USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 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= -0.0578 X(o=-0.058,f=-0.33) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.594 K(o=-0.59,f=0) 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= 0.433 X(o=0.43,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.00589) USER MOD Single : A 49 HIS : no HE2:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0892) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 34.954 13.182 -6.736 1.00 0.00 N ATOM 2 CA PHE A 17 34.282 12.140 -5.887 1.00 0.00 C ATOM 3 C PHE A 17 32.793 12.341 -5.606 1.00 0.00 C ATOM 4 O PHE A 17 32.365 13.306 -4.974 1.00 0.00 O ATOM 5 CB PHE A 17 35.110 12.026 -4.565 1.00 0.00 C ATOM 6 CG PHE A 17 34.599 11.025 -3.541 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.711 11.329 -2.172 1.00 0.00 C ATOM 8 CD2 PHE A 17 33.949 9.833 -3.909 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.160 10.485 -1.198 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.356 9.011 -2.943 1.00 0.00 C ATOM 11 CZ PHE A 17 33.469 9.330 -1.586 1.00 0.00 C ATOM 0 HA PHE A 17 34.279 11.212 -6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.135 11.760 -4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.145 13.009 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.229 12.226 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 17 33.907 9.548 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 17 34.268 10.725 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 32.811 8.129 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.025 8.688 -0.840 1.00 0.00 H new ATOM 23 N ASP A 18 31.965 11.366 -6.056 1.00 0.00 N ATOM 24 CA ASP A 18 30.616 11.175 -5.572 1.00 0.00 C ATOM 25 C ASP A 18 30.505 9.750 -5.047 1.00 0.00 C ATOM 26 O ASP A 18 31.153 8.834 -5.558 1.00 0.00 O ATOM 27 CB ASP A 18 29.562 11.411 -6.686 1.00 0.00 C ATOM 28 CG ASP A 18 29.558 12.872 -7.119 1.00 0.00 C ATOM 29 OD1 ASP A 18 29.184 13.730 -6.278 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.891 13.135 -8.304 1.00 0.00 O ATOM 0 H ASP A 18 32.238 10.694 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 18 30.415 11.901 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 29.781 10.773 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.573 11.131 -6.324 1.00 0.00 H new ATOM 35 N VAL A 19 29.660 9.529 -4.016 1.00 0.00 N ATOM 36 CA VAL A 19 29.277 8.200 -3.575 1.00 0.00 C ATOM 37 C VAL A 19 27.777 8.105 -3.730 1.00 0.00 C ATOM 38 O VAL A 19 27.029 9.017 -3.373 1.00 0.00 O ATOM 39 CB VAL A 19 29.740 7.865 -2.150 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.195 8.858 -1.101 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.361 6.411 -1.785 1.00 0.00 C ATOM 0 H VAL A 19 29.232 10.280 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 19 29.780 7.453 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 19 30.826 7.960 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.553 8.574 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.541 9.864 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.105 8.838 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.697 6.191 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.279 6.292 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.840 5.724 -2.483 1.00 0.00 H new ATOM 51 N VAL A 20 27.314 7.002 -4.346 1.00 0.00 N ATOM 52 CA VAL A 20 25.918 6.739 -4.632 1.00 0.00 C ATOM 53 C VAL A 20 25.613 5.309 -4.254 1.00 0.00 C ATOM 54 O VAL A 20 26.498 4.453 -4.207 1.00 0.00 O ATOM 55 CB VAL A 20 25.527 7.006 -6.087 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.594 8.511 -6.404 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.507 6.273 -7.008 1.00 0.00 C ATOM 0 H VAL A 20 27.932 6.255 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 20 25.323 7.434 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 20 24.507 6.654 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.312 8.677 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.908 9.051 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.610 8.872 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.236 6.457 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.518 6.637 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.465 5.203 -6.806 1.00 0.00 H new