USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 534 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.25 (180deg=1.03) USER MOD Single : A 4 HIS : no HD1:sc= 0.244 K(o=0.24,f=-4.4!) USER MOD Single : A 7 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.7!) USER MOD Single : A 10 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.47) USER MOD Single : A 14 GLN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 18 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0064 USER MOD Single : A 30 MET CE :methyl -130:sc= -1.14 (180deg=-2.26!) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -0.854 (180deg=-3.05!) USER MOD Single : A 38 HIS : no HD1:sc= 0.889 K(o=0.89,f=-3.8!) USER MOD Single : A 39 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.41) USER MOD Single : A 42 GLN : amide:sc= -0.948 K(o=-0.95,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.0348 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.915 X(o=-0.92,f=-0.46) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 1.06 (180deg=0.236) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.0127 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 65.215 -8.969 10.757 1.00 0.00 N ATOM 2 CA MET A 1 65.385 -8.168 9.524 1.00 0.00 C ATOM 3 C MET A 1 64.207 -7.224 9.363 1.00 0.00 C ATOM 4 O MET A 1 63.088 -7.657 9.086 1.00 0.00 O ATOM 5 CB MET A 1 65.485 -9.073 8.292 1.00 0.00 C ATOM 6 CG MET A 1 66.628 -10.069 8.345 1.00 0.00 C ATOM 7 SD MET A 1 66.714 -11.101 6.866 1.00 0.00 S ATOM 8 CE MET A 1 68.033 -12.225 7.322 1.00 0.00 C ATOM 0 H1 MET A 1 66.129 -9.381 11.032 1.00 0.00 H new ATOM 0 H2 MET A 1 64.866 -8.358 11.523 1.00 0.00 H new ATOM 0 H3 MET A 1 64.530 -9.732 10.584 1.00 0.00 H new ATOM 0 HA MET A 1 66.309 -7.597 9.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 64.548 -9.618 8.178 1.00 0.00 H new ATOM 0 HB3 MET A 1 65.601 -8.450 7.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 67.569 -9.532 8.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 66.511 -10.705 9.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.208 -12.929 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.944 -11.658 7.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.750 -12.772 8.221 1.00 0.00 H new ATOM 18 N GLU A 2 64.452 -5.937 9.545 1.00 0.00 N ATOM 19 CA GLU A 2 63.389 -4.948 9.478 1.00 0.00 C ATOM 20 C GLU A 2 63.821 -3.793 8.597 1.00 0.00 C ATOM 21 O GLU A 2 64.992 -3.686 8.230 1.00 0.00 O ATOM 22 CB GLU A 2 63.033 -4.389 10.868 1.00 0.00 C ATOM 23 CG GLU A 2 63.003 -5.413 11.995 1.00 0.00 C ATOM 24 CD GLU A 2 64.388 -5.757 12.503 1.00 0.00 C ATOM 25 OE1 GLU A 2 65.145 -4.828 12.857 1.00 0.00 O ATOM 26 OE2 GLU A 2 64.736 -6.956 12.529 1.00 0.00 O ATOM 0 H GLU A 2 65.377 -5.553 9.740 1.00 0.00 H new ATOM 0 HA GLU A 2 62.511 -5.445 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 2 63.754 -3.613 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 2 62.056 -3.910 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 2 62.404 -5.025 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 2 62.512 -6.321 11.644 1.00 0.00 H new ATOM 33 N LEU A 3 62.881 -2.928 8.267 1.00 0.00 N ATOM 34 CA LEU A 3 63.210 -1.693 7.587 1.00 0.00 C ATOM 35 C LEU A 3 63.819 -0.724 8.592 1.00 0.00 C ATOM 36 O LEU A 3 63.238 -0.468 9.645 1.00 0.00 O ATOM 37 CB LEU A 3 61.963 -1.080 6.942 1.00 0.00 C ATOM 38 CG LEU A 3 61.301 -1.938 5.862 1.00 0.00 C ATOM 39 CD1 LEU A 3 60.055 -1.253 5.328 1.00 0.00 C ATOM 40 CD2 LEU A 3 62.277 -2.226 4.729 1.00 0.00 C ATOM 0 H LEU A 3 61.888 -3.058 8.458 1.00 0.00 H new ATOM 0 HA LEU A 3 63.928 -1.898 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.230 -0.879 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 3 62.234 -0.119 6.505 1.00 0.00 H new ATOM 0 HG LEU A 3 61.009 -2.887 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 3 59.597 -1.877 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 3 59.347 -1.100 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 3 60.326 -0.289 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 3 61.786 -2.837 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 3 62.603 -1.287 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 3 63.142 -2.760 5.121 1.00 0.00 H new ATOM 52 N HIS A 4 65.006 -0.232 8.292 1.00 0.00 N ATOM 53 CA HIS A 4 65.676 0.722 9.163 1.00 0.00 C ATOM 54 C HIS A 4 65.860 2.040 8.427 1.00 0.00 C ATOM 55 O HIS A 4 65.884 2.064 7.199 1.00 0.00 O ATOM 56 CB HIS A 4 67.026 0.174 9.649 1.00 0.00 C ATOM 57 CG HIS A 4 66.906 -0.926 10.669 1.00 0.00 C ATOM 58 ND1 HIS A 4 67.476 -0.861 11.925 1.00 0.00 N ATOM 59 CD2 HIS A 4 66.277 -2.126 10.614 1.00 0.00 C ATOM 60 CE1 HIS A 4 67.201 -1.967 12.592 1.00 0.00 C ATOM 61 NE2 HIS A 4 66.476 -2.749 11.821 1.00 0.00 N ATOM 0 H HIS A 4 65.529 -0.476 7.451 1.00 0.00 H new ATOM 0 HA HIS A 4 65.056 0.889 10.044 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.586 -0.199 8.791 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.606 0.992 10.077 1.00 0.00 H new ATOM 0 HD2 HIS A 4 65.722 -2.519 9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 4 67.518 -2.192 13.600 1.00 0.00 H new ATOM 0 HE2 HIS A 4 66.120 -3.669 12.079 1.00 0.00 H new ATOM 70 N CYS A 5 65.989 3.133 9.167 1.00 0.00 N ATOM 71 CA CYS A 5 66.050 4.447 8.549 1.00 0.00 C ATOM 72 C CYS A 5 67.494 4.866 8.309 1.00 0.00 C ATOM 73 O CYS A 5 68.237 5.077 9.248 1.00 0.00 O ATOM 74 CB CYS A 5 65.304 5.485 9.404 1.00 0.00 C ATOM 75 SG CYS A 5 65.615 5.393 11.194 1.00 0.00 S ATOM 0 H CYS A 5 66.053 3.135 10.185 1.00 0.00 H new ATOM 0 HA CYS A 5 65.554 4.393 7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 5 65.578 6.481 9.056 1.00 0.00 H new ATOM 0 HB3 CYS A 5 64.234 5.370 9.232 1.00 0.00 H new ATOM 80 N PRO A 6 67.903 5.004 7.039 1.00 0.00 N ATOM 81 CA PRO A 6 69.299 5.309 6.676 1.00 0.00 C ATOM 82 C PRO A 6 69.793 6.643 7.241 1.00 0.00 C ATOM 83 O PRO A 6 70.997 6.882 7.331 1.00 0.00 O ATOM 84 CB PRO A 6 69.272 5.365 5.143 1.00 0.00 C ATOM 85 CG PRO A 6 68.033 4.639 4.744 1.00 0.00 C ATOM 86 CD PRO A 6 67.045 4.865 5.851 1.00 0.00 C ATOM 0 HA PRO A 6 69.981 4.563 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 6 69.256 6.395 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 6 70.158 4.895 4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 