USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 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 28 SER OG : rot -73:sc= 1.21 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.737 K(o=1.9,f=-3.4!) USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.676 (180deg=0.00234) USER MOD Single : A 1 SER OG : rot 180:sc= 0.222 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 8 ASN : amide:sc= -0.0582 K(o=-0.058,f=-0.68) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0797 USER MOD Single : A 11 SER OG : rot -13:sc= 0.737 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.994) USER MOD Single : A 18 TYR OH : rot -148:sc= 1.24 USER MOD Single : A 21 GLN : amide:sc= 0.602 K(o=0.6,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.12 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.15 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0903 USER MOD Single : A 38 SER OG : rot -160:sc= -1.31! USER MOD Single : A 39 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -122:sc= 1.34 (180deg=-1.31) USER MOD Single : A 52 THR OG1 : rot -155:sc= 1.3 USER MOD Single : A 53 ASN : amide:sc= 1.13 K(o=1.1,f=-0.041) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 56 ASN : amide:sc= 0.0464 X(o=0.046,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.144 USER MOD Single : A 65 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.253 6.899 5.895 1.00 0.00 N ATOM 2 CA SER A 1 15.728 6.595 4.534 1.00 0.00 C ATOM 3 C SER A 1 14.606 6.807 3.526 1.00 0.00 C ATOM 4 O SER A 1 13.442 6.967 3.905 1.00 0.00 O ATOM 5 CB SER A 1 16.229 5.154 4.485 1.00 0.00 C ATOM 6 OG SER A 1 16.302 4.605 5.792 1.00 0.00 O ATOM 0 H1 SER A 1 15.665 7.799 6.213 1.00 0.00 H new ATOM 0 H2 SER A 1 14.216 6.975 5.892 1.00 0.00 H new ATOM 0 H3 SER A 1 15.543 6.138 6.542 1.00 0.00 H new ATOM 0 HA SER A 1 16.547 7.266 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.561 4.552 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.212 5.121 4.016 1.00 0.00 H new ATOM 0 HG SER A 1 16.623 3.681 5.741 1.00 0.00 H new ATOM 14 N ALA A 2 14.954 6.823 2.246 1.00 0.00 N ATOM 15 CA ALA A 2 13.971 7.003 1.192 1.00 0.00 C ATOM 16 C ALA A 2 13.796 5.716 0.397 1.00 0.00 C ATOM 17 O ALA A 2 14.734 5.232 -0.241 1.00 0.00 O ATOM 18 CB ALA A 2 14.379 8.145 0.273 1.00 0.00 C ATOM 0 H ALA A 2 15.912 6.713 1.915 1.00 0.00 H new ATOM 0 HA ALA A 2 13.016 7.255 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.631 8.266 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.453 9.067 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.345 7.921 -0.179 1.00 0.00 H new ATOM 24 N THR A 3 12.599 5.155 0.449 1.00 0.00 N ATOM 25 CA THR A 3 12.299 3.933 -0.278 1.00 0.00 C ATOM 26 C THR A 3 11.615 4.242 -1.605 1.00 0.00 C ATOM 27 O THR A 3 10.653 5.011 -1.653 1.00 0.00 O ATOM 28 CB THR A 3 11.405 2.996 0.557 1.00 0.00 C ATOM 29 OG1 THR A 3 11.600 3.254 1.954 1.00 0.00 O ATOM 30 CG2 THR A 3 11.725 1.539 0.260 1.00 0.00 C ATOM 0 H THR A 3 11.818 5.528 0.989 1.00 0.00 H new ATOM 0 HA THR A 3 13.246 3.431 -0.476 1.00 0.00 H new ATOM 0 HB THR A 3 10.365 3.187 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.028 2.657 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.082 0.896 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.554 1.337 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.768 1.339 0.504 1.00 0.00 H new ATOM 38 N THR A 4 12.131 3.660 -2.677 1.00 0.00 N ATOM 39 CA THR A 4 11.559 3.841 -4.000 1.00 0.00 C ATOM 40 C THR A 4 10.476 2.796 -4.250 1.00 0.00 C ATOM 41 O THR A 4 10.728 1.594 -4.166 1.00 0.00 O ATOM 42 CB THR A 4 12.648 3.735 -5.082 1.00 0.00 C ATOM 43 OG1 THR A 4 13.949 3.818 -4.477 1.00 0.00 O ATOM 44 CG2 THR A 4 12.493 4.836 -6.121 1.00 0.00 C ATOM 0 H THR A 4 12.951 3.054 -2.654 1.00 0.00 H new ATOM 0 HA THR A 4 11.116 4.836 -4.049 1.00 0.00 H new ATOM 0 HB THR A 4 12.540 2.772 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.638 3.748 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.275 4.738 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.517 4.751 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.576 5.808 -5.636 1.00 0.00 H new ATOM 52 N ILE A 5 9.271 3.259 -4.545 1.00 0.00 N ATOM 53 CA ILE A 5 8.121 2.373 -4.668 1.00 0.00 C ATOM 54 C ILE A 5 7.885 1.942 -6.114 1.00 0.00 C ATOM 55 O ILE A 5 8.042 2.732 -7.045 1.00 0.00 O ATOM 56 CB ILE A 5 6.838 3.042 -4.132 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.099 3.683 -2.767 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.709 2.025 -4.039 1.00 0.00 C ATOM 59 CD1 ILE A 5 5.869 4.297 -2.138 1.00 0.00 C ATOM 0 H ILE A 5 9.063 4.245 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 5 8.349 1.491 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 5 6.539 3.826 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.503 2.928 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.863 4.453 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.811 2.512 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.508 1.613 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.999 1.221 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.132 4.731 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.476 5.076 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.111 3.527 -1.995 1.00 0.00 H new ATOM 71 N GLY A 6 7.519 0.679 -6.281 1.00 0.00 N ATOM 72 CA GLY A 6 7.153 0.158 -7.581 1.00 0.00 C ATOM 73 C GLY A 6 6.221 -1.030 -7.439 1.00 0.00 C ATOM 74 O GLY A 6 6.268 -1.721 -6.425 1.00 0.00 O ATOM 0 H GLY A 6 7.469 -0.004 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.669 0.938 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.050 -0.140 -8.125 1.00 0.00 H new ATOM 78 N PRO A 7 5.347 -1.289 -8.421 1.00 0.00 N ATOM 79 CA PRO A 7 4.404 -2.417 -8.373 1.00 0.00 C ATOM 80 C PRO A 7 5.088 -3.770 -8.584 1.00 0.00 C ATOM 81 O PRO A 7 4.613 -4.608 -9.350 1.00 0.00 O ATOM 82 CB PRO A 7 3.439 -2.118 -9.522 1.00 0.00 C ATOM 83 CG PRO A 7 4.242 -1.314 -10.484 1.00 0.00 C ATOM 84 CD PRO A 7 5.186 -0.492 -9.650 1.00 0.00 C ATOM 0 HA PRO A 7 3.921 -2.500 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.072 -3.036 -9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.567 -1.565 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.789 -1.960 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.600 -0.675 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.139 -0.339 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.777 0.495 -9.437 1.00 0.00 H new ATOM 92 N ASN A 8 6.201 -3.977 -7.900 1.00 0.00 N ATOM 93 CA ASN A 8 6.942 -5.223 -8.007 1.00 0.00 C ATOM 94 C ASN A 8 7.374 -5.711 -6.626 1.00 0.00 C ATOM 95 O ASN A 8 8.035 -6.741 -6.497 1.00 0.00 O ATOM 96 CB ASN A 8 8.166 -5.039 -8.911 1.00 