ATOM 67 N SER A 21 24.331 5.012 -3.956 1.00 0.00 N ATOM 68 CA SER A 21 23.894 3.673 -3.622 1.00 0.00 C ATOM 69 C SER A 21 23.693 2.780 -4.838 1.00 0.00 C ATOM 70 O SER A 21 23.488 3.237 -5.961 1.00 0.00 O ATOM 71 CB SER A 21 22.605 3.709 -2.756 1.00 0.00 C ATOM 72 OG SER A 21 21.509 4.305 -3.447 1.00 0.00 O ATOM 0 H SER A 21 23.583 5.705 -3.945 1.00 0.00 H new ATOM 0 HA SER A 21 24.704 3.230 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.338 2.694 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.800 4.265 -1.839 1.00 0.00 H new ATOM 0 HG SER A 21 20.719 4.306 -2.868 1.00 0.00 H new ATOM 78 N CYS A 22 23.752 1.447 -4.619 1.00 0.00 N ATOM 79 CA CYS A 22 23.522 0.442 -5.648 1.00 0.00 C ATOM 80 C CYS A 22 22.170 -0.229 -5.494 1.00 0.00 C ATOM 81 O CYS A 22 21.889 -1.226 -6.155 1.00 0.00 O ATOM 82 CB CYS A 22 24.633 -0.636 -5.638 1.00 0.00 C ATOM 83 SG CYS A 22 26.245 0.058 -6.090 1.00 0.00 S ATOM 0 H CYS A 22 23.965 1.047 -3.705 1.00 0.00 H new ATOM 0 HA CYS A 22 23.540 0.968 -6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.695 -1.085 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.372 -1.434 -6.334 1.00 0.00 H new ATOM 88 N ASN A 23 21.305 0.318 -4.606 1.00 0.00 N ATOM 89 CA ASN A 23 19.971 -0.163 -4.270 1.00 0.00 C ATOM 90 C ASN A 23 19.959 -1.615 -3.783 1.00 0.00 C ATOM 91 O ASN A 23 19.116 -2.416 -4.186 1.00 0.00 O ATOM 92 CB ASN A 23 18.996 0.038 -5.474 1.00 0.00 C ATOM 93 CG ASN A 23 17.528 -0.043 -5.040 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.136 0.591 -4.057 1.00 0.00 O ATOM 95 ND2 ASN A 23 16.701 -0.829 -5.777 1.00 0.00 N ATOM 0 H ASN A 23 21.549 1.158 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 23 19.623 0.438 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.185 1.007 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.193 -0.721 -6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.716 -0.911 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.065 -1.337 -6.583 1.00 0.00 H new ATOM 102 N LYS A 24 20.907 -1.996 -2.896 1.00 0.00 N ATOM 103 CA LYS A 24 20.993 -3.367 -2.442 1.00 0.00 C ATOM 104 C LYS A 24 21.308 -3.383 -0.955 1.00 0.00 C ATOM 105 O LYS A 24 22.177 -2.649 -0.480 1.00 0.00 O ATOM 106 CB LYS A 24 22.083 -4.144 -3.223 1.00 0.00 C ATOM 107 CG LYS A 24 22.107 -5.658 -2.962 1.00 0.00 C ATOM 108 CD LYS A 24 20.918 -6.328 -3.667 1.00 0.00 C ATOM 109 CE LYS A 24 20.856 -7.840 -3.511 1.00 0.00 C ATOM 110 NZ LYS A 24 19.638 -8.306 -4.199 1.00 0.00 N ATOM 0 H LYS A 24 21.605 -1.369 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 24 20.036 -3.857 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.935 -3.976 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.058 -3.730 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.043 -6.084 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.062 -5.852 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.994 -5.898 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.960 -6.087 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.742 -8.307 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.831 -8.116 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.564 -9.340 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.803 -7.861 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.686 -8.046 -5.205 1.00 0.00 H new ATOM 124 N ASN A 25 20.586 -4.236 -0.193 1.00 0.00 N ATOM 125 CA ASN A 25 20.726 -4.435 1.237 1.00 0.00 C ATOM 126 C ASN A 25 21.794 -5.485 1.503 1.00 0.00 C ATOM 127 O ASN A 25 21.681 -6.629 1.071 1.00 0.00 O ATOM 128 CB ASN A 25 19.341 -4.862 1.822 1.00 0.00 C ATOM 129 CG ASN A 25 19.174 -5.059 3.342 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.064 -5.398 3.762 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.228 -4.889 4.176 1.00 0.00 N ATOM 0 H ASN A 25 19.858 -4.826 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 25 21.039 -3.512 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.613 -4.113 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.061 -5.799 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.115 -5.042 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.134 -4.608 3.802 1.00 0.00 H new ATOM 138 N CYS A 26 22.848 -5.104 2.256 1.00 0.00 N ATOM 139 CA CYS A 26 23.881 -6.008 2.716 1.00 0.00 C ATOM 140 C CYS A 26 23.853 -6.049 4.228 1.00 0.00 C ATOM 141 O CYS A 26 23.185 -5.241 4.867 1.00 0.00 O ATOM 142 CB CYS A 26 25.292 -5.595 2.207 1.00 0.00 C ATOM 143 SG CYS A 26 25.841 -3.938 2.747 1.00 0.00 S ATOM 0 H CYS A 26 22.992 -4.140 2.557 1.00 0.00 H new ATOM 0 HA CYS A 26 23.680 -6.999 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.018 -6.333 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.294 -5.627 1.117 1.00 0.00 H new ATOM 148 N THR A 27 24.558 -7.027 4.833 1.00 0.00 N ATOM 149 CA THR A 27 24.794 -7.072 6.269 1.00 0.00 C ATOM 150 C THR A 27 26.291 -7.275 6.390 1.00 0.00 C ATOM 151 O THR A 27 26.890 -7.937 5.541 1.00 0.00 O ATOM 152 CB THR A 27 24.043 -8.171 7.012 1.00 0.00 C ATOM 153 OG1 THR A 27 22.644 -8.056 6.791 1.00 0.00 O ATOM 154 CG2 THR A 27 24.224 -8.065 8.541 1.00 0.00 C ATOM 0 H THR A 27 24.977 -7.806 4.326 1.00 0.00 H new ATOM 0 HA THR A 27 24.425 -6.158 6.734 1.00 0.00 H new ATOM 0 HB THR A 27 24.447 -9.111 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.177 -8.770 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.672 -8.868 9.029 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.282 -8.150 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.846 -7.103 8.886 1.00 0.00 H new ATOM 162 N SER A 28 26.943 -6.704 7.431 1.00 0.00 N ATOM 163 CA SER A 28 28.394 -6.618 7.606 1.00 0.00 C ATOM 164 C SER A 28 29.092 -7.970 7.605 1.00 0.00 C ATOM 165 O SER A 28 30.188 -8.100 7.073 1.00 0.00 O ATOM 166 CB SER A 28 28.745 -5.890 8.929 1.00 0.00 C ATOM 167 OG SER A 28 30.147 -5.699 9.126 1.00 0.00 O ATOM 0 H SER A 28 26.437 -6.273 8.204 1.00 0.00 H new ATOM 0 HA SER A 28 28.754 -6.056 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.250 -4.919 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.344 -6.463 9.766 1.00 0.00 H new ATOM 0 HG SER A 28 30.298 -5.234 9.976 1.00 0.00 H new ATOM 173 N GLY A 29 28.483 -9.009 8.214 1.00 0.00 N ATOM 174 CA GLY A 29 29.039 -10.358 8.238 1.00 0.00 C ATOM 175 C GLY A 29 28.584 -11.220 7.084 1.00 0.00 C ATOM 176 O GLY A 29 28.796 -12.429 7.094 1.00 0.00 O ATOM 0 H GLY A 29 27.591 -8.925 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.127 -10.294 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.759 -10.841 9.174 1.00 0.00 H new ATOM 180 N GLN A 30 27.901 -10.632 6.078 1.00 0.00 N ATOM 181 CA GLN A 30 27.467 -11.330 4.877 1.00 0.00 C ATOM 182 C GLN A 30 28.109 -10.731 3.633 1.00 0.00 C ATOM 183 O GLN A 30 28.545 -11.463 2.749 1.00 0.00 O ATOM 184 CB GLN A 30 25.923 -11.273 4.735 1.00 0.00 C ATOM 185 CG GLN A 30 25.140 -12.001 5.858 1.00 0.00 C ATOM 186 CD GLN A 30 25.317 -13.526 5.830 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.501 -14.233 5.234 1.00 0.00 O ATOM 188 NE2 GLN A 30 26.378 -14.050 6.498 1.00 0.00 N ATOM 0 H GLN A 30 27.639 -9.646 6.090 1.00 0.00 H new ATOM 0 HA GLN A 30 27.781 -12.369 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.612 -10.228 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.644 -11.709 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.469 -11.622 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.080 -11.763 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 30 27.032 -13.433 6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.520 -15.060 6.518 1.00 0.00 H new ATOM 197 N ASN A 31 28.162 -9.377 3.543 1.00 0.00 N ATOM 198 CA ASN A 31 28.779 -8.582 2.484 1.00 0.00 C ATOM 199 C ASN A 31 28.272 -8.873 1.071 1.00 0.00 C ATOM 200 O ASN A 31 29.027 -8.826 0.103 1.00 0.00 O ATOM 201 CB ASN A 31 30.336 -8.697 2.484 1.00 0.00 C ATOM 202 CG ASN A 31 30.998 -8.221 3.782 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.923 -8.875 4.270 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.547 -7.068 4.342 1.00 0.00 N ATOM 0 H ASN A 31 27.744 -8.786 4.262 1.00 0.00 H new ATOM 0 HA ASN A 31 28.473 -7.566 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.613 -9.736 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.733 -8.115 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.976 -6.714 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.779 -6.556 3.907 1.00 0.00 H new ATOM 211 N GLU A 32 26.956 -9.131 0.907 1.00 0.00 N ATOM 212 CA GLU A 32 26.379 -9.443 -0.388 1.00 0.00 C ATOM 213 C GLU A 32 26.004 -8.170 -1.133 1.00 0.00 C ATOM 214 O GLU A 32 25.045 -7.488 -0.779 1.00 0.00 