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 Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.234 X(o=0.23,f=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.455) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 ASN : amide:sc=-0.000414 X(o=-0.00041,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=-0.013) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc=-0.00339 (180deg=-0.127) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.15) 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 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.143 12.883 -7.265 1.00 0.00 N ATOM 2 CA PHE A 17 34.262 12.053 -6.376 1.00 0.00 C ATOM 3 C PHE A 17 32.759 12.303 -6.463 1.00 0.00 C ATOM 4 O PHE A 17 32.237 13.348 -6.079 1.00 0.00 O ATOM 5 CB PHE A 17 34.805 12.226 -4.921 1.00 0.00 C ATOM 6 CG PHE A 17 34.026 11.530 -3.833 1.00 0.00 C ATOM 7 CD1 PHE A 17 33.649 12.223 -2.667 1.00 0.00 C ATOM 8 CD2 PHE A 17 33.652 10.188 -3.973 1.00 0.00 C ATOM 9 CE1 PHE A 17 32.920 11.580 -1.656 1.00 0.00 C ATOM 10 CE2 PHE A 17 32.916 9.550 -2.971 1.00 0.00 C ATOM 11 CZ PHE A 17 32.552 10.237 -1.809 1.00 0.00 C ATOM 0 HA PHE A 17 34.325 11.023 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 17 35.832 11.863 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 17 34.837 13.291 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 17 33.924 13.261 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 17 33.934 9.642 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 17 32.643 12.119 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 17 32.626 8.517 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 17 31.991 9.736 -1.034 1.00 0.00 H new ATOM 23 N ASP A 18 32.020 11.277 -6.945 1.00 0.00 N ATOM 24 CA ASP A 18 30.601 11.132 -6.719 1.00 0.00 C ATOM 25 C ASP A 18 30.386 9.761 -6.097 1.00 0.00 C ATOM 26 O ASP A 18 31.119 8.813 -6.386 1.00 0.00 O ATOM 27 CB ASP A 18 29.784 11.261 -8.031 1.00 0.00 C ATOM 28 CG ASP A 18 29.857 12.682 -8.575 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.410 12.857 -9.692 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.305 13.592 -7.903 1.00 0.00 O ATOM 0 H ASP A 18 32.419 10.526 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 18 30.252 11.928 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.168 10.562 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.744 10.990 -7.846 1.00 0.00 H new ATOM 35 N VAL A 19 29.360 9.632 -5.231 1.00 0.00 N ATOM 36 CA VAL A 19 28.941 8.361 -4.673 1.00 0.00 C ATOM 37 C VAL A 19 27.473 8.200 -5.004 1.00 0.00 C ATOM 38 O VAL A 19 26.685 9.138 -4.876 1.00 0.00 O ATOM 39 CB VAL A 19 29.225 8.246 -3.166 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.513 9.342 -2.342 1.00 0.00 C ATOM 41 CG2 VAL A 19 28.871 6.834 -2.651 1.00 0.00 C ATOM 0 H VAL A 19 28.804 10.423 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 19 29.520 7.549 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 19 30.294 8.405 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.748 9.213 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.852 10.324 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.435 9.263 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.079 6.774 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.813 6.637 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.470 6.093 -3.180 1.00 0.00 H new ATOM 51 N VAL A 20 27.077 7.003 -5.487 1.00 0.00 N ATOM 52 CA VAL A 20 25.689 6.668 -5.762 1.00 0.00 C ATOM 53 C VAL A 20 25.395 5.332 -5.133 1.00 0.00 C ATOM 54 O VAL A 20 26.289 4.517 -4.919 1.00 0.00 O ATOM 55 CB VAL A 20 25.309 6.633 -7.248 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.454 8.050 -7.837 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.179 5.620 -8.024 1.00 0.00 C ATOM 0 H VAL A 20 27.727 6.245 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 20 25.086 7.469 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 20 24.274 6.306 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.186 8.034 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.793 8.735 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.486 8.385 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.886 5.618 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.228 5.903 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.037 