0.00 C ATOM 97 CG ASN A 8 8.639 -6.342 -9.524 1.00 0.00 C ATOM 98 OD1 ASN A 8 7.839 -7.181 -9.938 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.947 -6.515 -9.595 1.00 0.00 N ATOM 0 H ASN A 8 6.613 -3.295 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 8 6.289 -5.974 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.923 -4.335 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.978 -4.598 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.327 -7.368 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.577 -5.795 -9.240 1.00 0.00 H new ATOM 106 N THR A 9 7.010 -4.958 -5.595 1.00 0.00 N ATOM 107 CA THR A 9 7.306 -5.350 -4.227 1.00 0.00 C ATOM 108 C THR A 9 6.421 -6.518 -3.810 1.00 0.00 C ATOM 109 O THR A 9 6.906 -7.566 -3.383 1.00 0.00 O ATOM 110 CB THR A 9 7.090 -4.164 -3.268 1.00 0.00 C ATOM 111 OG1 THR A 9 7.018 -2.945 -4.021 1.00 0.00 O ATOM 112 CG2 THR A 9 8.219 -4.073 -2.252 1.00 0.00 C ATOM 0 H THR A 9 6.510 -4.073 -5.683 1.00 0.00 H new ATOM 0 HA THR A 9 8.350 -5.658 -4.176 1.00 0.00 H new ATOM 0 HB THR A 9 6.156 -4.321 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.879 -2.191 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.043 -3.228 -1.587 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.258 -4.992 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.167 -3.934 -2.772 1.00 0.00 H new ATOM 120 N CYS A 10 5.121 -6.335 -3.962 1.00 0.00 N ATOM 121 CA CYS A 10 4.156 -7.377 -3.661 1.00 0.00 C ATOM 122 C CYS A 10 3.363 -7.706 -4.917 1.00 0.00 C ATOM 123 O CYS A 10 3.007 -6.806 -5.680 1.00 0.00 O ATOM 124 CB CYS A 10 3.225 -6.924 -2.537 1.00 0.00 C ATOM 125 SG CYS A 10 3.830 -5.471 -1.619 1.00 0.00 S ATOM 0 H CYS A 10 4.707 -5.465 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 10 4.679 -8.273 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.247 -6.694 -2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.085 -7.750 -1.840 1.00 0.00 H new ATOM 130 N SER A 11 3.097 -8.988 -5.138 1.00 0.00 N ATOM 131 CA SER A 11 2.474 -9.440 -6.376 1.00 0.00 C ATOM 132 C SER A 11 1.887 -10.834 -6.201 1.00 0.00 C ATOM 133 O SER A 11 1.511 -11.486 -7.174 1.00 0.00 O ATOM 134 CB SER A 11 3.495 -9.451 -7.521 1.00 0.00 C ATOM 135 OG SER A 11 3.977 -8.147 -7.799 1.00 0.00 O ATOM 0 H SER A 11 3.304 -9.734 -4.474 1.00 0.00 H new ATOM 0 HA SER A 11 1.672 -8.745 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.330 -10.101 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.035 -9.869 -8.416 1.00 0.00 H new ATOM 0 HG SER A 11 3.410 -7.486 -7.349 1.00 0.00 H new ATOM 141 N ILE A 12 1.795 -11.281 -4.953 1.00 0.00 N ATOM 142 CA ILE A 12 1.246 -12.597 -4.661 1.00 0.00 C ATOM 143 C ILE A 12 -0.268 -12.542 -4.736 1.00 0.00 C ATOM 144 O ILE A 12 -0.863 -12.841 -5.767 1.00 0.00 O ATOM 145 CB ILE A 12 1.654 -13.098 -3.258 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.852 -12.311 -2.717 1.00 0.00 C ATOM 147 CG2 ILE A 12 1.969 -14.581 -3.308 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.608 -11.696 -1.357 1.00 0.00 C ATOM 0 H ILE A 12 2.092 -10.753 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 12 1.647 -13.290 -5.401 1.00 0.00 H new ATOM 0 HB ILE A 12 0.817 -12.937 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.715 -12.974 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.106 -11.521 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.256 -14.926 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.088 -15.129 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.790 -14.755 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.498 -11.155 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.766 -11.007 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.384 -12.483 -0.637 1.00 0.00 H new ATOM 160 N ASP A 13 -0.885 -12.135 -3.641 1.00 0.00 N ATOM 161 CA ASP A 13 -2.316 -11.900 -3.623 1.00 0.00 C ATOM 162 C ASP A 13 -2.597 -10.503 -4.157 1.00 0.00 C ATOM 163 O ASP A 13 -1.802 -9.962 -4.931 1.00 0.00 O ATOM 164 CB ASP A 13 -2.854 -12.044 -2.200 1.00 0.00 C ATOM 165 CG ASP A 13 -4.313 -12.462 -2.169 1.00 0.00 C ATOM 166 OD1 ASP A 13 -4.582 -13.681 -2.185 1.00 0.00 O ATOM 167 OD2 ASP A 13 -5.191 -11.573 -2.139 1.00 0.00 O ATOM 0 H ASP A 13 -0.416 -11.960 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.816 -12.635 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.257 -12.781 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.740 -11.096 -1.674 1.00 0.00 H new ATOM 172 N ASP A 14 -3.696 -9.902 -3.731 1.00 0.00 N ATOM 173 CA ASP A 14 -3.989 -8.525 -4.099 1.00 0.00 C ATOM 174 C ASP A 14 -3.278 -7.580 -3.141 1.00 0.00 C ATOM 175 O ASP A 14 -3.869 -6.657 -2.577 1.00 0.00 O ATOM 176 CB ASP A 14 -5.499 -8.260 -4.098 1.00 0.00 C ATOM 177 CG ASP A 14 -5.853 -6.930 -4.739 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.515 -6.722 -5.923 1.00 0.00 O ATOM 179 OD2 ASP A 14 -6.470 -6.085 -4.058 1.00 0.00 O ATOM 0 H ASP A 14 -4.396 -10.342 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.626 -8.350 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.007 -9.064 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.867 -8.275 -3.072 1.00 0.00 H new ATOM 184 N TYR A 15 -2.001 -7.851 -2.933 1.00 0.00 N ATOM 185 CA TYR A 15 -1.168 -7.013 -2.099 1.00 0.00 C ATOM 186 C TYR A 15 -0.410 -6.035 -2.972 1.00 0.00 C ATOM 187 O TYR A 15 0.479 -6.425 -3.726 1.00 0.00 O ATOM 188 CB TYR A 15 -0.176 -7.852 -1.298 1.00 0.00 C ATOM 189 CG TYR A 15 -0.784 -8.594 -0.133 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.528 -7.929 0.834 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.610 -9.963 -0.003 1.00 0.00 C ATOM 192 CE1 TYR A 15 -2.074 -8.611 1.904 1.00 0.00 C ATOM 193 CE2 TYR A 15 -1.150 -10.651 1.061 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.887 -9.973 2.009 1.00 0.00 C ATOM 195 OH TYR A 15 -2.428 -10.660 3.072 1.00 0.00 O ATOM 0 H TYR A 15 -1.518 -8.654 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.808 -6.475 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.294 -8.573 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.614 -7.200 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.682 -6.863 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.041 -10.499 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.643 -8.081 2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.997 -11.716 1.152 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.204 -11.611 2.995 1.00 0.00 H new ATOM 205 N LYS A 16 -0.776 -4.776 -2.880 1.00 0.00 N ATOM 206 CA LYS A 16 -0.113 -3.733 -3.640 1.00 0.00 C ATOM 207 C LYS A 16 0.738 -2.893 -2.701 1.00 0.00 C ATOM 208 O LYS A 16 0.492 -2.884 -1.493 1.00 0.00 O ATOM 209 CB LYS A 16 -1.151 -2.868 -4.362 1.00 0.00 C ATOM 210 CG LYS A 16 -2.244 -3.681 -5.039 1.00 0.00 C ATOM 211 CD LYS A 16 -3.272 -2.792 -5.717 1.00 0.00 C ATOM 212 CE LYS A 16 -4.330 -2.323 -4.733 1.00 0.00 C ATOM 213 NZ LYS A 16 -5.543 -3.186 -4.755 1.00 0.00 N ATOM 0 H LYS A 16 -1.534 -4.445 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 16 0.534 -4.181 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.607 -2.185 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.647 -2.256 -5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.797 -4.347 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.739 -4.310 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.775 -1.928 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.747 -3.338 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.910 -2.316 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.612 -1.297 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.170 -2.924 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.045 -3.056 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.262 -4.182 -4.656 1.00 0.00 H new ATOM 227 N PRO A 17 1.766 -2.207 -3.225 1.00 0.00 N ATOM 228 CA PRO A 17 2.624 -1.344 -2.411 1.00 0.00 C ATOM 229 C PRO A 17 1.841 -0.187 -1.799 1.00 0.00 C ATOM 230 O PRO A 17 1.283 0.648 -2.510 1.00 0.00 O ATOM 231 CB PRO A 17 3.670 -0.826 -3.402 1.00 0.00 C ATOM 232 CG PRO A 17 3.036 -0.989 -4.741 1.00 0.00 C ATOM 233 CD PRO A 17 2.184 -2.221 -4.637 1.00 0.00 C ATOM 0 HA PRO A 17 3.062 -1.878 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.919 0.217 -3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.598 -1.394 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.435 -0.117 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.790 -1.098 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.330 -2.181 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.744 -3.123 -4.885 1.00 0.00 H new ATOM 241 N TYR A 18 1.791 -0.158 -0.483 1.00 0.00 N ATOM 242 CA TYR A 18 1.044 0.854 0.231 1.00 0.00 C ATOM 243 C TYR A 18 1.954 1.624 1.174 1.00 0.00 C ATOM 244 O TYR A 18 2.602 1.041 2.041 1.00 0.00 O ATOM 245 CB TYR A 18 -0.101 0.202 1.007 1.00 0.00 C ATOM 246 CG TYR A 18 -1.371 0.075 0.195 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.209 1.163 0.005 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.724 -1.133 -0.390 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.360 1.056 -0.748 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.870 -1.250 -1.152 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.691 -0.152 -1.323 1.00 0.00 C ATOM 252 OH TYR A 18 -4.833 -0.253 -2.089 1.00 0.00 O ATOM 0 H TYR A 18 2.265 -0.832 0.118 1.00 0.00 H new ATOM 0 HA TYR A 18 0.628 1.558 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.211 -0.788 1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.306 0.789 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.956 2.112 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.092 -1.997 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.999 1.915 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.123 -2.194 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.205 -1.156 -2.005 1.00 0.00 H new ATOM 262 N CYS A 19 2.006 2.932 0.992 1.00 0.00 N ATOM 263 CA CYS A 19 2.813 3.794 1.842 1.00 0.00 C ATOM 264 C CYS A 19 1.999 4.232 3.050 1.00 0.00 C ATOM 265 O CYS A 19 1.159 5.129 2.958 1.00 0.00 O ATOM 266 CB CYS A 19 3.310 5.018 1.066 1.00 0.00 C ATOM 267 SG CYS A 19 4.789 5.805 1.789 1.00 0.00 S ATOM 0 H CYS A 19 1.496 3.424 0.259 1.00 0.00 H new ATOM 0 HA CYS A 19 3.684 3.232 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.534 4.720 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.507 5.754 1.016 1.00 0.00 H new ATOM 272 N CYS A 20 2.241 3.581 4.173 1.00 0.00 N ATOM 273 CA CYS A 20 1.493 3.838 5.386 1.00 0.00 C ATOM 274 C CYS A 20 2.295 4.701 6.344 1.00 0.00 C ATOM 275 O CYS A 20 3.488 4.482 6.543 1.00 0.00 O ATOM 276 CB CYS A 20 1.113 2.519 6.051 1.00 0.00 C ATOM 277 SG CYS A 20 -0.556 2.526 6.763 1.00 0.00 S ATOM 0 H CYS A 20 2.959 2.863 4.268 1.00 0.00 H new ATOM 0 HA CYS A 20 0.584 4.379 5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.183 1.717 5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.834 2.296 6.837 1.00 0.00 H new ATOM 282 N GLN A 21 1.636 5.692 6.925 1.00 0.00 N ATOM 283 CA GLN A 21 2.294 6.619 7.831 1.00 0.00 C ATOM 284 C GLN A 21 1.832 6.379 9.262 1.00 0.00 C ATOM 285 O GLN A 21 1.327 5.301 9.584 1.00 0.00 O ATOM 286 CB GLN A 21 2.009 8.065 7.415 1.00 0.00 C ATOM 287 CG GLN A 21 1.914 8.265 5.910 1.00 0.00 C ATOM 288 CD GLN A 21 0.808 9.224 5.522 1.00 0.00 C ATOM 289 OE1 GLN A 21 0.979 10.443 5.577 1.00 0.00 O ATOM 290 NE2 GLN A 21 -0.334 8.687 5.120 1.00 0.00 N ATOM 0 H GLN A 21 0.642 5.875 6.784 1.00 0.00 H new ATOM 0 HA GLN A 21 3.369 6.449 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.075 8.388 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.796 8.708 7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.866 8.642 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.741 7.302 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.437 7.673 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.110 9.288 4.842 1.00 0.00 H new ATOM 299 N SER A 22 2.002 7.380 10.114 1.00 0.00 N ATOM 300 CA SER A 22 1.615 7.277 11.512 1.00 0.00 C ATOM 301 C SER A 22 0.106 7.084 11.653 1.00 0.00 C ATOM 302 O SER A 22 -0.682 7.609 10.861 1.00 0.00 O ATOM 303 CB SER A 22 2.058 8.535 12.254 1.00 0.00 C ATOM 304 OG SER A 22 2.805 9.389 11.399 1.00 0.00 O ATOM 0 H SER A 22 2.409 8.279 9.858 1.00 0.00 H new ATOM 0 HA SER A 22 2.104 6.405 11.946 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.184 9.066 12.633 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.662 8.259 13.118 1.00 0.00 H new ATOM 0 HG SER A 22 3.078 10.190 11.894 1.00 0.00 H new ATOM 310 N MET A 23 -0.289 6.318 12.660 1.00 0.00 N ATOM 311 CA MET A 23 -1.696 6.074 12.937 1.00 0.00 C ATOM 312 C MET A 23 -2.298 7.261 13.680 1.00 0.00 C ATOM 313 O MET A 23 -1.593 7.982 14.393 1.00 0.00 O ATOM 314 CB MET A 23 -1.873 4.788 13.755 1.00 0.00 C ATOM 315 CG MET A 23 -1.039 4.741 15.029 1.00 0.00 C ATOM 316 SD MET A 23 0.688 4.318 14.713 1.00 0.00 S ATOM 317 CE MET A 23 1.318 4.188 16.383 1.00 0.00 C ATOM 0 H MET A 23 0.351 5.852 13.303 1.00 0.00 H new ATOM 0 HA MET A 23 -2.218 5.950 11.988 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.925 4.680 14.018 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.611 3.934 13.130 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.087 5.710 15.526 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.469 4.010 15.714 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.377 3.931 16.353 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.190 5.142 