0.549 1.401 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.764 1.245 0.306 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.210 -0.304 0.337 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.656 0.770 -0.359 1.00 0.00 N ATOM 0 H HIS A 49 25.498 -0.321 3.879 1.00 0.00 H new ATOM 0 HA HIS A 49 23.259 -1.602 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.332 0.563 3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.481 1.410 2.443 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.823 -1.293 2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.376 2.091 0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.350 -0.891 0.052 1.00 0.00 H new ATOM 463 N CYS A 50 24.753 -1.138 0.342 1.00 0.00 N ATOM 464 CA CYS A 50 25.772 -1.069 -0.703 1.00 0.00 C ATOM 465 C CYS A 50 25.792 0.279 -1.419 1.00 0.00 C ATOM 466 O CYS A 50 24.750 0.870 -1.720 1.00 0.00 O ATOM 467 CB CYS A 50 25.590 -2.160 -1.788 1.00 0.00 C ATOM 468 SG CYS A 50 25.746 -3.851 -1.150 1.00 0.00 S ATOM 0 H CYS A 50 23.892 -1.607 0.060 1.00 0.00 H new ATOM 0 HA CYS A 50 26.711 -1.223 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.609 -2.043 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.330 -2.007 -2.573 1.00 0.00 H new ATOM 473 N TYR A 51 27.004 0.787 -1.741 1.00 0.00 N ATOM 474 CA TYR A 51 27.190 2.083 -2.375 1.00 0.00 C ATOM 475 C TYR A 51 27.924 1.821 -3.685 1.00 0.00 C ATOM 476 O TYR A 51 28.620 0.817 -3.810 1.00 0.00 O ATOM 477 CB TYR A 51 28.129 3.064 -1.631 1.00 0.00 C ATOM 478 CG TYR A 51 27.838 3.319 -0.179 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.601 3.122 0.462 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.941 3.715 0.590 1.00 0.00 C ATOM 481 CE1 TYR A 51 26.508 3.229 1.860 1.00 0.00 C ATOM 482 CE2 TYR A 51 28.848 3.848 1.976 1.00 0.00 C ATOM 483 CZ TYR A 51 27.630 3.597 2.616 1.00 0.00 C ATOM 484 OH TYR A 51 27.546 3.702 4.019 1.00 0.00 O ATOM 0 H TYR A 51 27.878 0.293 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 51 26.196 2.527 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.147 2.684 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.104 4.020 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.722 2.888 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.881 3.921 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 51 25.569 3.027 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 51 29.713 4.143 2.552 1.00 0.00 H new ATOM 0 HH TYR A 51 28.418 3.966 4.380 1.00 0.00 H new ATOM 494 N LYS A 52 27.822 2.731 -4.675 1.00 0.00 N ATOM 495 CA LYS A 52 28.578 2.676 -5.916 1.00 0.00 C ATOM 496 C LYS A 52 29.607 3.803 -5.948 1.00 0.00 C ATOM 497 O LYS A 52 29.318 4.936 -5.556 1.00 0.00 O ATOM 498 CB LYS A 52 27.635 2.764 -7.144 1.00 0.00 C ATOM 499 CG LYS A 52 28.333 2.647 -8.513 1.00 0.00 C ATOM 500 CD LYS A 52 27.360 2.632 -9.708 1.00 0.00 C ATOM 501 CE LYS A 52 26.625 3.953 -9.942 1.00 0.00 C ATOM 502 NZ LYS A 52 25.778 3.838 -11.148 1.00 0.00 N ATOM 0 H LYS A 52 27.197 3.535 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 52 29.099 1.720 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 52 26.887 1.975 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.101 3.714 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.025 3.481 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 52 28.929 1.734 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.916 2.375 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.624 1.844 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.011 4.199 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.343 4.764 -10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.278 4.736 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.375 3.623 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.085 3.075 -11.014 1.00 0.00 H new ATOM 516 N ILE A 53 30.852 3.501 -6.406 1.00 0.00 N ATOM 517 CA ILE A 53 31.933 4.471 -6.569 1.00 0.00 C ATOM 518 C ILE A 53 31.994 4.935 -8.004 1.00 0.00 C ATOM 519 O ILE A 53 32.137 4.141 -8.933 1.00 0.00 O ATOM 520 CB ILE A 53 33.311 3.940 -6.141 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.304 3.642 -4.630 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.474 4.886 -6.528 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.526 2.902 -4.075 1.00 0.00 C ATOM 0 H ILE A 53 31.122 2.554 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 53 31.699 5.303 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 53 33.492 3.016 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.206 4.587 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.416 3.053 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.419 4.454 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.492 5.016 -7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.330 5.854 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.404 2.751 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.621 1.935 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.423 3.493 -4.258 1.00 0.00 H new ATOM 535 N ILE A 54 31.894 6.267 -8.201 1.00 0.00 N ATOM 536 CA ILE A 54 32.068 6.919 -9.478 1.00 0.00 C ATOM 537 C ILE A 54 33.048 8.066 -9.312 1.00 0.00 C ATOM 538 O ILE A 54 33.029 8.801 -8.324 1.00 0.00 O ATOM 539 CB ILE A 54 30.752 7.386 -10.122 1.00 0.00 C ATOM 540 CG1 ILE A 54 29.913 8.378 -9.263 1.00 0.00 C ATOM 541 CG2 ILE A 54 29.944 6.150 -10.578 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.090 7.767 -8.112 1.00 0.00 C ATOM 0 H ILE A 54 31.684 6.919 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 54 32.469 6.182 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 54 31.017 7.987 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.590 9.121 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.230 8.909 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 54 29.010 6.475 -11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 54 30.526 5.583 -11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 54 29.726 5.520 -9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.551 8.558 -7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.377 7.048 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.759 7.262 -7.415 1.00 0.00 H new ATOM 554 N GLY A 55 33.971 8.238 -10.282 1.00 0.00 N ATOM 555 CA GLY A 55 35.010 9.245 -10.189 1.00 0.00 C ATOM 556 C GLY A 55 36.226 8.752 -10.905 1.00 0.00 C ATOM 557 O GLY A 55 36.148 7.860 -11.746 1.00 0.00 O ATOM 0 H GLY A 55 34.004 7.682 -11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.668 10.182 -10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.244 9.450 -9.144 1.00 0.00 H new ATOM 561 N ASN A 56 37.399 9.327 -10.579 1.00 0.00 N ATOM 562 CA ASN A 56 38.677 8.934 -11.149 1.00 0.00 C ATOM 563 C ASN A 56 39.351 7.702 -10.462 1.00 0.00 C ATOM 564 O ASN A 56 38.836 7.211 -9.424 1.00 0.00 O ATOM 565 CB ASN A 56 39.642 10.164 -11.172 1.00 0.00 C ATOM 566 CG ASN A 56 39.910 10.717 -9.766 1.00 0.00 C ATOM 567 OD1 ASN A 56 38.973 11.069 -9.045 1.00 0.00 O ATOM 568 ND2 ASN A 56 41.205 10.789 -9.365 1.00 0.00 N ATOM 569 OXT ASN A 56 40.413 7.273 -10.989 1.00 0.00 O ATOM 0 H ASN A 56 37.474 10.086 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 56 38.467 8.599 -12.165 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.586 9.874 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.212 10.949 -11.794 1.00 0.00 H new ATOM 0 HD21 ASN A 56 41.432 11.145 -8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 56 41.951 10.487 -9.992 1.00 0.00 H new TER 576 ASN A 56