4.623 -7.606 1.00 0.00 H new ATOM 67 N SER A 21 24.119 5.072 -4.793 1.00 0.00 N ATOM 68 CA SER A 21 23.678 3.816 -4.225 1.00 0.00 C ATOM 69 C SER A 21 23.499 2.710 -5.254 1.00 0.00 C ATOM 70 O SER A 21 23.237 2.953 -6.429 1.00 0.00 O ATOM 71 CB SER A 21 22.387 4.041 -3.401 1.00 0.00 C ATOM 72 OG SER A 21 21.335 4.558 -4.211 1.00 0.00 O ATOM 0 H SER A 21 23.366 5.749 -4.913 1.00 0.00 H new ATOM 0 HA SER A 21 24.472 3.465 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.072 3.099 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.592 4.732 -2.583 1.00 0.00 H new ATOM 0 HG SER A 21 20.533 4.688 -3.662 1.00 0.00 H new ATOM 78 N CYS A 22 23.672 1.440 -4.816 1.00 0.00 N ATOM 79 CA CYS A 22 23.695 0.286 -5.702 1.00 0.00 C ATOM 80 C CYS A 22 22.640 -0.726 -5.265 1.00 0.00 C ATOM 81 O CYS A 22 22.807 -1.935 -5.404 1.00 0.00 O ATOM 82 CB CYS A 22 25.135 -0.299 -5.673 1.00 0.00 C ATOM 83 SG CYS A 22 25.545 -1.548 -6.930 1.00 0.00 S ATOM 0 H CYS A 22 23.799 1.203 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 22 23.449 0.563 -6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.838 0.527 -5.775 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.302 -0.740 -4.690 1.00 0.00 H new ATOM 88 N ASN A 23 21.507 -0.212 -4.724 1.00 0.00 N ATOM 89 CA ASN A 23 20.251 -0.889 -4.402 1.00 0.00 C ATOM 90 C ASN A 23 20.319 -2.247 -3.692 1.00 0.00 C ATOM 91 O ASN A 23 19.517 -3.141 -3.965 1.00 0.00 O ATOM 92 CB ASN A 23 19.308 -0.958 -5.653 1.00 0.00 C ATOM 93 CG ASN A 23 19.877 -1.709 -6.866 1.00 0.00 C ATOM 94 OD1 ASN A 23 20.373 -1.099 -7.816 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.781 -3.062 -6.837 1.00 0.00 N ATOM 0 H ASN A 23 21.458 0.778 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 23 19.832 -0.242 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.374 -1.435 -5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.063 0.059 -5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.127 -3.615 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.363 -3.526 -6.031 1.00 0.00 H new ATOM 102 N LYS A 24 21.265 -2.436 -2.750 1.00 0.00 N ATOM 103 CA LYS A 24 21.461 -3.716 -2.101 1.00 0.00 C ATOM 104 C LYS A 24 21.953 -3.439 -0.690 1.00 0.00 C ATOM 105 O LYS A 24 22.673 -2.467 -0.470 1.00 0.00 O ATOM 106 CB LYS A 24 22.466 -4.577 -2.913 1.00 0.00 C ATOM 107 CG LYS A 24 22.686 -6.015 -2.409 1.00 0.00 C ATOM 108 CD LYS A 24 21.470 -6.948 -2.572 1.00 0.00 C ATOM 109 CE LYS A 24 21.420 -7.730 -3.892 1.00 0.00 C ATOM 110 NZ LYS A 24 20.965 -6.870 -5.003 1.00 0.00 N ATOM 0 H LYS A 24 21.900 -1.704 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 24 20.532 -4.284 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.121 -4.624 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.428 -4.065 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.532 -6.447 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.960 -5.978 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.464 -7.659 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.561 -6.353 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.408 -8.130 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.748 -8.582 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.665 -7.465 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.164 -6.287 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.745 -6.252 -5.305 1.00 0.00 H new ATOM 124 N ASN A 25 21.528 -4.241 0.313 1.00 0.00 N ATOM 125 CA ASN A 25 21.839 -4.030 1.718 1.00 0.00 C ATOM 126 C ASN A 25 22.693 -5.175 2.256 1.00 0.00 C ATOM 127 O ASN A 25 22.398 -6.345 2.016 1.00 0.00 O ATOM 128 CB ASN A 25 20.517 -3.897 2.527 1.00 0.00 C ATOM 129 CG ASN A 25 20.740 -3.553 4.004 1.00 0.00 C ATOM 130 OD1 ASN A 25 21.136 -2.437 4.344 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.514 -4.555 4.893 1.00 0.00 N ATOM 0 H ASN A 25 20.949 -5.065 0.150 1.00 0.00 H new ATOM 0 HA ASN A 25 22.412 -3.109 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 25 19.897 -3.125 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.962 -4.833 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.672 -4.399 5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.186 -5.463 4.565 1.00 0.00 H new ATOM 138 N CYS A 26 23.753 -4.853 3.037 1.00 0.00 N ATOM 139 CA CYS A 26 24.550 -5.822 3.771 