O ATOM 215 CB GLU A 32 25.117 -10.334 -0.222 1.00 0.00 C ATOM 216 CG GLU A 32 25.388 -11.747 0.367 1.00 0.00 C ATOM 217 CD GLU A 32 26.041 -12.725 -0.617 1.00 0.00 C ATOM 218 OE1 GLU A 32 27.190 -12.468 -1.056 1.00 0.00 O ATOM 219 OE2 GLU A 32 25.379 -13.750 -0.928 1.00 0.00 O ATOM 0 H GLU A 32 26.281 -9.125 1.672 1.00 0.00 H new ATOM 0 HA GLU A 32 27.128 -9.985 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.407 -9.817 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.639 -10.447 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.031 -11.646 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.445 -12.171 0.711 1.00 0.00 H new ATOM 226 N CYS A 33 26.764 -7.838 -2.199 1.00 0.00 N ATOM 227 CA CYS A 33 26.507 -6.722 -3.090 1.00 0.00 C ATOM 228 C CYS A 33 26.672 -7.201 -4.521 1.00 0.00 C ATOM 229 O CYS A 33 27.357 -8.206 -4.725 1.00 0.00 O ATOM 230 CB CYS A 33 27.467 -5.525 -2.841 1.00 0.00 C ATOM 231 SG CYS A 33 27.247 -4.765 -1.205 1.00 0.00 S ATOM 0 H CYS A 33 27.597 -8.367 -2.458 1.00 0.00 H new ATOM 0 HA CYS A 33 25.493 -6.369 -2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.497 -5.866 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.305 -4.770 -3.611 1.00 0.00 H new ATOM 236 N PRO A 34 26.095 -6.563 -5.546 1.00 0.00 N ATOM 237 CA PRO A 34 26.420 -6.848 -6.942 1.00 0.00 C ATOM 238 C PRO A 34 27.822 -6.368 -7.290 1.00 0.00 C ATOM 239 O PRO A 34 28.399 -5.558 -6.565 1.00 0.00 O ATOM 240 CB PRO A 34 25.345 -6.075 -7.727 1.00 0.00 C ATOM 241 CG PRO A 34 24.999 -4.891 -6.821 1.00 0.00 C ATOM 242 CD PRO A 34 25.078 -5.512 -5.428 1.00 0.00 C ATOM 0 HA PRO A 34 26.420 -7.914 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.721 -5.740 -8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.471 -6.696 -7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.704 -4.068 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.007 -4.493 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.359 -4.771 -4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.116 -5.924 -5.123 1.00 0.00 H new ATOM 250 N GLU A 35 28.412 -6.886 -8.392 1.00 0.00 N ATOM 251 CA GLU A 35 29.785 -6.587 -8.762 1.00 0.00 C ATOM 252 C GLU A 35 29.993 -5.116 -9.100 1.00 0.00 C ATOM 253 O GLU A 35 29.201 -4.499 -9.809 1.00 0.00 O ATOM 254 CB GLU A 35 30.258 -7.446 -9.965 1.00 0.00 C ATOM 255 CG GLU A 35 30.333 -8.961 -9.651 1.00 0.00 C ATOM 256 CD GLU A 35 30.818 -9.774 -10.854 1.00 0.00 C ATOM 257 OE1 GLU A 35 31.986 -9.563 -11.271 1.00 0.00 O ATOM 258 OE2 GLU A 35 30.025 -10.614 -11.351 1.00 0.00 O ATOM 0 H GLU A 35 27.939 -7.519 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 35 30.381 -6.831 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 29.578 -7.290 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.241 -7.100 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.006 -9.124 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 35 29.349 -9.317 -9.346 1.00 0.00 H new ATOM 265 N GLY A 36 31.088 -4.524 -8.567 1.00 0.00 N ATOM 266 CA GLY A 36 31.373 -3.101 -8.692 1.00 0.00 C ATOM 267 C GLY A 36 30.902 -2.299 -7.506 1.00 0.00 C ATOM 268 O GLY A 36 31.257 -1.131 -7.374 1.00 0.00 O ATOM 0 H GLY A 36 31.794 -5.036 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.447 -2.961 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 30.896 -2.719 -9.595 1.00 0.00 H new ATOM 272 N CYS A 37 30.100 -2.908 -6.606 1.00 0.00 N ATOM 273 CA CYS A 37 29.568 -2.253 -5.427 1.00 0.00 C ATOM 274 C CYS A 37 30.147 -2.907 -4.184 1.00 0.00 C ATOM 275 O CYS A 37 30.551 -4.068 -4.207 1.00 0.00 O ATOM 276 CB CYS A 37 28.019 -2.326 -5.378 1.00 0.00 C ATOM 277 SG CYS A 37 27.261 -1.532 -6.831 1.00 0.00 S ATOM 0 H CYS A 37 29.809 -3.882 -6.694 1.00 0.00 H new ATOM 0 HA CYS A 37 29.851 -1.201 -5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.705 -3.369 -5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.660 -1.841 -4.470 1.00 0.00 H new ATOM 282 N PHE A 38 30.213 -2.165 -3.057 1.00 0.00 N ATOM 283 CA PHE A 38 30.760 -2.673 -1.807 1.00 0.00 C ATOM 284 C PHE A 38 29.784 -2.354 -0.688 1.00 0.00 C ATOM 285 O PHE A 38 28.924 -1.485 -0.827 1.00 0.00 O ATOM 286 CB PHE A 38 32.177 -2.091 -1.477 1.00 0.00 C ATOM 287 CG PHE A 38 32.162 -0.608 -1.187 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.126 0.323 -2.232 