6 67.649 5.015 3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 6 68.231 3.576 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 6 66.445 5.759 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 6 66.352 4.030 5.950 1.00 0.00 H new ATOM 94 N GLN A 7 68.859 7.501 7.627 1.00 0.00 N ATOM 95 CA GLN A 7 69.194 8.839 8.104 1.00 0.00 C ATOM 96 C GLN A 7 69.564 8.851 9.588 1.00 0.00 C ATOM 97 O GLN A 7 70.440 9.605 10.009 1.00 0.00 O ATOM 98 CB GLN A 7 68.015 9.783 7.864 1.00 0.00 C ATOM 99 CG GLN A 7 67.654 9.957 6.398 1.00 0.00 C ATOM 100 CD GLN A 7 66.375 10.749 6.198 1.00 0.00 C ATOM 101 OE1 GLN A 7 65.661 10.559 5.214 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.060 11.623 7.141 1.00 0.00 N ATOM 0 H GLN A 7 67.860 7.295 7.620 1.00 0.00 H new ATOM 0 HA GLN A 7 70.067 9.175 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.144 9.405 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.251 10.759 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.472 10.461 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 7 67.544 8.976 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 7 66.677 11.753 7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.200 12.166 7.066 1.00 0.00 H new ATOM 111 N CYS A 8 68.893 8.025 10.376 1.00 0.00 N ATOM 112 CA CYS A 8 69.064 8.054 11.829 1.00 0.00 C ATOM 113 C CYS A 8 69.196 6.647 12.417 1.00 0.00 C ATOM 114 O CYS A 8 69.291 6.478 13.633 1.00 0.00 O ATOM 115 CB CYS A 8 67.887 8.804 12.451 1.00 0.00 C ATOM 116 SG CYS A 8 66.409 8.839 11.400 1.00 0.00 S ATOM 0 H CYS A 8 68.228 7.328 10.041 1.00 0.00 H new ATOM 0 HA CYS A 8 69.993 8.574 12.063 1.00 0.00 H new ATOM 0 HB2 CYS A 8 67.634 8.339 13.404 1.00 0.00 H new ATOM 0 HB3 CYS A 8 68.193 9.828 12.667 1.00 0.00 H new ATOM 121 N GLN A 9 69.186 5.658 11.528 1.00 0.00 N ATOM 122 CA GLN A 9 69.388 4.244 11.855 1.00 0.00 C ATOM 123 C GLN A 9 68.586 3.774 13.064 1.00 0.00 C ATOM 124 O GLN A 9 69.078 3.750 14.193 1.00 0.00 O ATOM 125 CB GLN A 9 70.871 3.938 12.036 1.00 0.00 C ATOM 126 CG GLN A 9 71.690 4.148 10.768 1.00 0.00 C ATOM 127 CD GLN A 9 71.342 3.153 9.672 1.00 0.00 C ATOM 128 OE1 GLN A 9 71.413 3.466 8.485 1.00 0.00 O ATOM 129 NE2 GLN A 9 70.996 1.935 10.060 1.00 0.00 N ATOM 0 H GLN A 9 69.033 5.819 10.532 1.00 0.00 H new ATOM 0 HA GLN A 9 69.006 3.680 11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 9 71.271 4.571 12.828 1.00 0.00 H new ATOM 0 HB3 GLN A 9 70.984 2.905 12.366 1.00 0.00 H new ATOM 0 HG2 GLN A 9 71.527 5.161 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 9 72.750 4.063 11.007 1.00 0.00 H new ATOM 0 HE21 GLN A 9 70.948 1.711 11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 9 70.778 1.221 9.365 1.00 0.00 H new ATOM 138 N HIS A 10 67.338 3.421 12.802 1.00 0.00 N ATOM 139 CA HIS A 10 66.465 2.784 13.778 1.00 0.00 C ATOM 140 C HIS A 10 65.302 2.132 13.043 1.00 0.00 C ATOM 141 O HIS A 10 65.254 2.174 11.813 1.00 0.00 O ATOM 142 CB HIS A 10 65.962 3.779 14.832 1.00 0.00 C ATOM 143 CG HIS A 10 66.775 3.761 16.093 1.00 0.00 C ATOM 144 ND1 HIS A 10 67.293 4.895 16.684 1.00 0.00 N ATOM 145 CD2 HIS A 10 67.152 2.726 16.881 1.00 0.00 C ATOM 146 CE1 HIS A 10 67.956 4.554 17.776 1.00 0.00 C ATOM 147 NE2 HIS A 10 67.882 3.247 17.916 1.00 0.00 N ATOM 0 H HIS A 10 66.896 3.570 11.895 1.00 0.00 H new ATOM 0 HA HIS A 10 67.033 2.025 14.316 1.00 0.00 H new ATOM 0 HB2 HIS A 10 65.978 4.784 14.411 1.00 0.00 H new ATOM 0 HB3 HIS A 10 64.924 3.550 15.073 1.00 0.00 H new ATOM 0 HD2 HIS A 10 66.920 1.683 16.723 1.00 0.00 H new ATOM 0 HE1 HIS A 10 68.471 5.232 18.440 1.00 0.00 H new ATOM 0 HE2 HIS A 10 68.301 2.709 18.674 1.00 0.00 H new ATOM 156 N VAL A 11 64.377 1.536 13.778 1.00 0.00 N ATOM 157 CA VAL A 11 63.300 0.764 13.166 1.00 0.00 C ATOM 158 C VAL A 11 62.261 1.655 12.471 1.00 0.00 C ATOM 159 O VAL A 11 61.842 2.691 12.999 1.00 0.00 O ATOM 160 CB VAL A 11 62.607 -0.149 14.205 1.00 0.00 C ATOM 161 CG1 VAL A 11 61.910 0.669 15.282 1.00 0.00 C ATOM 162 CG2 VAL A 11 61.631 -1.101 13.527 1.00 0.00 C ATOM 0 H VAL A 11 64.347 1.570 14.797 1.00 0.00 H new ATOM 0 HA VAL A 11 63.764 0.142 12.401 1.00 0.00 H new ATOM 0 HB VAL A 11 63.380 -0.745 14.690 1.00 0.00 H new ATOM 0 HG11 VAL A 11 61.433 -0.002 15.997 1.00 0.00 H new ATOM 0 HG12 VAL A 11 62.642 1.289 15.799 1.00 0.00 H new ATOM 0 HG13 VAL A 11 61.155 1.307 14.823 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.157 -1.732 14.279 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.868 -0.527 13.002 1.00 0.00 H new ATOM 0 HG23 VAL A 11 62.169 -1.727 12.815 1.00 0.00 H new ATOM 172 N LEU A 12 61.884 1.245 11.267 1.00 0.00 N ATOM 173 CA LEU A 12 60.818 1.887 10.507 1.00 0.00 C ATOM 174 C LEU A 12 59.561 1.031 10.543 1.00 0.00 C ATOM 175 O LEU A 12 58.969 0.739 9.503 1.00 0.00 O ATOM 176 CB LEU A 12 61.250 2.092 9.053 1.00 0.00 C ATOM 177 CG LEU A 12 62.054 3.358 8.776 1.00 0.00 C ATOM 178 CD1 LEU A 12 62.570 3.353 7.348 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.190 4.583 9.016 1.00 0.00 C ATOM 0 H LEU A 12 62.311 0.453 10.787 1.00 0.00 H new ATOM 0 HA LEU A 12 60.609 2.857 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.844 1.231 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.358 2.105 8.426 1.00 0.00 H new ATOM 0 HG LEU A 12 62.907 3.388 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 12 63.142 4.263 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.211 2.485 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.728 3.308 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.771 5.483 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.326 4.554 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.852 4.592 10.052 1.00 0.00 H new ATOM 191 N ASP A 13 59.158 0.624 11.739 1.00 0.00 N ATOM 192 CA ASP A 13 57.986 -0.229 11.893 1.00 0.00 C ATOM 193 C ASP A 13 56.729 0.542 11.513 1.00 0.00 C ATOM 194 O ASP A 13 56.239 1.375 12.280 1.00 0.00 O ATOM 195 CB ASP A 13 57.870 -0.748 13.329 1.00 0.00 C ATOM 196 CG ASP A 13 56.846 -1.860 13.461 1.00 0.00 C ATOM 197 OD1 ASP A 13 57.213 -3.033 13.248 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.676 -1.572 13.781 1.00 0.00 O ATOM 0 H ASP A 13 59.622 0.869 12.613 1.00 0.00 H new ATOM 0 HA ASP A 13 58.097 -1.086 