1.00 0.00 C ATOM 140 C CYS A 26 24.120 -5.797 5.227 1.00 0.00 C ATOM 141 O CYS A 26 23.679 -4.772 5.745 1.00 0.00 O ATOM 142 CB CYS A 26 26.074 -5.526 3.784 1.00 0.00 C ATOM 143 SG CYS A 26 26.857 -5.472 2.155 1.00 0.00 S ATOM 0 H CYS A 26 24.070 -3.892 3.166 1.00 0.00 H new ATOM 0 HA CYS A 26 24.386 -6.775 3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.239 -4.570 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.572 -6.288 4.384 1.00 0.00 H new ATOM 148 N THR A 27 24.275 -6.933 5.937 1.00 0.00 N ATOM 149 CA THR A 27 24.018 -7.040 7.370 1.00 0.00 C ATOM 150 C THR A 27 25.298 -7.656 7.874 1.00 0.00 C ATOM 151 O THR A 27 25.978 -8.321 7.101 1.00 0.00 O ATOM 152 CB THR A 27 22.840 -7.933 7.738 1.00 0.00 C ATOM 153 OG1 THR A 27 21.666 -7.496 7.068 1.00 0.00 O ATOM 154 CG2 THR A 27 22.502 -7.884 9.241 1.00 0.00 C ATOM 0 H THR A 27 24.587 -7.808 5.516 1.00 0.00 H new ATOM 0 HA THR A 27 23.753 -6.072 7.796 1.00 0.00 H new ATOM 0 HB THR A 27 23.137 -8.942 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.915 -8.078 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 27 21.655 -8.539 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.365 -8.215 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.247 -6.863 9.523 1.00 0.00 H new ATOM 162 N SER A 28 25.667 -7.490 9.161 1.00 0.00 N ATOM 163 CA SER A 28 27.011 -7.698 9.695 1.00 0.00 C ATOM 164 C SER A 28 27.647 -9.049 9.378 1.00 0.00 C ATOM 165 O SER A 28 28.834 -9.116 9.064 1.00 0.00 O ATOM 166 CB SER A 28 26.971 -7.470 11.230 1.00 0.00 C ATOM 167 OG SER A 28 28.239 -7.641 11.848 1.00 0.00 O ATOM 0 H SER A 28 25.004 -7.196 9.878 1.00 0.00 H new ATOM 0 HA SER A 28 27.653 -6.975 9.191 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.606 -6.463 11.433 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.258 -8.163 11.677 1.00 0.00 H new ATOM 0 HG SER A 28 28.157 -7.485 12.812 1.00 0.00 H new ATOM 173 N GLY A 29 26.875 -10.157 9.406 1.00 0.00 N ATOM 174 CA GLY A 29 27.394 -11.477 9.075 1.00 0.00 C ATOM 175 C GLY A 29 27.583 -11.779 7.601 1.00 0.00 C ATOM 176 O GLY A 29 28.020 -12.879 7.274 1.00 0.00 O ATOM 0 H GLY A 29 25.887 -10.150 9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.355 -11.601 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 29 26.719 -12.224 9.493 1.00 0.00 H new ATOM 180 N GLN A 30 27.257 -10.854 6.665 1.00 0.00 N ATOM 181 CA GLN A 30 27.448 -11.110 5.245 1.00 0.00 C ATOM 182 C GLN A 30 27.885 -9.859 4.493 1.00 0.00 C ATOM 183 O GLN A 30 27.395 -8.755 4.721 1.00 0.00 O ATOM 184 CB GLN A 30 26.148 -11.680 4.600 1.00 0.00 C ATOM 185 CG GLN A 30 24.924 -10.734 4.674 1.00 0.00 C ATOM 186 CD GLN A 30 23.655 -11.391 4.122 1.00 0.00 C ATOM 187 OE1 GLN A 30 23.432 -11.428 2.911 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.787 -11.900 5.036 1.00 0.00 N ATOM 0 H GLN A 30 26.865 -9.937 6.880 1.00 0.00 H new ATOM 0 HA GLN A 30 28.244 -11.851 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 30 26.349 -11.912 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.895 -12.619 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.757 -10.438 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.135 -9.824 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 30 23.007 -11.851 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.916 -12.331 4.727 1.00 0.00 H new ATOM 197 N ASN A 31 28.814 -9.998 3.520 1.00 0.00 N ATOM 198 CA ASN A 31 29.140 -8.913 2.612 1.00 0.00 C ATOM 199 C ASN A 31 28.435 -9.218 1.305 1.00 0.00 C ATOM 200 O ASN A 31 28.852 -10.094 0.551 1.00 0.00 O ATOM 201 CB ASN A 31 30.666 -8.783 2.364 1.00 0.00 C ATOM 202 CG ASN A 31 31.420 -8.480 3.661 1.00 0.00 C ATOM 203 OD1 ASN A 31 32.289 -9.254 4.068 1.00 0.00 O ATOM 204 ND2 ASN A 31 31.109 -7.331 4.317 1.00 0.00 N ATOM 0 H ASN A 31 29.342 -10.856 3.356 1.00 0.00 H new ATOM 0 HA ASN A 31 28.818 -7.966 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 31 31.045 -9.708 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.852 -7.990 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.601 -7.085 5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.384 -6.715 3.950 1.00 0.00 H new ATOM 211 N GLU A 32 27.316 -8.517 1.031 1.00 0.00 N ATOM 212 CA GLU A 32 26.415 -8.873 -0.042 1.00 0.00 C ATOM 213 C GLU A 32 26.193 -7.662 -0.929 1.00 0.00 C ATOM 214 O