16.895 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.771 3.412 16.919 1.00 0.00 H new ATOM 327 N SER A 24 -3.597 7.460 13.504 1.00 0.00 N ATOM 328 CA SER A 24 -4.302 8.575 14.121 1.00 0.00 C ATOM 329 C SER A 24 -4.342 8.417 15.636 1.00 0.00 C ATOM 330 O SER A 24 -4.367 9.398 16.379 1.00 0.00 O ATOM 331 CB SER A 24 -5.718 8.642 13.558 1.00 0.00 C ATOM 332 OG SER A 24 -6.009 7.475 12.800 1.00 0.00 O ATOM 0 H SER A 24 -4.189 6.857 12.933 1.00 0.00 H new ATOM 0 HA SER A 24 -3.774 9.501 13.895 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.435 8.742 14.373 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.824 9.526 12.930 1.00 0.00 H new ATOM 0 HG SER A 24 -6.922 7.533 12.447 1.00 0.00 H new ATOM 338 N GLY A 25 -4.345 7.170 16.073 1.00 0.00 N ATOM 339 CA GLY A 25 -4.381 6.862 17.483 1.00 0.00 C ATOM 340 C GLY A 25 -4.707 5.405 17.695 1.00 0.00 C ATOM 341 O GLY A 25 -3.946 4.671 18.323 1.00 0.00 O ATOM 0 H GLY A 25 -4.323 6.353 15.463 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.418 7.096 17.937 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.127 7.484 17.979 1.00 0.00 H new ATOM 345 N SER A 26 -5.831 4.984 17.135 1.00 0.00 N ATOM 346 CA SER A 26 -6.230 3.586 17.161 1.00 0.00 C ATOM 347 C SER A 26 -5.401 2.775 16.163 1.00 0.00 C ATOM 348 O SER A 26 -4.540 3.324 15.469 1.00 0.00 O ATOM 349 CB SER A 26 -7.718 3.475 16.836 1.00 0.00 C ATOM 350 OG SER A 26 -8.362 4.729 17.010 1.00 0.00 O ATOM 0 H SER A 26 -6.488 5.598 16.653 1.00 0.00 H new ATOM 0 HA SER A 26 -6.052 3.181 18.157 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.847 3.133 15.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.182 2.729 17.481 1.00 0.00 H new ATOM 0 HG SER A 26 -9.314 4.640 16.796 1.00 0.00 H new ATOM 356 N ALA A 27 -5.677 1.476 16.078 1.00 0.00 N ATOM 357 CA ALA A 27 -4.925 0.584 15.198 1.00 0.00 C ATOM 358 C ALA A 27 -5.399 0.699 13.747 1.00 0.00 C ATOM 359 O ALA A 27 -5.740 -0.297 13.109 1.00 0.00 O ATOM 360 CB ALA A 27 -5.042 -0.852 15.692 1.00 0.00 C ATOM 0 H ALA A 27 -6.417 1.017 16.609 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.877 0.883 15.223 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.479 -1.511 15.031 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.641 -0.923 16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.090 -1.151 15.696 1.00 0.00 H new ATOM 366 N SER A 28 -5.420 1.921 13.238 1.00 0.00 N ATOM 367 CA SER A 28 -5.797 2.182 11.858 1.00 0.00 C ATOM 368 C SER A 28 -4.872 3.238 11.270 1.00 0.00 C ATOM 369 O SER A 28 -4.650 4.291 11.875 1.00 0.00 O ATOM 370 CB SER A 28 -7.255 2.639 11.779 1.00 0.00 C ATOM 371 OG SER A 28 -8.059 1.927 12.707 1.00 0.00 O ATOM 0 H SER A 28 -5.177 2.758 13.768 1.00 0.00 H new ATOM 0 HA SER A 28 -5.700 1.263 11.280 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.317 3.708 11.983 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.635 2.485 10.769 1.00 0.00 H new ATOM 0 HG SER A 28 -8.191 1.010 12.389 1.00 0.00 H new ATOM 377 N LEU A 29 -4.324 2.951 10.104 1.00 0.00 N ATOM 378 CA LEU A 29 -3.335 3.824 9.496 1.00 0.00 C ATOM 379 C LEU A 29 -3.730 4.173 8.065 1.00 0.00 C ATOM 380 O LEU A 29 -4.595 3.526 7.473 1.00 0.00 O ATOM 381 CB LEU A 29 -1.954 3.161 9.527 1.00 0.00 C ATOM 382 CG LEU A 29 -1.896 1.798 10.224 1.00 0.00 C ATOM 383 CD1 LEU A 29 -1.902 0.668 9.203 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.667 1.707 11.116 1.00 0.00 C ATOM 0 H LEU A 29 -4.547 2.119 9.558 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.291 4.749 10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.604 3.041 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.257 3.835 10.025 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.784 1.696 10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.860 -0.290 9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.814 0.720 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.036 0.765 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.642 0.732 11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.231 1.834 10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.708 2.490 11.873 1.00 0.00 H new ATOM 396 N GLY A 30 -3.103 5.203 7.518 1.00 0.00 N ATOM 397 CA GLY A 30 -3.441 5.655 6.185 1.00 0.00 C ATOM 398 C GLY A 30 -2.400 5.273 5.156 1.00 0.00 C ATOM 399 O GLY A 30 -1.584 6.102 4.746 1.00 0.00 O ATOM 0 H GLY A 30 -2.363 5.736 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.403 5.233 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.558 6.739 6.192 1.00 0.00 H new ATOM 403 N CYS A 31 -2.412 4.014 4.756 1.00 0.00 N ATOM 404 CA CYS A 31 -1.525 3.535 3.716 1.00 0.00 C ATOM 405 C CYS A 31 -2.090 3.875 2.345 1.00 0.00 C ATOM 406 O CYS A 31 -3.086 3.302 1.918 1.00 0.00 O ATOM 407 CB CYS A 31 -1.315 2.023 3.850 1.00 0.00 C ATOM 408 SG CYS A 31 -1.648 1.356 5.514 1.00 0.00 S ATOM 0 H CYS A 31 -3.032 3.301 5.140 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.559 4.028 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.960 1.515 3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.287 1.786 3.577 1.00 0.00 H new ATOM 413 N VAL A 32 -1.465 4.826 1.668 1.00 0.00 N ATOM 414 CA VAL A 32 -1.893 5.212 0.332 1.00 0.00 C ATOM 415 C VAL A 32 -1.142 4.397 -0.714 1.00 0.00 C ATOM 416 O VAL A 32 -0.105 3.805 -0.412 1.00 0.00 O ATOM 417 CB VAL A 32 -1.675 6.719 0.070 1.00 0.00 C ATOM 418 CG1 VAL A 32 -2.657 7.550 0.883 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.242 7.122 0.388 1.00 0.00 C ATOM 0 H VAL A 32 -0.661 5.344 2.021 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.962 5.010 0.260 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.855 6.910 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.488 8.609 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.677 7.286 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.510 7.351 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.112 8.187 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.030 6.914 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.444 6.554 -0.241 1.00 0.00 H new ATOM 429 N VAL A 33 -1.673 4.355 -1.928 1.00 0.00 N ATOM 430 CA VAL A 33 -1.055 3.591 -3.002 1.00 0.00 C ATOM 431 C VAL A 33 0.336 4.130 -3.305 1.00 0.00 C ATOM 432 O VAL A 33 0.526 5.340 -3.450 1.00 0.00 O ATOM 433 CB VAL A 33 -1.906 3.614 -4.290 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.270 2.753 -5.374 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.322 3.146 -3.997 1.00 0.00 C ATOM 0 H VAL A 33 -2.530 4.841 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.983 2.558 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.949 4.640 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.887 2.784 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.275 