11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 13 58.842 -1.112 13.661 1.00 0.00 H new ATOM 0 HB3 ASP A 13 57.596 0.075 13.989 1.00 0.00 H new ATOM 203 N GLN A 14 56.236 0.285 10.312 1.00 0.00 N ATOM 204 CA GLN A 14 55.087 1.001 9.787 1.00 0.00 C ATOM 205 C GLN A 14 53.787 0.340 10.208 1.00 0.00 C ATOM 206 O GLN A 14 53.703 -0.883 10.311 1.00 0.00 O ATOM 207 CB GLN A 14 55.164 1.087 8.264 1.00 0.00 C ATOM 208 CG GLN A 14 55.348 -0.252 7.571 1.00 0.00 C ATOM 209 CD GLN A 14 55.473 -0.102 6.072 1.00 0.00 C ATOM 210 OE1 GLN A 14 54.481 -0.147 5.345 1.00 0.00 O ATOM 211 NE2 GLN A 14 56.696 0.091 5.603 1.00 0.00 N ATOM 0 H GLN A 14 56.617 -0.419 9.680 1.00 0.00 H new ATOM 0 HA GLN A 14 55.104 2.009 10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 14 54.252 1.553 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 14 55.991 1.741 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 14 56.239 -0.743 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 14 54.501 -0.899 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 14 57.489 0.121 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 14 56.845 0.210 4.601 1.00 0.00 H new ATOM 220 N ASP A 15 52.775 1.159 10.449 1.00 0.00 N ATOM 221 CA ASP A 15 51.478 0.664 10.884 1.00 0.00 C ATOM 222 C ASP A 15 50.704 0.087 9.706 1.00 0.00 C ATOM 223 O ASP A 15 50.241 -1.055 9.752 1.00 0.00 O ATOM 224 CB ASP A 15 50.682 1.796 11.535 1.00 0.00 C ATOM 225 CG ASP A 15 49.365 1.325 12.112 1.00 0.00 C ATOM 226 OD1 ASP A 15 49.362 0.814 13.252 1.00 0.00 O ATOM 227 OD2 ASP A 15 48.326 1.486 11.438 1.00 0.00 O ATOM 0 H ASP A 15 52.827 2.173 10.350 1.00 0.00 H new ATOM 0 HA ASP A 15 51.633 -0.129 11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 15 51.280 2.247 12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 15 50.493 2.574 10.795 1.00 0.00 H new ATOM 232 N ASN A 16 50.576 0.885 8.651 1.00 0.00 N ATOM 233 CA ASN A 16 49.906 0.455 7.426 1.00 0.00 C ATOM 234 C ASN A 16 50.147 1.469 6.315 1.00 0.00 C ATOM 235 O ASN A 16 49.543 2.543 6.298 1.00 0.00 O ATOM 236 CB ASN A 16 48.398 0.280 7.654 1.00 0.00 C ATOM 237 CG ASN A 16 47.668 -0.193 6.407 1.00 0.00 C ATOM 238 OD1 ASN A 16 48.235 -0.891 5.564 1.00 0.00 O ATOM 239 ND2 ASN A 16 46.403 0.177 6.282 1.00 0.00 N ATOM 0 H ASN A 16 50.930 1.841 8.619 1.00 0.00 H new ATOM 0 HA ASN A 16 50.322 -0.509 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 16 48.237 -0.437 8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 16 47.972 1.228 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 16 45.864 -0.116 5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 16 45.967 0.755 7.001 1.00 0.00 H new ATOM 246 N GLY A 17 51.064 1.146 5.413 1.00 0.00 N ATOM 247 CA GLY A 17 51.357 2.028 4.298 1.00 0.00 C ATOM 248 C GLY A 17 52.317 3.142 4.674 1.00 0.00 C ATOM 249 O GLY A 17 53.339 3.342 4.018 1.00 0.00 O ATOM 0 H GLY A 17 51.612 0.286 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.783 1.446 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 17 50.428 2.463 3.929 1.00 0.00 H new ATOM 253 N HIS A 18 51.981 3.877 5.723 1.00 0.00 N ATOM 254 CA HIS A 18 52.836 4.950 6.209 1.00 0.00 C ATOM 255 C HIS A 18 53.837 4.422 7.220 1.00 0.00 C ATOM 256 O HIS A 18 53.458 3.803 8.217 1.00 0.00 O ATOM 257 CB HIS A 18 52.010 6.067 6.847 1.00 0.00 C ATOM 258 CG HIS A 18 51.782 7.236 5.941 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.532 7.720 5.629 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.665 8.033 5.298 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.655 8.767 4.832 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.939 8.976 4.616 1.00 0.00 N ATOM 0 H HIS A 18 51.120 3.750 6.255 1.00 0.00 H new ATOM 0 HA HIS A 18 53.372 5.356 5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 18 51.046 5.663 7.155 1.00 0.00 H new ATOM 0 HB3 HIS A 18 52.515 6.411 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.741 7.944 5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.842 9.352 4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 18 52.329 9.719 4.036 1.00 0.00 H new ATOM 271 N ALA A 19 55.110 4.667 6.958 1.00 0.00 N ATOM 272 CA ALA A 19 56.166 4.252 7.859 1.00 0.00 C ATOM 273 C ALA A 19 56.564 5.397 8.772 1.00 0.00 C ATOM 274 O ALA A 19 56.409 6.570 8.423 1.00 0.00 O ATOM 275 CB ALA A 19 57.374 3.760 7.077 1.00 0.00 C ATOM 0 H ALA A 19 55.436 5.154 6.123 1.00 0.00 H new ATOM 0 HA ALA A 19 55.791 3.431 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.156 3.453 7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.085 2.911 6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 19 57.748 4.563 6.441 1.00 0.00 H new ATOM 281 N ARG A 20 57.062 5.061 9.944 1.00 0.00 N ATOM 282 CA ARG A 20 57.534 6.065 10.868 1.00 0.00 C ATOM 283 C ARG A 20 58.763 5.564 11.595 1.00 0.00 C ATOM 284 O ARG A 20 58.855 4.387 11.947 1.00 0.00 O ATOM 285 CB ARG A 20 56.454 6.442 11.887 1.00 0.00 C ATOM 286 CG ARG A 20 56.871 7.597 12.782 1.00 0.00 C ATOM 287 CD ARG A 20 55.837 7.915 13.847 1.00 0.00 C ATOM 288 NE ARG A 20 56.185 9.139 14.565 1.00 0.00 N ATOM 289 CZ ARG A 20 55.477 9.656 15.567 1.00 0.00 C ATOM 290 NH1 ARG A 20 54.422 9.015 16.053 1.00 0.00 N ATOM 291 NH2 ARG A 20 55.848 10.810 16.100 1.00 0.00 N ATOM 0 H ARG A 20 57.149 4.101 10.277 1.00 0.00 H new ATOM 0 HA ARG A 20 57.785 6.955 10.291 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.539 6.709 11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 56.224 5.574 12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 57.819 7.355 13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 20 57.041 8.483 12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.856 8.026 13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.766 7.085 14.550 1.00 0.00 H new ATOM 0 HE ARG A 20 57.030 9.632 14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.145 8.116 15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.888 9.421 16.821 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.671 11.296 15.743 1.00 0.00 H new ATOM 0 HH22 ARG A 20 55.311 11.213 16.868 1.00 0.00 H new ATOM 305 N CYS A 21 59.712 6.456 11.793 1.00 0.00 N ATOM 306 CA CYS A 21 60.847 6.174 12.637 1.00 0.00 C ATOM 307 C CYS A 21 60.380 6.090 14.082 1.00 0.00 C ATOM 308 O CYS A 21 60.291 7.105 14.764 1.00 