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.128 -0.144 0.142 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.985 1.687 -1.960 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.007 1.224 0.418 1.00 0.00 C ATOM 292 CZ PHE A 38 31.923 2.143 -0.636 1.00 0.00 C ATOM 0 H PHE A 38 29.886 -1.200 -3.002 1.00 0.00 H new ATOM 0 HA PHE A 38 30.892 -3.750 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.587 -2.618 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.845 -2.283 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.208 -0.015 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.196 -0.850 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.923 2.393 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.979 1.569 1.441 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.811 3.197 -0.430 1.00 0.00 H new ATOM 302 N CYS A 39 29.888 -3.070 0.455 1.00 0.00 N ATOM 303 CA CYS A 39 28.964 -2.925 1.566 1.00 0.00 C ATOM 304 C CYS A 39 29.466 -1.847 2.512 1.00 0.00 C ATOM 305 O CYS A 39 30.558 -1.952 3.071 1.00 0.00 O ATOM 306 CB CYS A 39 28.811 -4.276 2.319 1.00 0.00 C ATOM 307 SG CYS A 39 27.606 -4.275 3.688 1.00 0.00 S ATOM 0 H CYS A 39 30.621 -3.761 0.617 1.00 0.00 H new ATOM 0 HA CYS A 39 27.987 -2.633 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.519 -5.042 1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.785 -4.565 2.715 1.00 0.00 H new ATOM 312 N GLY A 40 28.673 -0.771 2.721 1.00 0.00 N ATOM 313 CA GLY A 40 29.093 0.364 3.532 1.00 0.00 C ATOM 314 C GLY A 40 28.740 0.239 4.989 1.00 0.00 C ATOM 315 O GLY A 40 27.958 1.040 5.494 1.00 0.00 O ATOM 0 H GLY A 40 27.735 -0.678 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.172 0.484 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.636 1.270 3.134 1.00 0.00 H new ATOM 319 N LEU A 41 29.300 -0.758 5.711 1.00 0.00 N ATOM 320 CA LEU A 41 29.044 -0.899 7.136 1.00 0.00 C ATOM 321 C LEU A 41 30.364 -1.115 7.839 1.00 0.00 C ATOM 322 O LEU A 41 31.186 -1.916 7.396 1.00 0.00 O ATOM 323 CB LEU A 41 28.106 -2.087 7.433 1.00 0.00 C ATOM 324 CG LEU A 41 27.437 -2.116 8.832 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.341 -2.447 10.020 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.656 -0.824 9.110 1.00 0.00 C ATOM 0 H LEU A 41 29.925 -1.464 5.321 1.00 0.00 H new ATOM 0 HA LEU A 41 28.554 0.007 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.318 -2.095 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 41 28.675 -3.008 7.309 1.00 0.00 H new ATOM 0 HG LEU A 41 26.759 -2.966 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.754 -2.435 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.777 -3.436 9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.137 -1.706 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.201 -0.880 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.335 0.027 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 41 25.877 -0.701 8.358 1.00 0.00 H new ATOM 338 N LEU A 42 30.613 -0.382 8.947 1.00 0.00 N ATOM 339 CA LEU A 42 31.879 -0.426 9.643 1.00 0.00 C ATOM 340 C LEU A 42 31.651 -0.994 11.035 1.00 0.00 C ATOM 341 O LEU A 42 30.728 -0.584 11.741 1.00 0.00 O ATOM 342 CB LEU A 42 32.509 0.980 9.800 1.00 0.00 C ATOM 343 CG LEU A 42 32.758 1.758 8.481 1.00 0.00 C ATOM 344 CD1 LEU A 42 33.357 0.895 7.354 1.00 0.00 C ATOM 345 CD2 LEU A 42 31.487 2.499 8.014 1.00 0.00 C ATOM 0 H LEU A 42 29.931 0.249 9.368 1.00 0.00 H new ATOM 0 HA LEU A 42 32.558 -1.045 9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.859 1.580 10.437 1.00 0.00 H new ATOM 0 HB3 LEU A 42 33.459 0.875 10.323 1.00 0.00 H new ATOM 0 HG LEU A 42 33.519 2.502 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 33.503 1.508 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.316 0.490 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 42 32.677 0.076 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 31.697 3.033 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 30.687 1.778 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 42 31.178 3.210 8.781 1.00 0.00 H new ATOM 357 N GLY A 43 32.498 -1.957 11.476 1.00 0.00 N ATOM 358 CA GLY A 43 32.576 -2.380 12.875 1.00 0.00 C ATOM 359 C GLY A 43 31.480 -3.300 13.347 1.00 0.00 C ATOM 360 O GLY A 43 31.401 -3.601 14.534 1.00 0.00 O ATOM 0 H GLY A 43 