3.134 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.193 1.724 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.910 3.168 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.296 2.128 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.778 3.806 -3.259 1.00 0.00 H new ATOM 445 N GLY A 34 1.302 3.225 -3.362 1.00 0.00 N ATOM 446 CA GLY A 34 2.668 3.605 -3.632 1.00 0.00 C ATOM 447 C GLY A 34 2.832 4.268 -4.982 1.00 0.00 C ATOM 448 O GLY A 34 2.305 3.787 -5.988 1.00 0.00 O ATOM 0 H GLY A 34 1.159 2.225 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.013 4.285 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.303 2.720 -3.586 1.00 0.00 H new ATOM 452 N VAL A 35 3.568 5.369 -5.003 1.00 0.00 N ATOM 453 CA VAL A 35 3.814 6.095 -6.236 1.00 0.00 C ATOM 454 C VAL A 35 4.900 5.398 -7.038 1.00 0.00 C ATOM 455 O VAL A 35 6.045 5.286 -6.595 1.00 0.00 O ATOM 456 CB VAL A 35 4.228 7.562 -5.985 1.00 0.00 C ATOM 457 CG1 VAL A 35 3.248 8.508 -6.656 1.00 0.00 C ATOM 458 CG2 VAL A 35 4.326 7.867 -4.497 1.00 0.00 C ATOM 0 H VAL A 35 4.005 5.778 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 35 2.877 6.106 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 35 5.217 7.709 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.552 9.538 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.238 8.320 -7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.250 8.346 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.619 8.907 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.358 7.697 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.071 7.216 -4.040 1.00 0.00 H new ATOM 468 N ILE A 36 4.527 4.922 -8.214 1.00 0.00 N ATOM 469 CA ILE A 36 5.421 4.138 -9.052 1.00 0.00 C ATOM 470 C ILE A 36 6.573 4.993 -9.564 1.00 0.00 C ATOM 471 O ILE A 36 6.363 6.007 -10.232 1.00 0.00 O ATOM 472 CB ILE A 36 4.660 3.515 -10.245 1.00 0.00 C ATOM 473 CG1 ILE A 36 3.518 2.632 -9.731 1.00 0.00 C ATOM 474 CG2 ILE A 36 5.599 2.710 -11.137 1.00 0.00 C ATOM 475 CD1 ILE A 36 2.402 2.434 -10.733 1.00 0.00 C ATOM 0 H ILE A 36 3.600 5.067 -8.614 1.00 0.00 H new ATOM 0 HA ILE A 36 5.826 3.333 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 36 4.242 4.323 -10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.921 1.658 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.106 3.077 -8.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.036 2.284 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.380 3.363 -11.526 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.053 1.907 -10.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.631 1.799 -10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.971 3.401 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.799 1.960 -11.631 1.00 0.00 H new ATOM 487 N GLY A 37 7.787 4.590 -9.219 1.00 0.00 N ATOM 488 CA GLY A 37 8.967 5.312 -9.649 1.00 0.00 C ATOM 489 C GLY A 37 9.243 6.521 -8.784 1.00 0.00 C ATOM 490 O GLY A 37 9.994 7.410 -9.174 1.00 0.00 O ATOM 0 H GLY A 37 7.977 3.769 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.829 4.645 -9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.840 5.629 -10.684 1.00 0.00 H new ATOM 494 N SER A 38 8.635 6.555 -7.608 1.00 0.00 N ATOM 495 CA SER A 38 8.818 7.668 -6.690 1.00 0.00 C ATOM 496 C SER A 38 9.238 7.166 -5.310 1.00 0.00 C ATOM 497 O SER A 38 9.048 5.993 -4.983 1.00 0.00 O ATOM 498 CB SER A 38 7.524 8.474 -6.594 1.00 0.00 C ATOM 499 OG SER A 38 6.756 8.329 -7.779 1.00 0.00 O ATOM 0 H SER A 38 8.010 5.824 -7.267 1.00 0.00 H new ATOM 0 HA SER A 38 9.611 8.312 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.943 8.139 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.756 9.526 -6.431 1.00 0.00 H new ATOM 0 HG SER A 38 6.115 9.068 -7.846 1.00 0.00 H new ATOM 505 N GLN A 39 9.814 8.055 -4.513 1.00 0.00 N ATOM 506 CA GLN A 39 10.270 7.704 -3.176 1.00 0.00 C ATOM 507 C GLN A 39 9.236 8.098 -2.129 1.00 0.00 C ATOM 508 O GLN A 39 8.489 9.065 -2.305 1.00 0.00 O ATOM 509 CB GLN A 39 11.605 8.385 -2.869 1.00 0.00 C ATOM 510 CG GLN A 39 12.806 7.684 -3.484 1.00 0.00 C ATOM 511 CD GLN A 39 13.929 8.645 -3.822 1.00 0.00 C ATOM 512 OE1 GLN A 39 13.687 9.798 -4.173 1.00 0.00 O ATOM 513 NE2 GLN A 39 15.163 8.181 -3.712 1.00 0.00 N ATOM 0 H GLN A 39 9.977 9.028 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 39 10.407 6.623 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.570 9.412 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.738 8.433 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.175 6.928 -2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.494 7.162 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.321 7.217 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.956 8.787 -3.922 1.00 0.00 H new ATOM 522 N CYS A 40 9.199 7.343 -1.043 1.00 0.00 N ATOM 523 CA CYS A 40 8.281 7.611 0.053 1.00 0.00 C ATOM 524 C CYS A 40 9.056 7.836 1.347 1.00 0.00 C ATOM 525 O CYS A 40 10.195 7.377 1.482 1.00 0.00 O ATOM 526 CB CYS A 40 7.309 6.443 0.235 1.00 0.00 C ATOM 527 SG CYS A 40 5.550 6.929 0.280 1.00 0.00 S ATOM 0 H CYS A 40 9.800 6.532 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 40 7.714 8.510 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.457 5.733 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.554 5.923 1.161 1.00 0.00 H new ATOM 532 N GLY A 41 8.441 8.533 2.295 1.00 0.00 N ATOM 533 CA GLY A 41 9.087 8.789 3.566 1.00 0.00 C ATOM 534 C GLY A 41 8.382 8.084 4.706 1.00 0.00 C ATOM 535 O GLY A 41 8.585 8.419 5.875 1.00 0.00 O ATOM 0 H GLY A 41 7.504 8.926 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.125 8.458 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.103 9.862 3.756 1.00 0.00 H new ATOM 539 N ALA A 42 7.545 7.116 4.365 1.00 0.00 N ATOM 540 CA ALA A 42 6.809 6.354 5.355 1.00 0.00 C ATOM 541 C ALA A 42 7.076 4.863 5.184 1.00 0.00 C ATOM 542 O ALA A 42 8.057 4.471 4.548 1.00 0.00 O ATOM 543 CB ALA A 42 5.324 6.660 5.248 1.00 0.00 C ATOM 0 H ALA A 42 7.359 6.840 3.401 1.00 0.00 H new ATOM 0 HA ALA A 42 7.147 6.643 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.779 6.083 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.158 7.724 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.968 6.393 4.253 1.00 0.00 H new ATOM 549 N SER A 43 6.209 4.038 5.749 1.00 0.00 N ATOM 550 CA SER A 43 6.377 2.595 5.685 1.00 0.00 C ATOM 551 C SER A 43 5.689 2.017 4.454 1.00 0.00 C ATOM 552 O SER A 43 4.460 1.952 4.385 1.00 0.00 O ATOM 553 CB SER A 43 5.817 1.948 6.953 1.00 0.00 C ATOM 554 OG SER A 43 6.197 2.683 8.104 1.00 0.00 O ATOM 0 H SER A 43 5.380 4.344 6.258 1.00 0.00 H new ATOM 0 HA SER A 43 7.443 2.378 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.730 1.897 6.891 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.180 