GLU A 32 25.318 -6.845 -0.659 1.00 0.00 O ATOM 215 CB GLU A 32 25.077 -9.349 0.584 1.00 0.00 C ATOM 216 CG GLU A 32 23.992 -9.859 -0.399 1.00 0.00 C ATOM 217 CD GLU A 32 24.422 -11.093 -1.192 1.00 0.00 C ATOM 218 OE1 GLU A 32 24.485 -10.983 -2.445 1.00 0.00 O ATOM 219 OE2 GLU A 32 24.683 -12.151 -0.563 1.00 0.00 O ATOM 0 H GLU A 32 27.027 -7.692 1.557 1.00 0.00 H new ATOM 0 HA GLU A 32 26.833 -9.674 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.298 -10.148 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.656 -8.523 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.087 -10.094 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.738 -9.059 -1.095 1.00 0.00 H new ATOM 226 N CYS A 33 26.971 -7.523 -2.025 1.00 0.00 N ATOM 227 CA CYS A 33 26.757 -6.505 -3.039 1.00 0.00 C ATOM 228 C CYS A 33 26.931 -7.167 -4.390 1.00 0.00 C ATOM 229 O CYS A 33 27.612 -8.192 -4.452 1.00 0.00 O ATOM 230 CB CYS A 33 27.745 -5.306 -2.958 1.00 0.00 C ATOM 231 SG CYS A 33 27.623 -4.344 -1.419 1.00 0.00 S ATOM 0 H CYS A 33 27.769 -8.128 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 33 25.759 -6.097 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.763 -5.681 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.564 -4.642 -3.804 1.00 0.00 H new ATOM 236 N PRO A 34 26.377 -6.660 -5.493 1.00 0.00 N ATOM 237 CA PRO A 34 26.788 -7.064 -6.835 1.00 0.00 C ATOM 238 C PRO A 34 28.182 -6.531 -7.154 1.00 0.00 C ATOM 239 O PRO A 34 28.659 -5.607 -6.494 1.00 0.00 O ATOM 240 CB PRO A 34 25.717 -6.429 -7.738 1.00 0.00 C ATOM 241 CG PRO A 34 25.290 -5.174 -6.976 1.00 0.00 C ATOM 242 CD PRO A 34 25.329 -5.632 -5.521 1.00 0.00 C ATOM 0 HA PRO A 34 26.855 -8.144 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.118 -6.182 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.877 -7.105 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.969 -4.341 -7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.294 -4.842 -7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.564 -4.806 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.367 -6.036 -5.205 1.00 0.00 H new ATOM 250 N GLU A 35 28.875 -7.125 -8.154 1.00 0.00 N ATOM 251 CA GLU A 35 30.250 -6.792 -8.488 1.00 0.00 C ATOM 252 C GLU A 35 30.425 -5.349 -8.952 1.00 0.00 C ATOM 253 O GLU A 35 29.656 -4.832 -9.761 1.00 0.00 O ATOM 254 CB GLU A 35 30.797 -7.773 -9.566 1.00 0.00 C ATOM 255 CG GLU A 35 32.276 -7.585 -10.012 1.00 0.00 C ATOM 256 CD GLU A 35 33.300 -7.793 -8.891 1.00 0.00 C ATOM 257 OE1 GLU A 35 34.029 -8.816 -8.945 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.370 -6.915 -7.990 1.00 0.00 O ATOM 0 H GLU A 35 28.478 -7.853 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 35 30.826 -6.896 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.685 -8.789 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.164 -7.691 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 35 32.492 -8.283 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.397 -6.581 -10.418 1.00 0.00 H new ATOM 265 N GLY A 36 31.465 -4.664 -8.418 1.00 0.00 N ATOM 266 CA GLY A 36 31.737 -3.255 -8.676 1.00 0.00 C ATOM 267 C GLY A 36 31.209 -2.338 -7.605 1.00 0.00 C ATOM 268 O GLY A 36 31.564 -1.162 -7.572 1.00 0.00 O ATOM 0 H GLY A 36 32.141 -5.095 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.814 -3.111 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.295 -2.977 -9.633 1.00 0.00 H new ATOM 272 N CYS A 37 30.361 -2.852 -6.692 1.00 0.00 N ATOM 273 CA CYS A 37 29.790 -2.095 -5.594 1.00 0.00 C ATOM 274 C CYS A 37 30.306 -2.627 -4.269 1.00 0.00 C ATOM 275 O CYS A 37 30.688 -3.790 -4.152 1.00 0.00 O ATOM 276 CB CYS A 37 28.238 -2.140 -5.617 1.00 0.00 C ATOM 277 SG CYS A 37 27.560 -1.359 -7.117 1.00 0.00 S ATOM 0 H CYS A 37 30.057 -3.825 -6.710 1.00 0.00 H new ATOM 0 HA CYS A 37 30.097 -1.056 -5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.904 -3.176 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.847 -1.633 -4.735 1.00 0.00 H new ATOM 282 N PHE A 38 30.339 -1.769 -3.225 1.00 0.00 N ATOM 283 CA PHE A 38 30.785 -2.147 -1.892 1.00 0.00 C ATOM 284 C PHE A 38 29.734 -1.612 -0.941 1.00 0.00 C ATOM 285 O PHE A 38 29.025 -0.676 -1.299 1.00 0.00 O ATOM 286 CB PHE A 38 32.188 -1.554 -1.512 1.00 0.00 C ATOM 287 CG PHE A 38 32.182 -0.048 -1.347 