33.142 -2.456 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.533 -2.877 13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.573 -1.490 13.504 1.00 0.00 H new ATOM 364 N GLN A 44 30.605 -3.745 12.422 1.00 0.00 N ATOM 365 CA GLN A 44 29.397 -4.523 12.655 1.00 0.00 C ATOM 366 C GLN A 44 28.412 -3.858 13.624 1.00 0.00 C ATOM 367 O GLN A 44 27.773 -4.489 14.462 1.00 0.00 O ATOM 368 CB GLN A 44 29.760 -5.982 13.065 1.00 0.00 C ATOM 369 CG GLN A 44 28.599 -7.000 12.937 1.00 0.00 C ATOM 370 CD GLN A 44 29.067 -8.439 13.168 1.00 0.00 C ATOM 371 OE1 GLN A 44 29.043 -9.261 12.248 1.00 0.00 O ATOM 372 NE2 GLN A 44 29.489 -8.753 14.419 1.00 0.00 N ATOM 0 H GLN A 44 30.744 -3.551 11.430 1.00 0.00 H new ATOM 0 HA GLN A 44 28.856 -4.564 11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.592 -6.322 12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.109 -5.978 14.098 1.00 0.00 H new ATOM 0 HG2 GLN A 44 27.819 -6.753 13.658 1.00 0.00 H new ATOM 0 HG3 GLN A 44 28.154 -6.919 11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 44 29.492 -8.041 15.150 1.00 0.00 H new ATOM 0 HE22 GLN A 44 29.803 -9.701 14.628 1.00 0.00 H new ATOM 381 N ASN A 45 28.249 -2.519 13.496 1.00 0.00 N ATOM 382 CA ASN A 45 27.247 -1.754 14.226 1.00 0.00 C ATOM 383 C ASN A 45 25.807 -2.053 13.828 1.00 0.00 C ATOM 384 O ASN A 45 24.945 -2.230 14.684 1.00 0.00 O ATOM 385 CB ASN A 45 27.486 -0.228 14.049 1.00 0.00 C ATOM 386 CG ASN A 45 28.685 0.223 14.886 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.566 0.364 16.105 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.858 0.460 14.246 1.00 0.00 N ATOM 0 H ASN A 45 28.822 -1.948 12.874 1.00 0.00 H new ATOM 0 HA ASN A 45 27.370 -2.062 15.264 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.662 -0.000 12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.596 0.324 14.350 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.675 0.765 14.775 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.922 0.334 13.236 1.00 0.00 H new ATOM 395 N LYS A 46 25.517 -2.101 12.509 1.00 0.00 N ATOM 396 CA LYS A 46 24.178 -2.331 11.995 1.00 0.00 C ATOM 397 C LYS A 46 24.255 -3.267 10.793 1.00 0.00 C ATOM 398 O LYS A 46 24.941 -4.287 10.811 1.00 0.00 O ATOM 399 CB LYS A 46 23.476 -0.988 11.615 1.00 0.00 C ATOM 400 CG LYS A 46 23.246 -0.036 12.803 1.00 0.00 C ATOM 401 CD LYS A 46 22.609 1.295 12.378 1.00 0.00 C ATOM 402 CE LYS A 46 22.310 2.219 13.557 1.00 0.00 C ATOM 403 NZ LYS A 46 21.642 3.438 13.065 1.00 0.00 N ATOM 0 H LYS A 46 26.219 -1.979 11.780 1.00 0.00 H new ATOM 0 HA LYS A 46 23.576 -2.797 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 46 24.079 -0.476 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.515 -1.212 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.604 -0.524 13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.198 0.162 13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.277 1.806 11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.684 1.092 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.674 1.709 14.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.234 2.480 14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.437 4.069 13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.264 3.926 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.753 3.180 12.592 1.00 0.00 H new ATOM 417 N LYS A 47 23.548 -2.915 9.697 1.00 0.00 N ATOM 418 CA LYS A 47 23.467 -3.676 8.468 1.00 0.00 C ATOM 419 C LYS A 47 24.316 -3.104 7.346 1.00 0.00 C ATOM 420 O LYS A 47 25.198 -3.790 6.833 1.00 0.00 O ATOM 421 CB LYS A 47 21.984 -3.805 8.013 1.00 0.00 C ATOM 422 CG LYS A 47 21.136 -2.522 8.127 1.00 0.00 C ATOM 423 CD LYS A 47 19.926 -2.505 7.179 1.00 0.00 C ATOM 424 CE LYS A 47 18.940 -1.375 7.482 1.00 0.00 C ATOM 425 NZ LYS A 47 18.118 -1.732 8.654 1.00 0.00 N ATOM 0 H LYS A 47 23.002 -2.054 9.661 1.00 0.00 H new ATOM 0 HA LYS A 47 23.874 -4.663 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.969 -4.137 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.508 -4.587 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.786 -2.417 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.766 -1.658 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.278 -2.406 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.406 -3.460 