0.923 7.034 1.00 0.00 H new ATOM 0 HG SER A 43 5.827 2.253 8.903 1.00 0.00 H new ATOM 560 N VAL A 44 6.488 1.612 3.480 1.00 0.00 N ATOM 561 CA VAL A 44 5.968 0.964 2.285 1.00 0.00 C ATOM 562 C VAL A 44 5.758 -0.523 2.549 1.00 0.00 C ATOM 563 O VAL A 44 6.718 -1.278 2.708 1.00 0.00 O ATOM 564 CB VAL A 44 6.918 1.141 1.082 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.202 0.810 -0.220 1.00 0.00 C ATOM 566 CG2 VAL A 44 7.479 2.556 1.041 1.00 0.00 C ATOM 0 H VAL A 44 7.502 1.721 3.493 1.00 0.00 H new ATOM 0 HA VAL A 44 5.017 1.437 2.041 1.00 0.00 H new ATOM 0 HB VAL A 44 7.751 0.448 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.889 0.941 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.856 -0.223 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.348 1.475 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.146 2.658 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.660 3.270 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.033 2.754 1.958 1.00 0.00 H new ATOM 576 N LYS A 45 4.501 -0.929 2.623 1.00 0.00 N ATOM 577 CA LYS A 45 4.155 -2.307 2.930 1.00 0.00 C ATOM 578 C LYS A 45 3.137 -2.845 1.937 1.00 0.00 C ATOM 579 O LYS A 45 2.713 -2.143 1.023 1.00 0.00 O ATOM 580 CB LYS A 45 3.575 -2.407 4.343 1.00 0.00 C ATOM 581 CG LYS A 45 4.458 -1.805 5.421 1.00 0.00 C ATOM 582 CD LYS A 45 4.596 -2.739 6.610 1.00 0.00 C ATOM 583 CE LYS A 45 3.774 -2.260 7.792 1.00 0.00 C ATOM 584 NZ LYS A 45 4.290 -2.790 9.083 1.00 0.00 N ATOM 0 H LYS A 45 3.698 -0.318 2.473 1.00 0.00 H new ATOM 0 HA LYS A 45 5.066 -2.902 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.606 -1.908 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.398 -3.457 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.444 -1.591 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.037 -0.855 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.276 -3.741 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.645 -2.809 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.780 -1.170 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.737 -2.570 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.700 -2.438 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.261 -3.829 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.271 -2.473 9.221 1.00 0.00 H new ATOM 598 N CYS A 46 2.747 -4.088 2.135 1.00 0.00 N ATOM 599 CA CYS A 46 1.714 -4.717 1.333 1.00 0.00 C ATOM 600 C CYS A 46 0.455 -4.868 2.169 1.00 0.00 C ATOM 601 O CYS A 46 0.385 -5.720 3.052 1.00 0.00 O ATOM 602 CB CYS A 46 2.183 -6.084 0.836 1.00 0.00 C ATOM 603 SG CYS A 46 3.921 -6.122 0.298 1.00 0.00 S ATOM 0 H CYS A 46 3.137 -4.693 2.858 1.00 0.00 H new ATOM 0 HA CYS A 46 1.502 -4.092 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.044 -6.815 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.550 -6.393 0.005 1.00 0.00 H new ATOM 608 N CYS A 47 -0.533 -4.038 1.899 1.00 0.00 N ATOM 609 CA CYS A 47 -1.734 -4.005 2.717 1.00 0.00 C ATOM 610 C CYS A 47 -2.963 -4.369 1.902 1.00 0.00 C ATOM 611 O CYS A 47 -3.018 -4.114 0.697 1.00 0.00 O ATOM 612 CB CYS A 47 -1.908 -2.620 3.336 1.00 0.00 C ATOM 613 SG CYS A 47 -0.479 -2.071 4.329 1.00 0.00 S ATOM 0 H CYS A 47 -0.530 -3.378 1.122 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.623 -4.743 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.085 -1.896 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.797 -2.624 3.967 1.00 0.00 H new ATOM 618 N LYS A 48 -3.937 -4.981 2.553 1.00 0.00 N ATOM 619 CA LYS A 48 -5.185 -5.312 1.902 1.00 0.00 C ATOM 620 C LYS A 48 -6.191 -4.183 2.086 1.00 0.00 C ATOM 621 O LYS A 48 -6.595 -3.870 3.201 1.00 0.00 O ATOM 622 CB LYS A 48 -5.749 -6.623 2.448 1.00 0.00 C ATOM 623 CG LYS A 48 -5.656 -7.787 1.469 1.00 0.00 C ATOM 624 CD LYS A 48 -5.866 -7.342 0.025 1.00 0.00 C ATOM 625 CE LYS A 48 -7.326 -7.020 -0.254 1.00 0.00 C ATOM 626 NZ LYS A 48 -7.538 -6.498 -1.634 1.00 0.00 N ATOM 0 H LYS A 48 -3.884 -5.258 3.533 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.994 -5.441 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.215 -6.885 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.793 -6.473 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.679 -8.262 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.402 -8.538 1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.254 -6.464 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.530 -8.128 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.927 -7.918 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.677 -6.283 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.978 -5.557 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.623 -6.428 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.162 -7.145 -2.158 1.00 0.00 H new ATOM 640 N ASP A 49 -6.570 -3.575 0.976 1.00 0.00 N ATOM 641 CA ASP A 49 -7.548 -2.492 0.967 1.00 0.00 C ATOM 642 C ASP A 49 -8.939 -3.006 1.321 1.00 0.00 C ATOM 643 O ASP A 49 -9.717 -2.328 1.998 1.00 0.00 O ATOM 644 CB ASP A 49 -7.585 -1.839 -0.417 1.00 0.00 C ATOM 645 CG ASP A 49 -7.236 -2.816 -1.526 1.00 0.00 C ATOM 646 OD1 ASP A 49 -7.887 -3.879 -1.625 1.00 0.00 O ATOM 647 OD2 ASP A 49 -6.291 -2.541 -2.287 1.00 0.00 O ATOM 0 H ASP A 49 -6.210 -3.816 0.052 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.249 -1.758 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.579 -1.430 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.887 -1.002 -0.440 1.00 0.00 H new ATOM 652 N ASP A 50 -9.238 -4.212 0.861 1.00 0.00 N ATOM 653 CA ASP A 50 -10.548 -4.817 1.061 1.00 0.00 C ATOM 654 C ASP A 50 -10.721 -5.341 2.488 1.00 0.00 C ATOM 655 O ASP A 50 -10.810 -6.546 2.725 1.00 0.00 O ATOM 656 CB ASP A 50 -10.770 -5.940 0.046 1.00 0.00 C ATOM 657 CG ASP A 50 -12.156 -6.546 0.138 1.00 0.00 C ATOM 658 OD1 ASP A 50 -13.122 -5.802 0.408 1.00 0.00 O ATOM 659 OD2 ASP A 50 -12.278 -7.774 -0.054 1.00 0.00 O ATOM 0 H ASP A 50 -8.584 -4.797 0.341 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.299 -4.042 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.614 -5.551 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.026 -6.720 0.205 1.00 0.00 H new ATOM 664 N VAL A 51 -10.716 -4.416 3.428 1.00 0.00 N ATOM 665 CA VAL A 51 -11.113 -4.686 4.801 1.00 0.00 C ATOM 666 C VAL A 51 -12.045 -3.572 5.248 1.00 0.00 C ATOM 667 O VAL A 51 -13.081 -3.811 5.869 1.00 0.00 O ATOM 668 CB VAL A 51 -9.910 -4.783 5.766 1.00 0.00 C ATOM 669 CG1 VAL A 51 -9.337 -6.192 5.765 1.00 0.00 C ATOM 670 CG2 VAL A 51 -8.833 -3.763 5.417 1.00 0.00 C ATOM 0 H VAL A 51 -10.435 -3.450 3.262 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.610 -5.656 4.830 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.268 -4.555 