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.201 0.810 -2.456 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.061 0.506 -0.057 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.029 2.187 -2.283 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.895 1.884 0.120 1.00 0.00 C ATOM 292 CZ PHE A 38 31.866 2.725 -0.999 1.00 0.00 C ATOM 0 H PHE A 38 30.053 -0.793 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 38 30.901 -3.230 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.528 -2.012 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.909 -1.824 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.349 0.406 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.097 -0.142 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.022 2.840 -3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.790 2.296 1.113 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.718 3.787 -0.873 1.00 0.00 H new ATOM 302 N CYS A 39 29.609 -2.152 0.291 1.00 0.00 N ATOM 303 CA CYS A 39 28.713 -1.582 1.282 1.00 0.00 C ATOM 304 C CYS A 39 29.441 -0.920 2.417 1.00 0.00 C ATOM 305 O CYS A 39 30.512 -1.342 2.852 1.00 0.00 O ATOM 306 CB CYS A 39 27.688 -2.625 1.824 1.00 0.00 C ATOM 307 SG CYS A 39 28.408 -4.186 2.421 1.00 0.00 S ATOM 0 H CYS A 39 30.120 -2.976 0.607 1.00 0.00 H new ATOM 0 HA CYS A 39 28.157 -0.806 0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.126 -2.168 2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 39 26.974 -2.853 1.033 1.00 0.00 H new ATOM 312 N GLY A 40 28.822 0.161 2.945 1.00 0.00 N ATOM 313 CA GLY A 40 29.322 0.894 4.097 1.00 0.00 C ATOM 314 C GLY A 40 28.910 0.216 5.367 1.00 0.00 C ATOM 315 O GLY A 40 28.067 0.717 6.105 1.00 0.00 O ATOM 0 H GLY A 40 27.953 0.541 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.409 0.961 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.939 1.914 4.081 1.00 0.00 H new ATOM 319 N LEU A 41 29.490 -0.971 5.632 1.00 0.00 N ATOM 320 CA LEU A 41 29.143 -1.799 6.767 1.00 0.00 C ATOM 321 C LEU A 41 30.085 -1.401 7.891 1.00 0.00 C ATOM 322 O LEU A 41 31.309 -1.433 7.746 1.00 0.00 O ATOM 323 CB LEU A 41 29.297 -3.295 6.381 1.00 0.00 C ATOM 324 CG LEU A 41 28.780 -4.361 7.380 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.596 -4.501 8.675 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.286 -4.178 7.680 1.00 0.00 C ATOM 0 H LEU A 41 30.221 -1.373 5.046 1.00 0.00 H new ATOM 0 HA LEU A 41 28.109 -1.659 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 41 28.783 -3.450 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.355 -3.487 6.205 1.00 0.00 H new ATOM 0 HG LEU A 41 28.924 -5.308 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 41 29.151 -5.272 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 41 30.621 -4.779 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.595 -3.551 9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.960 -4.944 8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.120 -3.192 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.716 -4.268 6.756 1.00 0.00 H new ATOM 338 N LEU A 42 29.538 -0.970 9.050 1.00 0.00 N ATOM 339 CA LEU A 42 30.312 -0.219 10.020 1.00 0.00 C ATOM 340 C LEU A 42 31.063 -1.155 10.954 1.00 0.00 C ATOM 341 O LEU A 42 30.658 -1.358 12.096 1.00 0.00 O ATOM 342 CB LEU A 42 29.443 0.714 10.918 1.00 0.00 C ATOM 343 CG LEU A 42 28.566 1.761 10.188 1.00 0.00 C ATOM 344 CD1 LEU A 42 29.225 2.407 8.953 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.169 1.180 9.891 1.00 0.00 C ATOM 0 H LEU A 42 28.569 -1.136 9.320 1.00 0.00 H new ATOM 0 HA LEU A 42 30.992 0.391 9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 28.790 0.089 11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.107 1.243 11.602 1.00 0.00 H new ATOM 0 HG LEU A 42 28.450 2.597 10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 42 28.537 3.126 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.139 2.918 9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.465 1.634 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.565 1.928 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.269 0.298 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.684 0.902 10.827 1.00 0.00 H new ATOM 357 N GLY A 43 32.188 -1.751 10.491 1.00 0.00 N ATOM 358 CA GLY A 43 33.147 -2.439 11.355 1.00 0.00 C ATOM 359 C GLY A 43 32.611 -3.641 12.089 1.00 0.00 C ATOM 360 O GLY A 43 32.837 -3.771 13.288 1.00 0.00 O ATOM 0 H GLY A 43 32.446 -1.762 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.996 -2.754 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.526 -1.727 12.088 1.00 0.00 H new ATOM 364 N GLN A 44 31.864 -4.515 11.374 1.00 0.00 N ATOM 365 CA GLN A 44 31.107 -5.669 11.854 1.00 0.00 C ATOM 366 C GLN A 44 30.204 -5.422 13.061 1.00 0.00 C ATOM 367 O GLN A 44 30.081 -6.244 13.967 1.00 0.00 O ATOM 368 CB GLN A 44 31.999 -6.944 12.056 1.00 0.00 C ATOM 369 CG GLN A 44 33.143 -6.861 13.096 1.00 0.00 C ATOM 370 CD GLN A 44 33.941 -8.166 13.180 1.00 0.00 C ATOM 371 OE1 GLN A 44 33.907 -8.881 14.182 1.00 0.00 O ATOM 372 NE2 GLN A 44 34.702 -8.480 12.097 1.00 0.00 N ATOM 0 H GLN A 44 31.776 -4.412 10.363 1.00 0.00 H new ATOM 0 HA GLN A 44 30.418 -5.862 11.032 1.00 0.00 H new ATOM 0 HB2 GLN A 44 31.346 -7.769 12.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 32.439 -7.202 11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 44 33.813 -6.043 12.832 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.726 -6.628 14.076 1.00 0.00 H new ATOM 0 HE21 GLN A 44 34.708 -7.866 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 44 35.267 -9.329 12.099 1.00 0.00 H new ATOM 381 N ASN A 45 29.467 -4.284 13.042 1.00 0.00 N ATOM 382 CA ASN A 45 28.419 -4.001 14.010 1.00 0.00 C ATOM 383 C ASN A 45 27.029 -4.347 13.484 1.00 0.00 C ATOM 384 O ASN A 45 26.434 -5.329 13.920 1.00 0.00 O ATOM 385 CB ASN A 45 28.444 -2.508 14.450 1.00 0.00 C ATOM 386 CG ASN A 45 29.643 -2.250 15.369 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.606 -2.625 16.544 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.710 -1.598 14.850 1.00 0.00 N ATOM 0 H ASN A 45 29.595 -3.547 12.349 1.00 0.00 H new ATOM 0 HA ASN A 45 28.625 -4.637 14.871 1.00 0.00 H new ATOM 0 HB2 ASN A 45 28.503 -1.863 13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 45 27.518 -2.258 14.968 1.00 0.00 H new ATOM 0 HD21 ASN A 45 31.521 -1.401 15.436 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.702 -1.304 13.873 1.00 0.00 H new ATOM 395 N LYS A 46 26.456 -3.540 12.555 1.00 0.00 N ATOM 396 CA LYS A 46 25.028 -3.595 12.259 1.00 0.00 C ATOM 397 C LYS A 46 24.718 -3.952 10.814 1.00 0.00 C ATOM 398 O LYS A 46 24.739 -5.120 10.426 1.00 0.00 O ATOM 399 CB LYS A 46 24.342 -2.255 12.642 1.00 0.00 C ATOM 400 CG LYS A 46 24.433 -1.992 14.152 1.00 0.00 C ATOM 401 CD LYS A 46 23.700 -0.724 14.615 1.00 0.00 C ATOM 402 CE LYS A 46 23.913 -0.410 16.098 1.00 0.00 C ATOM 403 NZ LYS A 46 23.409 -1.522 16.929 1.00 0.00 N ATOM 0 H LYS A 46 26.971 -2.851 12.007 1.00 0.00 H new ATOM 0 HA LYS A 46 24.623 -4.404 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.812 -1.435 12.099 1.00 0.00 H new ATOM 0 HB3 LYS A 46 23.296 -2.280 12.338 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.023 -2.850 14.684 1.00 0.00 H new ATOM 0 HG3 LYS A 46 25.483 -1.914 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.041 0.123 14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.633 -0.839 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.973 -0.250 16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.397 0.513 16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.433 -1.245 17.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.431 -1.745 16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.008 -2.360 16.788 1.00 0.00 H new ATOM 417 N LYS A 47 24.372 -2.943 9.988 1.00 0.00 N ATOM 418 CA LYS A 47 23.962 -3.118 8.616 1.00 0.00 C ATOM 419 C LYS A 47 24.461 -1.932 7.829 1.00 0.00 C ATOM 420 O LYS A 47 24.823 -0.909 8.410 1.00 0.00 O ATOM 421 CB LYS A 47 22.420 -3.296 8.484 1.00 0.00 C ATOM 422 CG LYS A 47 21.524 -2.142 8.981 1.00 0.00 C ATOM 423 CD LYS A 47 21.218 -1.059 7.927 1.00 0.00 C ATOM 424 CE LYS A 47 20.058 -0.132 8.306 1.00 0.00 C ATOM 425 NZ LYS A 47 20.395 0.643 9.515 1.00 0.00 N ATOM 0 H LYS A 47 24.377 -1.967 10.283 1.00 0.00 H new ATOM 0 HA LYS A 47 24.395 -4.035 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.190 -3.471 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.138 -4.198 9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.582 -2.560 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.006 -1.670 9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 47 