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.482 -0.449 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.300 -1.196 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.139 -1.415 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.132 -2.763 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.503 -1.269 9.502 1.00 0.00 H new ATOM 439 N GLY A 48 24.112 -1.823 6.965 1.00 0.00 N ATOM 440 CA GLY A 48 24.737 -1.225 5.801 1.00 0.00 C ATOM 441 C GLY A 48 23.850 -1.311 4.599 1.00 0.00 C ATOM 442 O GLY A 48 22.763 -1.886 4.612 1.00 0.00 O ATOM 0 H GLY A 48 23.501 -1.183 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.971 -0.181 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.682 -1.728 5.595 1.00 0.00 H new ATOM 446 N HIS A 49 24.315 -0.708 3.500 1.00 0.00 N ATOM 447 CA HIS A 49 23.620 -0.737 2.243 1.00 0.00 C ATOM 448 C HIS A 49 24.752 -0.683 1.235 1.00 0.00 C ATOM 449 O HIS A 49 25.844 -0.215 1.571 1.00 0.00 O ATOM 450 CB HIS A 49 22.650 0.468 2.128 1.00 0.00 C ATOM 451 CG HIS A 49 21.619 0.344 1.042 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.578 -0.552 1.221 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.468 1.018 -0.127 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.821 -0.403 0.154 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.310 0.533 -0.696 1.00 0.00 N ATOM 0 H HIS A 49 25.192 -0.187 3.475 1.00 0.00 H new ATOM 0 HA HIS A 49 22.985 -1.611 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.139 0.598 3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.234 1.372 1.954 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.430 -1.187 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.121 1.778 -0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 49 18.914 -0.962 -0.024 1.00 0.00 H new ATOM 463 N CYS A 50 24.573 -1.225 0.010 1.00 0.00 N ATOM 464 CA CYS A 50 25.665 -1.295 -0.954 1.00 0.00 C ATOM 465 C CYS A 50 25.857 0.018 -1.705 1.00 0.00 C ATOM 466 O CYS A 50 24.889 0.624 -2.174 1.00 0.00 O ATOM 467 CB CYS A 50 25.450 -2.412 -2.003 1.00 0.00 C ATOM 468 SG CYS A 50 25.341 -4.066 -1.255 1.00 0.00 S ATOM 0 H CYS A 50 23.689 -1.613 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 50 26.553 -1.513 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.536 -2.209 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.271 -2.395 -2.719 1.00 0.00 H new ATOM 473 N TYR A 51 27.125 0.476 -1.856 1.00 0.00 N ATOM 474 CA TYR A 51 27.436 1.739 -2.517 1.00 0.00 C ATOM 475 C TYR A 51 28.400 1.458 -3.652 1.00 0.00 C ATOM 476 O TYR A 51 29.102 0.446 -3.658 1.00 0.00 O ATOM 477 CB TYR A 51 28.200 2.810 -1.682 1.00 0.00 C ATOM 478 CG TYR A 51 27.596 3.198 -0.361 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.222 3.153 -0.058 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.490 3.653 0.621 1.00 0.00 C ATOM 481 CE1 TYR A 51 25.768 3.500 1.225 1.00 0.00 C ATOM 482 CE2 TYR A 51 28.042 4.001 1.899 1.00 0.00 C ATOM 483 CZ TYR A 51 26.677 3.916 2.205 1.00 0.00 C ATOM 484 OH TYR A 51 26.210 4.247 3.493 1.00 0.00 O ATOM 0 H TYR A 51 27.946 -0.027 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 51 26.452 2.131 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.209 2.441 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.295 3.710 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.514 2.850 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.541 3.736 0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 51 24.714 3.446 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 51 28.745 4.334 2.648 1.00 0.00 H new ATOM 0 HH TYR A 51 26.966 4.515 4.056 1.00 0.00 H new ATOM 494 N LYS A 52 28.488 2.404 -4.611 1.00 0.00 N ATOM 495 CA LYS A 52 29.606 2.504 -5.528 1.00 0.00 C ATOM 496 C LYS A 52 30.258 3.870 -5.392 1.00 0.00 C ATOM 497 O LYS A 52 29.618 4.860 -5.032 1.00 0.00 O ATOM 498 CB LYS A 52 29.191 2.253 -7.004 1.00 0.00 C ATOM 499 CG LYS A 52 28.126 3.224 -7.542 1.00 0.00 C ATOM 500 CD LYS A 52 27.823 3.029 -9.037 1.00 0.00 C ATOM 501 CE LYS A 52 26.566 3.722 -9.575 1.00 0.00 C ATOM 502 NZ LYS A 52 25.343 3.190 -8.944 1.00 0.00 N ATOM 0 H LYS A 52 27.773 3.116 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 52 30.318 1.723 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 30.078 2.321 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.814 