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.491 -6.241 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.104 -6.897 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.005 -6.449 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.001 -3.859 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.477 -3.942 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.249 -2.758 5.483 1.00 0.00 H new ATOM 680 N THR A 52 -11.658 -2.348 4.915 1.00 0.00 N ATOM 681 CA THR A 52 -12.535 -1.203 5.036 1.00 0.00 C ATOM 682 C THR A 52 -13.408 -1.103 3.793 1.00 0.00 C ATOM 683 O THR A 52 -14.572 -0.709 3.869 1.00 0.00 O ATOM 684 CB THR A 52 -11.721 0.090 5.192 1.00 0.00 C ATOM 685 OG1 THR A 52 -10.345 -0.243 5.437 1.00 0.00 O ATOM 686 CG2 THR A 52 -12.260 0.935 6.334 1.00 0.00 C ATOM 0 H THR A 52 -10.730 -2.127 4.555 1.00 0.00 H new ATOM 0 HA THR A 52 -13.158 -1.332 5.921 1.00 0.00 H new ATOM 0 HB THR A 52 -11.803 0.670 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.909 0.495 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.667 1.845 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.299 1.197 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.201 0.370 7.264 1.00 0.00 H new ATOM 694 N ASN A 53 -12.815 -1.478 2.652 1.00 0.00 N ATOM 695 CA ASN A 53 -13.495 -1.502 1.353 1.00 0.00 C ATOM 696 C ASN A 53 -13.779 -0.090 0.843 1.00 0.00 C ATOM 697 O ASN A 53 -13.230 0.331 -0.172 1.00 0.00 O ATOM 698 CB ASN A 53 -14.788 -2.327 1.416 1.00 0.00 C ATOM 699 CG ASN A 53 -15.292 -2.716 0.039 1.00 0.00 C ATOM 700 OD1 ASN A 53 -16.082 -1.993 -0.571 1.00 0.00 O ATOM 701 ND2 ASN A 53 -14.848 -3.861 -0.463 1.00 0.00 N ATOM 0 H ASN A 53 -11.841 -1.776 2.606 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.821 -1.983 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.613 -3.228 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.557 -1.753 1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.160 -4.169 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.194 -4.433 0.072 1.00 0.00 H new ATOM 708 N THR A 54 -14.630 0.632 1.547 1.00 0.00 N ATOM 709 CA THR A 54 -14.943 2.008 1.200 1.00 0.00 C ATOM 710 C THR A 54 -13.860 2.949 1.723 1.00 0.00 C ATOM 711 O THR A 54 -13.457 2.863 2.885 1.00 0.00 O ATOM 712 CB THR A 54 -16.305 2.416 1.783 1.00 0.00 C ATOM 713 OG1 THR A 54 -17.044 1.239 2.151 1.00 0.00 O ATOM 714 CG2 THR A 54 -17.110 3.232 0.784 1.00 0.00 C ATOM 0 H THR A 54 -15.122 0.285 2.371 1.00 0.00 H new ATOM 0 HA THR A 54 -14.986 2.082 0.113 1.00 0.00 H new ATOM 0 HB THR A 54 -16.128 3.034 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.912 1.501 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.068 3.505 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.559 4.136 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.281 2.640 -0.115 1.00 0.00 H new ATOM 722 N GLY A 55 -13.384 3.834 0.862 1.00 0.00 N ATOM 723 CA GLY A 55 -12.327 4.746 1.245 1.00 0.00 C ATOM 724 C GLY A 55 -12.831 6.159 1.454 1.00 0.00 C ATOM 725 O GLY A 55 -14.032 6.419 1.355 1.00 0.00 O ATOM 0 H GLY A 55 -13.712 3.937 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.859 4.391 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.556 4.748 0.475 1.00 0.00 H new ATOM 729 N ASN A 56 -11.920 7.073 1.746 1.00 0.00 N ATOM 730 CA ASN A 56 -12.271 8.471 1.951 1.00 0.00 C ATOM 731 C ASN A 56 -11.131 9.356 1.470 1.00 0.00 C ATOM 732 O ASN A 56 -10.731 9.275 0.307 1.00 0.00 O ATOM 733 CB ASN A 56 -12.579 8.739 3.429 1.00 0.00 C ATOM 734 CG ASN A 56 -13.910 9.442 3.631 1.00 0.00 C ATOM 735 OD1 ASN A 56 -13.958 10.583 4.095 1.00 0.00 O ATOM 736 ND2 ASN A 56 -14.998 8.771 3.283 1.00 0.00 N ATOM 0 H ASN A 56 -10.925 6.871 1.847 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.167 8.702 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.586 7.794 3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.783 9.347 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.918 9.197 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.916 7.828 2.902 1.00 0.00 H new ATOM 743 N SER A 57 -10.587 10.176 2.358 1.00 0.00 N ATOM 744 CA SER A 57 -9.432 10.997 2.033 1.00 0.00 C ATOM 745 C SER A 57 -8.157 10.157 2.112 1.00 0.00 C ATOM 746 O SER A 57 -7.218 10.481 2.845 1.00 0.00 O ATOM 747 CB SER A 57 -9.363 12.176 3.000 1.00 0.00 C ATOM 748 OG SER A 57 -10.284 12.003 4.067 1.00 0.00 O ATOM 0 H SER A 57 -10.929 10.290 3.312 1.00 0.00 H new ATOM 0 HA SER A 57 -9.527 11.379 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.352 12.269 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.583 13.102 2.469 1.00 0.00 H new ATOM 0 HG SER A 57 -10.225 12.767 4.678 1.00 0.00 H new ATOM 754 N GLY A 58 -8.139 9.074 1.349 1.00 0.00 N ATOM 755 CA GLY A 58 -7.035 8.142 1.387 1.00 0.00 C ATOM 756 C GLY A 58 -7.509 6.752 1.753 1.00 0.00 C ATOM 757 O GLY A 58 -8.707 6.532 1.952 1.00 0.00 O ATOM 0 H GLY A 58 -8.881 8.823 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.542 8.117 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.294 8.480 2.112 1.00 0.00 H new ATOM 761 N LEU A 59 -6.580 5.815 1.849 1.00 0.00 N ATOM 762 CA LEU A 59 -6.918 4.446 2.195 1.00 0.00 C ATOM 763 C LEU A 59 -6.639 4.189 3.671 1.00 0.00 C ATOM 764 O LEU A 59 -5.487 4.045 4.084 1.00 0.00 O ATOM 765 CB LEU A 59 -6.129 3.458 1.329 1.00 0.00 C ATOM 766 CG LEU A 59 -6.764 3.094 -0.021 1.00 0.00 C ATOM 767 CD1 LEU A 59 -8.281 3.027 0.092 1.00 0.00 C ATOM 768 CD2 LEU A 59 -6.349 4.090 -1.094 1.00 0.00 C ATOM 0 H LEU A 59 -5.586 5.978 1.692 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.981 4.298 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.140 3.877 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.983 2.541 1.899 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.403 2.107 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.707 2.768 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.558 2.269 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.665 3.996 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.809 3.815 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.676 5.090 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.264 4.080 -1.200 1.00 0.00 H new ATOM 780 N ILE A 60 -7.696 4.162 4.466 1.00 0.00 N ATOM 781 CA ILE A 60 -7.572 3.879 5.887 1.00 0.00 C ATOM 782 C ILE A 60 -7.641 2.379 6.121 1.00 0.00 C ATOM 783 O ILE A 60 -8.711 1.778 6.028 1.00 0.00 O ATOM 784 CB ILE A 60 -8.673 4.575 6.715 1.00 0.00 C ATOM 785 CG1 ILE A 60 -8.941 5.988 6.187 1.00 0.00 C ATOM 786 CG2 ILE A 60 -8.277 4.625 8.184 1.00 0.00 C ATOM 787 CD1 ILE A 60 -10.319 6.154 5.582 1.00 0.00 C ATOM 0 H ILE A 60 -8.651 4.333 4.151 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.608 4.269 6.214 1.00 0.00 H new ATOM 0 HB ILE A 60 -9.591 3.995 