22.113 -0.458 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.987 -1.544 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.841 0.546 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.157 -0.719 8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.600 1.267 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.580 -0.008 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.243 1.218 9.334 1.00 0.00 H new ATOM 439 N GLY A 48 24.542 -2.058 6.488 1.00 0.00 N ATOM 440 CA GLY A 48 25.030 -0.973 5.655 1.00 0.00 C ATOM 441 C GLY A 48 24.627 -1.194 4.229 1.00 0.00 C ATOM 442 O GLY A 48 24.477 -2.326 3.779 1.00 0.00 O ATOM 0 H GLY A 48 24.275 -2.898 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.630 -0.024 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 48 26.116 -0.909 5.728 1.00 0.00 H new ATOM 446 N HIS A 49 24.453 -0.102 3.460 1.00 0.00 N ATOM 447 CA HIS A 49 23.882 -0.162 2.127 1.00 0.00 C ATOM 448 C HIS A 49 24.993 -0.135 1.086 1.00 0.00 C ATOM 449 O HIS A 49 26.046 0.465 1.309 1.00 0.00 O ATOM 450 CB HIS A 49 22.896 1.015 1.921 1.00 0.00 C ATOM 451 CG HIS A 49 22.053 0.933 0.676 1.00 0.00 C ATOM 452 ND1 HIS A 49 21.044 -0.013 0.607 1.00 0.00 N ATOM 453 CD2 HIS A 49 22.060 1.700 -0.448 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.463 0.199 -0.556 1.00 0.00 C ATOM 455 NE2 HIS A 49 21.034 1.225 -1.235 1.00 0.00 N ATOM 0 H HIS A 49 24.708 0.840 3.757 1.00 0.00 H new ATOM 0 HA HIS A 49 23.328 -1.094 2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.235 1.070 2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.465 1.945 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.732 2.514 -0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.628 -0.378 -0.926 1.00 0.00 H new ATOM 0 HE2 HIS A 49 20.757 1.577 -2.151 1.00 0.00 H new ATOM 463 N CYS A 50 24.809 -0.828 -0.067 1.00 0.00 N ATOM 464 CA CYS A 50 25.804 -0.891 -1.128 1.00 0.00 C ATOM 465 C CYS A 50 25.839 0.387 -1.954 1.00 0.00 C ATOM 466 O CYS A 50 24.801 0.937 -2.333 1.00 0.00 O ATOM 467 CB CYS A 50 25.591 -2.085 -2.105 1.00 0.00 C ATOM 468 SG CYS A 50 25.689 -3.718 -1.298 1.00 0.00 S ATOM 0 H CYS A 50 23.959 -1.354 -0.271 1.00 0.00 H new ATOM 0 HA CYS A 50 26.750 -1.029 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.616 -1.983 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.340 -2.034 -2.895 1.00 0.00 H new ATOM 473 N TYR A 51 27.058 0.878 -2.267 1.00 0.00 N ATOM 474 CA TYR A 51 27.263 2.105 -3.009 1.00 0.00 C ATOM 475 C TYR A 51 28.249 1.805 -4.127 1.00 0.00 C ATOM 476 O TYR A 51 29.004 0.832 -4.078 1.00 0.00 O ATOM 477 CB TYR A 51 27.923 3.272 -2.220 1.00 0.00 C ATOM 478 CG TYR A 51 27.292 3.549 -0.886 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.135 3.515 0.236 1.00 0.00 C ATOM 480 CD2 TYR A 51 25.922 3.796 -0.701 1.00 0.00 C ATOM 481 CE1 TYR A 51 27.620 3.674 1.528 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.402 3.968 0.591 1.00 0.00 C ATOM 483 CZ TYR A 51 26.248 3.892 1.706 1.00 0.00 C ATOM 484 OH TYR A 51 25.710 4.024 3.004 1.00 0.00 O ATOM 0 H TYR A 51 27.927 0.415 -2.000 1.00 0.00 H new ATOM 0 HA TYR A 51 26.265 2.420 -3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 28.978 3.043 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 51 27.877 4.177 -2.826 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.196 3.364 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.266 3.854 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.278 3.629 2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.348 4.159 0.727 1.00 0.00 H new ATOM 0 HH TYR A 51 24.743 4.172 2.944 1.00 0.00 H new ATOM 494 N LYS A 52 28.283 2.682 -5.148 1.00 0.00 N ATOM 495 CA LYS A 52 29.353 2.752 -6.120 1.00 0.00 C ATOM 496 C LYS A 52 30.046 4.098 -5.927 1.00 0.00 C ATOM 497 O LYS A 52 29.379 5.130 -5.831 1.00 0.00 O ATOM 498 CB LYS A 52 28.808 2.658 -7.566 1.00 0.00 C ATOM 499 CG LYS A 52 29.893 2.625 -8.658 1.00 0.00 C ATOM 500 CD LYS A 52 29.347 2.675 -10.100 1.00 0.00 C ATOM 501 CE LYS A 52 28.269 1.638 -10.411 1.00 0.00 C ATOM 502 NZ LYS A 52 27.945 1.673 -11.852 1.00 0.00 N ATOM 0 H LYS A 52 27.546 3.368 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 52 30.040 1.919 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.197 1.760 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.152 