0.00 O ATOM 309 CB CYS A 21 61.888 7.277 12.488 1.00 0.00 C ATOM 310 SG CYS A 21 62.685 7.363 10.863 1.00 0.00 S ATOM 0 H CYS A 21 59.716 7.387 11.376 1.00 0.00 H new ATOM 0 HA CYS A 21 61.298 5.226 12.344 1.00 0.00 H new ATOM 0 HB2 CYS A 21 61.412 8.236 12.694 1.00 0.00 H new ATOM 0 HB3 CYS A 21 62.658 7.134 13.246 1.00 0.00 H new ATOM 315 N ARG A 22 60.060 4.886 14.532 1.00 0.00 N ATOM 316 CA ARG A 22 59.440 4.696 15.840 1.00 0.00 C ATOM 317 C ARG A 22 60.340 5.210 16.957 1.00 0.00 C ATOM 318 O ARG A 22 59.897 5.957 17.829 1.00 0.00 O ATOM 319 CB ARG A 22 59.119 3.219 16.063 1.00 0.00 C ATOM 320 CG ARG A 22 58.056 2.982 17.121 1.00 0.00 C ATOM 321 CD ARG A 22 57.736 1.504 17.248 1.00 0.00 C ATOM 322 NE ARG A 22 56.415 1.272 17.827 1.00 0.00 N ATOM 323 CZ ARG A 22 55.485 0.515 17.251 1.00 0.00 C ATOM 324 NH1 ARG A 22 55.733 -0.054 16.082 1.00 0.00 N ATOM 325 NH2 ARG A 22 54.307 0.326 17.833 1.00 0.00 N ATOM 0 H ARG A 22 60.219 4.023 14.012 1.00 0.00 H new ATOM 0 HA ARG A 22 58.514 5.270 15.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 58.787 2.782 15.121 1.00 0.00 H new ATOM 0 HB3 ARG A 22 60.031 2.697 16.353 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.401 3.367 18.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 57.152 3.533 16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 22 57.786 1.037 16.264 1.00 0.00 H new ATOM 0 HD3 ARG A 22 58.492 1.023 17.868 1.00 0.00 H new ATOM 0 HE ARG A 22 56.194 1.714 18.720 1.00 0.00 H new ATOM 0 HH11 ARG A 22 56.634 0.089 15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 22 55.023 -0.635 15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 22 54.106 0.764 18.732 1.00 0.00 H new ATOM 0 HH22 ARG A 22 53.602 -0.257 17.381 1.00 0.00 H new ATOM 339 N SER A 23 61.605 4.816 16.915 1.00 0.00 N ATOM 340 CA SER A 23 62.566 5.219 17.928 1.00 0.00 C ATOM 341 C SER A 23 62.919 6.702 17.799 1.00 0.00 C ATOM 342 O SER A 23 63.101 7.392 18.799 1.00 0.00 O ATOM 343 CB SER A 23 63.832 4.376 17.790 1.00 0.00 C ATOM 344 OG SER A 23 63.518 3.049 17.398 1.00 0.00 O ATOM 0 H SER A 23 61.989 4.215 16.186 1.00 0.00 H new ATOM 0 HA SER A 23 62.118 5.061 18.909 1.00 0.00 H new ATOM 0 HB2 SER A 23 64.497 4.829 17.054 1.00 0.00 H new ATOM 0 HB3 SER A 23 64.369 4.362 18.738 1.00 0.00 H new ATOM 0 HG SER A 23 64.344 2.528 17.314 1.00 0.00 H new ATOM 350 N CYS A 24 63.000 7.185 16.564 1.00 0.00 N ATOM 351 CA CYS A 24 63.447 8.551 16.312 1.00 0.00 C ATOM 352 C CYS A 24 62.321 9.557 16.561 1.00 0.00 C ATOM 353 O CYS A 24 62.511 10.555 17.252 1.00 0.00 O ATOM 354 CB CYS A 24 63.935 8.699 14.872 1.00 0.00 C ATOM 355 SG CYS A 24 64.737 7.232 14.161 1.00 0.00 S ATOM 0 H CYS A 24 62.763 6.655 15.725 1.00 0.00 H new ATOM 0 HA CYS A 24 64.266 8.757 17.001 1.00 0.00 H new ATOM 0 HB2 CYS A 24 63.085 8.966 14.245 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.637 9.532 14.829 1.00 0.00 H new ATOM 360 N GLY A 25 61.154 9.289 15.986 1.00 0.00 N ATOM 361 CA GLY A 25 60.030 10.193 16.116 1.00 0.00 C ATOM 362 C GLY A 25 59.553 10.732 14.778 1.00 0.00 C ATOM 363 O GLY A 25 58.363 11.005 14.602 1.00 0.00 O ATOM 0 H GLY A 25 60.967 8.455 15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 59.207 9.675 16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 25 60.312 11.027 16.759 1.00 0.00 H new ATOM 367 N GLU A 26 60.474 10.863 13.827 1.00 0.00 N ATOM 368 CA GLU A 26 60.160 11.470 12.536 1.00 0.00 C ATOM 369 C GLU A 26 59.353 10.519 11.646 1.00 0.00 C ATOM 370 O GLU A 26 59.395 9.298 11.820 1.00 0.00 O ATOM 371 CB GLU A 26 61.445 11.909 11.818 1.00 0.00 C ATOM 372 CG GLU A 26 62.230 10.777 11.167 1.00 0.00 C ATOM 373 CD GLU A 26 63.582 10.539 11.809 1.00 0.00 C ATOM 374 OE1 GLU A 26 64.338 11.506 11.994 1.00 0.00 O ATOM 375 OE2 GLU A 26 63.898 9.364 12.123 1.00 0.00 O ATOM 0 H GLU A 26 61.442 10.558 13.925 1.00 0.00 H new ATOM 0 HA GLU A 26 59.545 12.349 12.729 1.00 0.00 H new ATOM 0 HB2 GLU A 26 61.185 12.640 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 26 62.091 12.415 12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.644 9.860 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 26 62.372 11.003 10.110 1.00 0.00 H new ATOM 382 N PHE A 27 58.623 11.091 10.696 1.00 0.00 N ATOM 383 CA PHE A 27 57.812 10.315 9.761 1.00 0.00 C ATOM 384 C PHE A 27 58.543 10.149 8.431 1.00 0.00 C ATOM 385 O PHE A 27 59.352 10.999 8.053 1.00 0.00 O ATOM 386 CB PHE A 27 56.466 11.009 9.509 1.00 0.00 C ATOM 387 CG PHE A 27 55.591 11.143 10.725 1.00 0.00 C ATOM 388 CD1 PHE A 27 55.728 12.223 11.583 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.618 10.195 10.998 1.00 0.00 C ATOM 390 CE1 PHE A 27 54.913 12.353 12.692 1.00 0.00 C ATOM 391 CE2 PHE A 27 53.800 10.320 12.105 1.00 0.00 C ATOM 392 CZ PHE A 27 53.948 11.401 12.953 1.00 0.00 C ATOM 0 H PHE A 27 58.575 12.100 10.551 1.00 0.00 H new ATOM 0 HA PHE A 27 57.636 9.335 10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 27 56.655 12.003 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.922 10.451 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.480 12.972 11.383 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.497 9.349 10.338 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.031 13.198 13.354 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.046 9.574 12.307 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.310 11.501 13.818 1.00 0.00 H new ATOM 402 N ILE A 28 58.258 9.059 7.725 1.00 0.00 N ATOM 403 CA ILE A 28 58.831 8.829 6.403 1.00 0.00 C ATOM 404 C ILE A 28 57.764 8.297 5.451 1.00 0.00 C ATOM 405 O ILE A 28 57.167 7.245 5.693 1.00 0.00 O ATOM 406 CB ILE A 28 60.028 7.842 6.441 1.00 0.00 C ATOM 407 CG1 ILE A 28 61.186 8.433 7.253 1.00 0.00 C ATOM 408 CG2 ILE A 28 60.490 7.503 5.026 1.00 0.00 C ATOM 409 CD1 ILE A 28 62.426 7.561 7.287 1.00 0.00 C ATOM 0 H ILE A 28 57.633 8.320 8.047 1.00 0.00 H new ATOM 0 HA ILE A 28 59.204 9.790 6.047 1.00 0.00 H new ATOM 0 HB ILE A 28 59.698 6.923 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 28 61.450 9.405 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.848 8.606 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 61.330 6.810 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 28 59.670 7.042 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 