6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.823 6.701 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.191 6.235 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.063 5.119 8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.138 3.611 8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.346 5.182 8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.440 7.178 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.434 5.465 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.076 5.938 6.336 1.00 0.00 H new ATOM 799 N ILE A 61 -6.496 1.784 6.408 1.00 0.00 N ATOM 800 CA ILE A 61 -6.404 0.348 6.604 1.00 0.00 C ATOM 801 C ILE A 61 -6.077 0.029 8.058 1.00 0.00 C ATOM 802 O ILE A 61 -5.229 0.681 8.676 1.00 0.00 O ATOM 803 CB ILE A 61 -5.339 -0.279 5.670 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.698 -0.005 4.207 1.00 0.00 C ATOM 805 CG2 ILE A 61 -5.221 -1.778 5.906 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.497 0.152 3.305 1.00 0.00 C ATOM 0 H ILE A 61 -5.610 2.279 6.511 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.373 -0.085 6.354 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.376 0.179 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.316 -0.822 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.302 0.901 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.467 -2.193 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.930 -1.962 6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.182 -2.254 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.831 0.344 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.889 0.988 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.904 -0.762 3.327 1.00 0.00 H new ATOM 818 N ASN A 62 -6.784 -0.946 8.609 1.00 0.00 N ATOM 819 CA ASN A 62 -6.547 -1.399 9.971 1.00 0.00 C ATOM 820 C ASN A 62 -5.190 -2.079 10.081 1.00 0.00 C ATOM 821 O ASN A 62 -4.700 -2.669 9.116 1.00 0.00 O ATOM 822 CB ASN A 62 -7.638 -2.381 10.397 1.00 0.00 C ATOM 823 CG ASN A 62 -8.560 -1.816 11.460 1.00 0.00 C ATOM 824 OD1 ASN A 62 -8.481 -0.641 11.818 1.00 0.00 O ATOM 825 ND2 ASN A 62 -9.445 -2.655 11.978 1.00 0.00 N ATOM 0 H ASN A 62 -7.534 -1.443 8.128 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.564 -0.528 10.626 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.228 -2.662 9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.173 -3.292 10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.091 -2.334 12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.480 -3.622 11.656 1.00 0.00 H new ATOM 832 N ALA A 63 -4.588 -2.000 11.259 1.00 0.00 N ATOM 833 CA ALA A 63 -3.317 -2.645 11.512 1.00 0.00 C ATOM 834 C ALA A 63 -3.478 -4.157 11.494 1.00 0.00 C ATOM 835 O ALA A 63 -4.597 -4.673 11.543 1.00 0.00 O ATOM 836 CB ALA A 63 -2.740 -2.184 12.844 1.00 0.00 C ATOM 0 H ALA A 63 -4.967 -1.490 12.057 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.622 -2.362 10.722 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.785 -2.679 13.018 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.590 -1.105 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.431 -2.438 13.647 1.00 0.00 H new ATOM 842 N ALA A 64 -2.350 -4.846 11.402 1.00 0.00 N ATOM 843 CA ALA A 64 -2.306 -6.312 11.365 1.00 0.00 C ATOM 844 C ALA A 64 -2.872 -6.865 10.055 1.00 0.00 C ATOM 845 O ALA A 64 -3.064 -8.073 9.912 1.00 0.00 O ATOM 846 CB ALA A 64 -3.025 -6.913 12.567 1.00 0.00 C ATOM 0 H ALA A 64 -1.431 -4.407 11.350 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.257 -6.605 11.416 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.977 -8.001 12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.546 -6.573 13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.068 -6.596 12.563 1.00 0.00 H new ATOM 852 N ASN A 65 -3.135 -5.982 9.100 1.00 0.00 N ATOM 853 CA ASN A 65 -3.587 -6.401 7.776 1.00 0.00 C ATOM 854 C ASN A 65 -2.571 -5.984 6.724 1.00 0.00 C ATOM 855 O ASN A 65 -2.882 -5.870 5.537 1.00 0.00 O ATOM 856 CB ASN A 65 -4.958 -5.808 7.446 1.00 0.00 C ATOM 857 CG ASN A 65 -5.997 -6.880 7.185 1.00 0.00 C ATOM 858 OD1 ASN A 65 -5.946 -7.574 6.166 1.00 0.00 O ATOM 859 ND2 ASN A 65 -6.947 -7.023 8.097 1.00 0.00 N ATOM 0 H ASN A 65 -3.044 -4.973 9.215 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.680 -7.487 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.288 -5.178 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.873 -5.166 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.673 -7.728 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.952 -6.428 8.926 1.00 0.00 H new ATOM 866 N CYS A 66 -1.349 -5.751 7.177 1.00 0.00 N ATOM 867 CA CYS A 66 -0.260 -5.383 6.292 1.00 0.00 C ATOM 868 C CYS A 66 0.891 -6.362 6.446 1.00 0.00 C ATOM 869 O CYS A 66 1.195 -6.805 7.552 1.00 0.00 O ATOM 870 CB CYS A 66 0.236 -3.968 6.596 1.00 0.00 C ATOM 871 SG CYS A 66 -0.960 -2.647 6.216 1.00 0.00 S ATOM 0 H CYS A 66 -1.087 -5.812 8.161 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.633 -5.413 5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.500 -3.909 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.149 -3.788 6.029 1.00 0.00 H new ATOM 876 N VAL A 67 1.512 -6.705 5.341 1.00 0.00 N ATOM 877 CA VAL A 67 2.679 -7.566 5.359 1.00 0.00 C ATOM 878 C VAL A 67 3.782 -6.941 4.526 1.00 0.00 C ATOM 879 O VAL A 67 3.568 -5.916 3.883 1.00 0.00 O ATOM 880 CB VAL A 67 2.361 -8.977 4.820 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.890 -9.889 5.943 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.321 -8.913 3.710 1.00 0.00 C ATOM 0 H VAL A 67 1.228 -6.400 4.410 1.00 0.00 H new ATOM 0 HA VAL A 67 3.002 -7.670 6.395 1.00 0.00 H new ATOM 0 HB VAL A 67 3.278 -9.393 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.671 -10.878 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.671 -9.969 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.989 -9.474 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.114 -9.920 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.403 -8.471 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.701 -8.303 2.891 1.00 0.00 H new ATOM 892 N ALA A 68 4.957 -7.533 4.554 1.00 0.00 N ATOM 893 CA ALA A 68 6.062 -7.061 3.739 1.00 0.00 C ATOM 894 C ALA A 68 6.854 -8.239 3.194 1.00 0.00 C ATOM 895 O ALA A 68 6.316 -8.967 2.334 1.00 0.00 O ATOM 896 CB ALA A 68 6.954 -6.127 4.543 1.00 0.00 C ATOM 897 OXT ALA A 68 8.003 -8.447 3.635 1.00 0.00 O ATOM 0 H ALA A 68 5.174 -8.344 5.133 1.00 0.00 H new ATOM 0 HA ALA A 68 5.662 -6.500 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.777 -5.782 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.372 -5.270 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.353 -6.659 5.407 1.00 0.00 H new TER 903 ALA A 68