3.509 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.568 3.468 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.485 1.718 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.940 3.669 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 52 30.177 2.536 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.616 0.643 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.375 1.841 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.211 0.966 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.596 2.619 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 28.799 1.458 -12.405 1.00 0.00 H new ATOM 516 N ILE A 53 31.403 4.120 -5.870 1.00 0.00 N ATOM 517 CA ILE A 53 32.196 5.345 -5.905 1.00 0.00 C ATOM 518 C ILE A 53 32.867 5.495 -7.250 1.00 0.00 C ATOM 519 O ILE A 53 33.547 4.602 -7.756 1.00 0.00 O ATOM 520 CB ILE A 53 33.223 5.483 -4.775 1.00 0.00 C ATOM 521 CG1 ILE A 53 32.512 5.644 -3.412 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.196 6.662 -5.016 1.00 0.00 C ATOM 523 CD1 ILE A 53 33.449 5.554 -2.201 1.00 0.00 C ATOM 0 H ILE A 53 31.968 3.274 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 53 31.485 6.155 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 53 33.814 4.567 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.002 6.607 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 31.745 4.875 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 34.906 6.722 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.737 6.503 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 53 33.632 7.593 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 53 32.872 5.677 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 53 33.940 4.581 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 53 34.202 6.340 -2.264 1.00 0.00 H new ATOM 535 N ILE A 54 32.651 6.679 -7.853 1.00 0.00 N ATOM 536 CA ILE A 54 33.105 7.079 -9.161 1.00 0.00 C ATOM 537 C ILE A 54 33.796 8.426 -9.100 1.00 0.00 C ATOM 538 O ILE A 54 33.664 9.186 -8.139 1.00 0.00 O ATOM 539 CB ILE A 54 31.984 7.044 -10.206 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.714 7.840 -9.785 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.708 5.588 -10.630 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.682 7.060 -8.940 1.00 0.00 C ATOM 0 H ILE A 54 32.118 7.417 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 54 33.840 6.346 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 54 32.328 7.580 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.029 8.718 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.219 8.201 -10.686 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.910 5.570 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.612 5.156 -11.058 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.406 5.006 -9.759 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.840 7.710 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.328 6.197 -9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.150 6.722 -8.015 1.00 0.00 H new ATOM 554 N GLY A 55 34.612 8.731 -10.136 1.00 0.00 N ATOM 555 CA GLY A 55 35.529 9.861 -10.152 1.00 0.00 C ATOM 556 C GLY A 55 36.903 9.432 -9.722 1.00 0.00 C ATOM 557 O GLY A 55 37.804 9.321 -10.547 1.00 0.00 O ATOM 0 H GLY A 55 34.641 8.179 -10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.572 10.287 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.162 10.644 -9.488 1.00 0.00 H new ATOM 561 N ASN A 56 37.097 9.161 -8.414 1.00 0.00 N ATOM 562 CA ASN A 56 38.352 8.659 -7.851 1.00 0.00 C ATOM 563 C ASN A 56 39.627 9.500 -8.195 1.00 0.00 C ATOM 564 O ASN A 56 39.624 10.717 -7.868 1.00 0.00 O ATOM 565 CB ASN A 56 38.560 7.152 -8.216 1.00 0.00 C ATOM 566 CG ASN A 56 37.438 6.319 -7.597 1.00 0.00 C ATOM 567 OD1 ASN A 56 37.262 6.348 -6.377 1.00 0.00 O ATOM 568 ND2 ASN A 56 36.661 5.584 -8.434 1.00 0.00 N ATOM 569 OXT ASN A 56 40.608 8.921 -8.733 1.00 0.00 O ATOM 0 H ASN A 56 36.367 9.290 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 56 38.236 8.766 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 56 38.566 7.026 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.527 6.808 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 56 35.894 5.025 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.844 5.591 -9.437 1.00 0.00 H new TER 576 ASN A 56