28 60.801 8.415 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 28 63.198 8.050 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 28 62.181 6.597 7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 28 62.792 7.409 6.271 1.00 0.00 H new ATOM 421 N GLU A 29 57.521 9.034 4.376 1.00 0.00 N ATOM 422 CA GLU A 29 56.531 8.640 3.383 1.00 0.00 C ATOM 423 C GLU A 29 57.063 7.496 2.522 1.00 0.00 C ATOM 424 O GLU A 29 58.240 7.481 2.150 1.00 0.00 O ATOM 425 CB GLU A 29 56.169 9.832 2.489 1.00 0.00 C ATOM 426 CG GLU A 29 55.733 11.075 3.252 1.00 0.00 C ATOM 427 CD GLU A 29 54.486 10.856 4.083 1.00 0.00 C ATOM 428 OE1 GLU A 29 53.371 10.888 3.519 1.00 0.00 O ATOM 429 OE2 GLU A 29 54.610 10.664 5.309 1.00 0.00 O ATOM 0 H GLU A 29 57.998 9.911 4.169 1.00 0.00 H new ATOM 0 HA GLU A 29 55.637 8.303 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 57.031 10.083 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 29 55.367 9.535 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 29 56.545 11.397 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 29 55.553 11.884 2.544 1.00 0.00 H new ATOM 436 N MET A 30 56.202 6.536 2.216 1.00 0.00 N ATOM 437 CA MET A 30 56.573 5.425 1.348 1.00 0.00 C ATOM 438 C MET A 30 55.558 5.276 0.222 1.00 0.00 C ATOM 439 O MET A 30 54.402 5.684 0.357 1.00 0.00 O ATOM 440 CB MET A 30 56.688 4.119 2.141 1.00 0.00 C ATOM 441 CG MET A 30 57.795 4.138 3.184 1.00 0.00 C ATOM 442 SD MET A 30 58.057 2.528 3.956 1.00 0.00 S ATOM 443 CE MET A 30 58.646 1.577 2.561 1.00 0.00 C ATOM 0 H MET A 30 55.241 6.503 2.556 1.00 0.00 H new ATOM 0 HA MET A 30 57.550 5.642 0.916 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.737 3.918 2.635 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.867 3.297 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.723 4.467 2.716 1.00 0.00 H new ATOM 0 HG3 MET A 30 57.550 4.869 3.954 1.00 0.00 H new ATOM 0 HE1 MET A 30 58.081 0.647 2.490 1.00 0.00 H new ATOM 0 HE2 MET A 30 58.513 2.153 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.704 1.350 2.696 1.00 0.00 H new ATOM 453 N LYS A 31 55.993 4.692 -0.887 1.00 0.00 N ATOM 454 CA LYS A 31 55.156 4.585 -2.075 1.00 0.00 C ATOM 455 C LYS A 31 54.912 3.124 -2.447 1.00 0.00 C ATOM 456 O LYS A 31 55.822 2.299 -2.390 1.00 0.00 O ATOM 457 CB LYS A 31 55.815 5.323 -3.245 1.00 0.00 C ATOM 458 CG LYS A 31 56.103 6.788 -2.946 1.00 0.00 C ATOM 459 CD LYS A 31 56.902 7.465 -4.056 1.00 0.00 C ATOM 460 CE LYS A 31 56.048 7.811 -5.272 1.00 0.00 C ATOM 461 NZ LYS A 31 55.663 6.616 -6.068 1.00 0.00 N ATOM 0 H LYS A 31 56.922 4.284 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 31 54.192 5.043 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.748 4.822 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 31 55.166 5.258 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.161 7.319 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 31 56.654 6.863 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 31 57.357 8.376 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.716 6.808 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.146 8.327 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 31 56.597 8.504 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 55.720 6.841 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.309 5.831 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.689 6.339 -5.830 1.00 0.00 H new ATOM 475 N ALA A 32 53.677 2.818 -2.823 1.00 0.00 N ATOM 476 CA ALA A 32 53.301 1.465 -3.221 1.00 0.00 C ATOM 477 C ALA A 32 53.435 1.290 -4.731 1.00 0.00 C ATOM 478 O ALA A 32 52.781 1.995 -5.506 1.00 0.00 O ATOM 479 CB ALA A 32 51.875 1.174 -2.780 1.00 0.00 C ATOM 0 H ALA A 32 52.913 3.493 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 32 53.975 0.759 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.601 0.163 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.804 1.263 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.197 1.888 -3.247 1.00 0.00 H new ATOM 485 N LEU A 33 54.292 0.365 -5.147 1.00 0.00 N ATOM 486 CA LEU A 33 54.505 0.104 -6.565 1.00 0.00 C ATOM 487 C LEU A 33 54.321 -1.372 -6.888 1.00 0.00 C ATOM 488 O LEU A 33 54.372 -2.228 -6.003 1.00 0.00 O ATOM 489 CB LEU A 33 55.912 0.531 -6.990 1.00 0.00 C ATOM 490 CG LEU A 33 56.222 2.021 -6.863 1.00 0.00 C ATOM 491 CD1 LEU A 33 57.661 2.289 -7.269 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.266 2.844 -7.714 1.00 0.00 C ATOM 0 H LEU A 33 54.851 -0.217 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 33 53.764 0.685 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.635 -0.023 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.063 0.235 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 33 56.089 2.317 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 33 57.873 3.354 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.333 1.727 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 57.811 1.979 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.504 3.902 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.366 2.552 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.242 2.668 -7.384 1.00 0.00 H new ATOM 504 N CYS A 34 54.100 -1.660 -8.162 1.00 0.00 N ATOM 505 CA CYS A 34 54.065 -3.032 -8.639 1.00 0.00 C ATOM 506 C CYS A 34 55.496 -3.547 -8.767 1.00 0.00 C ATOM 507 O CYS A 34 56.310 -2.934 -9.451 1.00 0.00 O ATOM 508 CB CYS A 34 53.347 -3.102 -9.992 1.00 0.00 C ATOM 509 SG CYS A 34 53.063 -4.780 -10.617 1.00 0.00 S ATOM 0 H CYS A 34 53.942 -0.958 -8.885 1.00 0.00 H new ATOM 0 HA CYS A 34 53.518 -3.655 -7.931 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.386 -2.595 -9.904 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.933 -2.550 -10.727 1.00 0.00 H new ATOM 514 N PRO A 35 55.817 -4.671 -8.110 1.00 0.00 N ATOM 515 CA PRO A 35 57.185 -5.215 -8.053 1.00 0.00 C ATOM 516 C PRO A 35 57.846 -5.346 -9.428 1.00 0.00 C ATOM 517 O PRO A 35 59.024 -5.032 -9.593 1.00 0.00 O ATOM 518 CB PRO A 35 57.003 -6.602 -7.416 1.00 0.00 C ATOM 519 CG PRO A 35 55.533 -6.860 -7.416 1.00 0.00 C ATOM 520 CD PRO A 35 54.876 -5.515 -7.364 1.00 0.00 C ATOM 0 HA PRO A 35 57.845 -4.552 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.534 -7.366 -7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 