1.234 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.206 3.095 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 52 28.462 4.248 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.680 3.385 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.733 1.960 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.634 4.794 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.508 3.586 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.507 3.567 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.343 2.152 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.316 3.475 -7.944 1.00 0.00 H new ATOM 516 N ILE A 53 31.581 3.934 -5.670 1.00 0.00 N ATOM 517 CA ILE A 53 32.371 5.154 -5.674 1.00 0.00 C ATOM 518 C ILE A 53 32.854 5.449 -7.068 1.00 0.00 C ATOM 519 O ILE A 53 33.392 4.595 -7.771 1.00 0.00 O ATOM 520 CB ILE A 53 33.536 5.155 -4.680 1.00 0.00 C ATOM 521 CG1 ILE A 53 32.982 5.138 -3.235 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.536 6.314 -4.929 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.062 5.019 -2.160 1.00 0.00 C ATOM 0 H ILE A 53 32.129 3.106 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 53 31.706 5.948 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 53 34.120 4.248 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 53 32.412 6.051 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.287 4.304 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.340 6.265 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.954 6.225 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.018 7.268 -4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.596 5.014 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.618 4.092 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 53 34.744 5.866 -2.234 1.00 0.00 H new ATOM 535 N ILE A 54 32.632 6.709 -7.482 1.00 0.00 N ATOM 536 CA ILE A 54 33.013 7.277 -8.746 1.00 0.00 C ATOM 537 C ILE A 54 33.806 8.543 -8.500 1.00 0.00 C ATOM 538 O ILE A 54 33.514 9.322 -7.591 1.00 0.00 O ATOM 539 CB ILE A 54 31.811 7.526 -9.653 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.673 8.321 -8.950 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.354 6.199 -10.297 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.628 7.472 -8.197 1.00 0.00 C ATOM 0 H ILE A 54 32.149 7.385 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 54 33.640 6.561 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 54 32.120 8.186 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.125 9.018 -8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.156 8.919 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.496 6.385 -10.943 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.169 5.782 -10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.074 5.493 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.883 8.128 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.139 6.793 -8.896 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.123 6.894 -7.416 1.00 0.00 H new ATOM 554 N GLY A 55 34.867 8.762 -9.306 1.00 0.00 N ATOM 555 CA GLY A 55 35.816 9.835 -9.089 1.00 0.00 C ATOM 556 C GLY A 55 37.179 9.298 -9.400 1.00 0.00 C ATOM 557 O GLY A 55 37.353 8.532 -10.343 1.00 0.00 O ATOM 0 H GLY A 55 35.075 8.189 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.584 10.687 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.768 10.187 -8.058 1.00 0.00 H new ATOM 561 N ASN A 56 38.192 9.680 -8.597 1.00 0.00 N ATOM 562 CA ASN A 56 39.575 9.249 -8.778 1.00 0.00 C ATOM 563 C ASN A 56 39.778 7.705 -8.637 1.00 0.00 C ATOM 564 O ASN A 56 39.415 7.159 -7.561 1.00 0.00 O ATOM 565 CB ASN A 56 40.506 9.964 -7.756 1.00 0.00 C ATOM 566 CG ASN A 56 40.562 11.464 -8.052 1.00 0.00 C ATOM 567 OD1 ASN A 56 40.733 11.874 -9.200 1.00 0.00 O ATOM 568 ND2 ASN A 56 40.409 12.305 -6.996 1.00 0.00 N ATOM 569 OXT ASN A 56 40.335 7.091 -9.585 1.00 0.00 O ATOM 0 H ASN A 56 38.062 10.303 -7.799 1.00 0.00 H new ATOM 0 HA ASN A 56 39.833 9.523 -9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.140 9.799 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 56 41.508 9.538 -7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 56 40.434 13.314 -7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 56 40.269 11.927 -6.059 1.00 0.00 H new TER 576 ASN A 56