35 57.404 -6.622 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.233 -7.406 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 35 55.244 -7.468 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 35 53.889 -5.528 -7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.744 -5.167 -6.339 1.00 0.00 H new ATOM 528 N ASP A 36 57.078 -5.802 -10.409 1.00 0.00 N ATOM 529 CA ASP A 36 57.596 -6.026 -11.758 1.00 0.00 C ATOM 530 C ASP A 36 57.830 -4.718 -12.523 1.00 0.00 C ATOM 531 O ASP A 36 58.961 -4.246 -12.636 1.00 0.00 O ATOM 532 CB ASP A 36 56.649 -6.942 -12.547 1.00 0.00 C ATOM 533 CG ASP A 36 55.182 -6.671 -12.258 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.611 -5.696 -12.809 1.00 0.00 O ATOM 535 OD2 ASP A 36 54.589 -7.415 -11.464 1.00 0.00 O ATOM 0 H ASP A 36 56.089 -6.026 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 36 58.566 -6.512 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.833 -6.813 -13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.875 -7.981 -12.308 1.00 0.00 H new ATOM 540 N CYS A 37 56.756 -4.136 -13.037 1.00 0.00 N ATOM 541 CA CYS A 37 56.841 -2.959 -13.897 1.00 0.00 C ATOM 542 C CYS A 37 57.222 -1.697 -13.123 1.00 0.00 C ATOM 543 O CYS A 37 57.589 -0.687 -13.723 1.00 0.00 O ATOM 544 CB CYS A 37 55.508 -2.762 -14.623 1.00 0.00 C ATOM 545 SG CYS A 37 54.043 -3.002 -13.576 1.00 0.00 S ATOM 0 H CYS A 37 55.804 -4.463 -12.872 1.00 0.00 H new ATOM 0 HA CYS A 37 57.636 -3.132 -14.623 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.481 -1.756 -15.041 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.458 -3.457 -15.462 1.00 0.00 H new ATOM 550 N HIS A 38 57.127 -1.761 -11.796 1.00 0.00 N ATOM 551 CA HIS A 38 57.443 -0.625 -10.925 1.00 0.00 C ATOM 552 C HIS A 38 56.571 0.585 -11.241 1.00 0.00 C ATOM 553 O HIS A 38 56.936 1.727 -10.961 1.00 0.00 O ATOM 554 CB HIS A 38 58.932 -0.271 -11.005 1.00 0.00 C ATOM 555 CG HIS A 38 59.789 -1.170 -10.168 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.769 -1.990 -10.684 1.00 0.00 N ATOM 557 CD2 HIS A 38 59.800 -1.373 -8.831 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.343 -2.659 -9.701 1.00 0.00 C ATOM 559 NE2 HIS A 38 60.772 -2.301 -8.566 1.00 0.00 N ATOM 0 H HIS A 38 56.830 -2.598 -11.294 1.00 0.00 H new ATOM 0 HA HIS A 38 57.222 -0.925 -9.901 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.259 -0.328 -12.043 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.073 0.761 -10.683 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.160 -0.892 -8.106 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.143 -3.377 -9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 38 61.015 -2.658 -7.642 1.00 0.00 H new ATOM 568 N GLN A 39 55.403 0.319 -11.806 1.00 0.00 N ATOM 569 CA GLN A 39 54.422 1.356 -12.063 1.00 0.00 C ATOM 570 C GLN A 39 53.497 1.509 -10.863 1.00 0.00 C ATOM 571 O GLN A 39 53.298 0.555 -10.100 1.00 0.00 O ATOM 572 CB GLN A 39 53.608 1.031 -13.318 1.00 0.00 C ATOM 573 CG GLN A 39 54.382 1.202 -14.615 1.00 0.00 C ATOM 574 CD GLN A 39 54.867 2.627 -14.821 1.00 0.00 C ATOM 575 OE1 GLN A 39 55.981 2.983 -14.431 1.00 0.00 O ATOM 576 NE2 GLN A 39 54.030 3.454 -15.425 1.00 0.00 N ATOM 0 H GLN A 39 55.112 -0.615 -12.096 1.00 0.00 H new ATOM 0 HA GLN A 39 54.948 2.296 -12.228 1.00 0.00 H new ATOM 0 HB2 GLN A 39 53.251 0.003 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 39 52.727 1.673 -13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 39 55.238 0.527 -14.615 1.00 0.00 H new ATOM 0 HG3 GLN A 39 53.748 0.913 -15.453 1.00 0.00 H new ATOM 0 HE21 GLN A 39 53.117 3.120 -15.733 1.00 0.00 H new ATOM 0 HE22 GLN A 39 54.298 4.425 -15.583 1.00 0.00 H new ATOM 585 N PRO A 40 52.937 2.712 -10.671 1.00 0.00 N ATOM 586 CA PRO A 40 51.996 2.986 -9.583 1.00 0.00 C ATOM 587 C PRO A 40 50.750 2.116 -9.672 1.00 0.00 C ATOM 588 O PRO A 40 50.124 2.012 -10.728 1.00 0.00 O ATOM 589 CB PRO A 40 51.630 4.461 -9.773 1.00 0.00 C ATOM 590 CG PRO A 40 52.724 5.028 -10.610 1.00 0.00 C ATOM 591 CD PRO A 40 53.185 3.907 -11.494 1.00 0.00 C ATOM 0 HA PRO A 40 52.433 2.771 -8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.663 4.567 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 40 51.559 4.976 -8.815 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.367 5.871 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.540 5.397 -9.989 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.627 3.875 -12.430 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.239 4.006 -11.755 1.00 0.00 H new ATOM 599 N LEU A 41 50.406 1.485 -8.562 1.00 0.00 N ATOM 600 CA LEU A 41 49.225 0.644 -8.500 1.00 0.00 C ATOM 601 C LEU A 41 47.978 1.495 -8.310 1.00 0.00 C ATOM 602 O LEU A 41 48.005 2.505 -7.603 1.00 0.00 O ATOM 603 CB LEU A 41 49.354 -0.367 -7.358 1.00 0.00 C ATOM 604 CG LEU A 41 50.452 -1.416 -7.543 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.599 -2.261 -6.289 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.143 -2.292 -8.745 1.00 0.00 C ATOM 0 H LEU A 41 50.931 1.540 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 41 49.136 0.101 -9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.544 0.176 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.400 -0.879 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 41 51.397 -0.903 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.385 -3.002 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 41 50.861 -1.620 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.657 -2.768 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 41 50.932 -3.035 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.189 -2.797 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.086 -1.674 -9.641 1.00 0.00 H new ATOM 618 N GLN A 42 46.895 1.093 -8.955 1.00 0.00 N ATOM 619 CA GLN A 42 45.632 1.795 -8.817 1.00 0.00 C ATOM 620 C GLN A 42 44.906 1.311 -7.569 1.00 0.00 C ATOM 621 O GLN A 42 44.639 0.119 -7.416 1.00 0.00 O ATOM 622 CB GLN A 42 44.755 1.590 -10.057 1.00 0.00 C ATOM 623 CG GLN A 42 43.410 2.295 -9.966 1.00 0.00 C ATOM 624 CD GLN A 42 42.597 2.183 -11.241 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.689 3.033 -12.125 1.00 0.00 O ATOM 626 NE2 GLN A 42 41.790 1.140 -11.343 1.00 0.00 N ATOM 0 H GLN A 42 46.866 0.286 -9.578 1.00 0.00 H new ATOM 0 HA GLN A 42 45.836 2.861 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.289 1.953 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.589 0.523 -10.204 1.00 0.00 H new ATOM 0 HG2 GLN A 42 42.839 1.872 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 42 43.572 3.348 -9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 42 41.742 0.456 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 42 41.216 1.019 -12.177 1.00 0.00 H new ATOM 635 N VAL A 43 44.610 2.246 -6.682 1.00 0.00 N ATOM 636 CA VAL A 43 43.920 1.932 -5.442 1.00 0.00 C ATOM 637 C VAL A 43 42.445 1.654 -5.714 1.00 0.00 C ATOM 638 O VAL A 43 41.689 2.551 -6.085 1.00 0.00 O ATOM 639 CB VAL A 43 44.045 3.089 -4.428 1.00 0.00 C ATOM 640 CG1 VAL A 43 43.356 2.744 -3.117 1.00 0.00 C ATOM 641 CG2 VAL A 43 45.508 3.438 -4.188 1.00 0.00 C ATOM 0 H VAL A 43 44.838 3.233 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 43 44.387 1.043 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 43 43.547 3.961 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 43 43.460 3.577 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 42.298 2.554 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 43 43.815 1.853 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.574 4.256 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.030 2.566 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 43 45.968 3.742 -5.128 1.00 0.00 H new ATOM 651 N LEU A 44 42.050 0.399 -5.552 1.00 0.00 N ATOM 652 CA LEU A 44 40.662 0.012 -5.745 1.00 0.00 C ATOM 653 C LEU A 44 39.880 0.192 -4.457 1.00 0.00 C ATOM 654 O LEU A 44 40.039 -0.574 -3.504 1.00 0.00 O ATOM 655 CB LEU A 44 40.557 -1.436 -6.226 1.00 0.00 C ATOM 656 CG LEU A 44 41.167 -1.714 -7.597 1.00 0.00 C ATOM 657 CD1 LEU A 44 40.860 -3.134 -8.035 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.655 -0.720 -8.625 1.00 0.00 C ATOM 0 H LEU A 44 42.671 -0.366 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 44 40.236 0.658 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.042 -2.081 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.504 -1.718 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 44 42.248 -1.600 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.302 -3.316 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.277 -3.836 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.780 -3.271 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.103 -0.937 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.571 -0.800 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 44 40.924 0.291 -8.319 1.00 0.00 H new ATOM 670 N LYS A 45 39.050 1.218 -4.432 1.00 0.00 N ATOM 671 CA LYS A 45 38.243 1.522 -3.265 1.00 0.00 C ATOM 672 C LYS A 45 36.864 0.900 -3.395 1.00 0.00 C ATOM 673 O LYS A 45 35.961 1.480 -4.002 1.00 0.00 O ATOM 674 CB LYS A 45 38.127 3.038 -3.090 1.00 0.00 C ATOM 675 CG LYS A 45 39.458 3.713 -2.799 1.00 0.00 C ATOM 676 CD LYS A 45 39.905 3.483 -1.364 1.00 0.00 C ATOM 677 CE LYS A 45 38.977 4.176 -0.378 1.00 0.00 C ATOM 678 NZ LYS A 45 39.432 4.015 1.025 1.00 0.00 N ATOM 0 H LYS A 45 38.917 1.860 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 45 38.729 1.101 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 45 37.699 3.470 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 37.434 3.251 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 45 40.217 3.331 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 45 39.371 4.783 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 45 39.928 2.413 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 45 40.921 3.855 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 38.919 5.237 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 45 37.971 3.770 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 38.771 4.503 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 39.463 3.004 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 40.382 4.426 1.131 1.00 0.00 H new ATOM 692 N ALA A 46 36.713 -0.297 -2.851 1.00 0.00 N ATOM 693 CA ALA A 46 35.441 -0.995 -2.890 1.00 0.00 C ATOM 694 C ALA A 46 34.683 -0.776 -1.590 1.00 0.00 C ATOM 695 O ALA A 46 35.134 -0.031 -0.714 1.00 0.00 O ATOM 696 CB ALA A 46 35.657 -2.480 -3.144 1.00 0.00 C ATOM 0 H ALA A 46 37.459 -0.806 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 46 34.845 -0.593 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.693 -2.989 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 36.165 -2.616 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.268 -2.901 -2.345 1.00 0.00 H new ATOM 702 N CYS A 47 33.534 -1.418 -1.461 1.00 0.00 N ATOM 703 CA CYS A 47 32.731 -1.294 -0.258 1.00 0.00 C ATOM 704 C CYS A 47 33.231 -2.245 0.827 1.00 0.00 C ATOM 705 O CYS A 47 32.712 -3.347 0.997 1.00 0.00 O ATOM 706 CB CYS A 47 31.256 -1.556 -0.575 1.00 0.00 C ATOM 707 SG CYS A 47 30.962 -3.059 -1.541 1.00 0.00 S ATOM 0 H CYS A 47 33.137 -2.030 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 47 32.827 -0.276 0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 47 30.701 -1.624 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.856 -0.702 -1.121 1.00 0.00 H new ATOM 0 HG CYS A 47 29.687 -3.194 -1.756 1.00 0.00 H new ATOM 713 N GLY A 48 34.270 -1.829 1.535 1.00 0.00 N ATOM 714 CA GLY A 48 34.787 -2.630 2.624 1.00 0.00 C ATOM 715 C GLY A 48 36.258 -2.959 2.469 1.00 0.00 C ATOM 716 O GLY A 48 37.010 -2.940 3.444 1.00 0.00 O ATOM 0 H GLY A 48 34.764 -0.951 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 48 34.636 -2.098 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.218 -3.557 2.688 1.00 0.00 H new ATOM 720 N ALA A 49 36.683 -3.234 1.243 1.00 0.00 N ATOM 721 CA ALA A 49 38.045 -3.690 1.007 1.00 0.00 C ATOM 722 C ALA A 49 38.760 -2.830 -0.029 1.00 0.00 C ATOM 723 O ALA A 49 38.147 -2.324 -0.971 1.00 0.00 O ATOM 724 CB ALA A 49 38.041 -5.145 0.566 1.00 0.00 C ATOM 0 H ALA A 49 36.110 -3.150 0.404 1.00 0.00 H new ATOM 0 HA ALA A 49 38.591 -3.597 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 49 39.065 -5.475 0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 49 37.588 -5.760 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 49 37.467 -5.244 -0.355 1.00 0.00 H new ATOM 730 N VAL A 50 40.061 -2.670 0.162 1.00 0.00 N ATOM 731 CA VAL A 50 40.899 -1.921 -0.763 1.00 0.00 C ATOM 732 C VAL A 50 41.945 -2.846 -1.375 1.00 0.00 C ATOM 733 O VAL A 50 42.649 -3.558 -0.651 1.00 0.00 O ATOM 734 CB VAL A 50 41.612 -0.746 -0.056 1.00 0.00 C ATOM 735 CG1 VAL A 50 42.520 0.003 -1.020 1.00 0.00 C ATOM 736 CG2 VAL A 50 40.596 0.199 0.563 1.00 0.00 C ATOM 0 H VAL A 50 40.565 -3.055 0.961 1.00 0.00 H new ATOM 0 HA VAL A 50 40.255 -1.514 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 50 42.233 -1.158 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.009 0.824 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.275 -0.678 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 50 41.927 0.400 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 50 41.116 1.020 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 50 39.947 0.597 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 50 39.995 -0.341 1.294 1.00 0.00 H new ATOM 746 N ASP A 51 42.036 -2.852 -2.696 1.00 0.00 N ATOM 747 CA ASP A 51 43.008 -3.689 -3.386 1.00 0.00 C ATOM 748 C ASP A 51 43.875 -2.858 -4.316 1.00 0.00 C ATOM 749 O ASP A 51 43.578 -1.694 -4.589 1.00 0.00 O ATOM 750 CB ASP A 51 42.322 -4.814 -4.166 1.00 0.00 C ATOM 751 CG ASP A 51 41.904 -5.962 -3.271 1.00 0.00 C ATOM 752 OD1 ASP A 51 42.795 -6.650 -2.728 1.00 0.00 O ATOM 753 OD2 ASP A 51 40.683 -6.182 -3.101 1.00 0.00 O ATOM 0 H ASP A 51 41.450 -2.288 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 51 43.646 -4.142 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.445 -4.417 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.999 -5.184 -4.936 1.00 0.00 H new ATOM 758 N TYR A 52 44.946 -3.467 -4.801 1.00 0.00 N ATOM 759 CA TYR A 52 45.916 -2.774 -5.630 1.00 0.00 C ATOM 760 C TYR A 52 45.906 -3.347 -7.043 1.00 0.00 C ATOM 761 O TYR A 52 46.252 -4.510 -7.256 1.00 0.00 O ATOM 762 CB TYR A 52 47.311 -2.900 -5.009 1.00 0.00 C ATOM 763 CG TYR A 52 47.353 -2.507 -3.545 1.00 0.00 C ATOM 764 CD1 TYR A 52 47.571 -1.188 -3.160 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.160 -3.456 -2.549 1.00 0.00 C ATOM 766 CE1 TYR A 52 47.594 -0.831 -1.823 1.00 0.00 C ATOM 767 CE2 TYR A 52 47.184 -3.107 -1.213 1.00 0.00 C ATOM 768 CZ TYR A 52 47.401 -1.794 -0.854 1.00 0.00 C ATOM 769 OH TYR A 52 47.414 -1.440 0.478 1.00 0.00 O ATOM 0 H TYR A 52 45.165 -4.449 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 52 45.650 -1.718 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.655 -3.929 -5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.007 -2.274 -5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 52 47.725 -0.432 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 52 46.988 -4.486 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 52 47.762 0.197 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 52 47.033 -3.859 -0.453 1.00 0.00 H new ATOM 0 HH TYR A 52 47.262 -2.236 1.029 1.00 0.00 H new ATOM 779 N PHE A 53 45.493 -2.532 -7.998 1.00 0.00 N ATOM 780 CA PHE A 53 45.360 -2.973 -9.380 1.00 0.00 C ATOM 781 C PHE A 53 46.549 -2.509 -10.214 1.00 0.00 C ATOM 782 O PHE A 53 46.923 -1.337 -10.181 1.00 0.00 O ATOM 783 CB PHE A 53 44.053 -2.432 -9.972 1.00 0.00 C ATOM 784 CG PHE A 53 43.715 -2.989 -11.325 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.094 -4.222 -11.441 1.00 0.00 C ATOM 786 CD2 PHE A 53 44.013 -2.281 -12.478 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.777 -4.739 -12.679 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.699 -2.794 -13.722 1.00 0.00 C ATOM 789 CZ PHE A 53 43.081 -4.025 -13.823 1.00 0.00 C ATOM 0 H PHE A 53 45.242 -1.556 -7.843 1.00 0.00 H new ATOM 0 HA PHE A 53 45.339 -4.063 -9.398 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.236 -2.654 -9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 53 44.122 -1.347 -10.045 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.855 -4.785 -10.551 1.00 0.00 H new ATOM 0 HD2 PHE A 53 44.496 -1.318 -12.404 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.292 -5.701 -12.755 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.936 -2.233 -14.614 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.836 -4.429 -14.794 1.00 0.00 H new ATOM 799 N CYS A 54 47.141 -3.430 -10.961 1.00 0.00 N ATOM 800 CA CYS A 54 48.250 -3.088 -11.838 1.00 0.00 C ATOM 801 C CYS A 54 47.709 -2.635 -13.184 1.00 0.00 C ATOM 802 O CYS A 54 47.483 -3.451 -14.084 1.00 0.00 O ATOM 803 CB CYS A 54 49.192 -4.289 -12.010 1.00 0.00 C ATOM 804 SG CYS A 54 50.622 -3.992 -13.099 1.00 0.00 S ATOM 0 H CYS A 54 46.873 -4.414 -10.977 1.00 0.00 H new ATOM 0 HA CYS A 54 48.822 -2.274 -11.391 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.558 -4.589 -11.028 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.620 -5.127 -12.407 1.00 0.00 H new ATOM 809 N GLN A 55 47.458 -1.330 -13.295 1.00 0.00 N ATOM 810 CA GLN A 55 46.956 -0.757 -14.530 1.00 0.00 C ATOM 811 C GLN A 55 48.022 -0.844 -15.611 1.00 0.00 C ATOM 812 O GLN A 55 48.918 -0.004 -15.700 1.00 0.00 O ATOM 813 CB GLN A 55 46.503 0.695 -14.311 1.00 0.00 C ATOM 814 CG GLN A 55 46.029 1.385 -15.581 1.00 0.00 C ATOM 815 CD GLN A 55 45.199 2.622 -15.298 1.00 0.00 C ATOM 816 OE1 GLN A 55 43.973 2.551 -15.216 1.00 0.00 O ATOM 817 NE2 GLN A 55 45.858 3.757 -15.132 1.00 0.00 N ATOM 0 H GLN A 55 47.596 -0.656 -12.542 1.00 0.00 H new ATOM 0 HA GLN A 55 46.086 -1.327 -14.857 1.00 0.00 H new ATOM 0 HB2 GLN A 55 45.696 0.708 -13.578 1.00 0.00 H new ATOM 0 HB3 GLN A 55 47.330 1.264 -13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 55 46.894 1.662 -16.184 1.00 0.00 H new ATOM 0 HG3 GLN A 55 45.440 0.684 -16.173 1.00 0.00 H new ATOM 0 HE21 GLN A 55 46.875 3.772 -15.208 1.00 0.00 H new ATOM 0 HE22 GLN A 55 45.349 4.617 -14.928 1.00 0.00 H new ATOM 826 N HIS A 56 47.917 -1.905 -16.402 1.00 0.00 N ATOM 827 CA HIS A 56 48.882 -2.234 -17.444 1.00 0.00 C ATOM 828 C HIS A 56 48.537 -3.604 -18.001 1.00 0.00 C ATOM 829 O HIS A 56 48.599 -3.837 -19.205 1.00 0.00 O ATOM 830 CB HIS A 56 50.308 -2.269 -16.896 1.00 0.00 C ATOM 831 CG HIS A 56 51.241 -1.292 -17.541 1.00 0.00 C ATOM 832 ND1 HIS A 56 51.275 -1.051 -18.897 1.00 0.00 N ATOM 833 CD2 HIS A 56 52.192 -0.498 -16.998 1.00 0.00 C ATOM 834 CE1 HIS A 56 52.210 -0.155 -19.157 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.783 0.198 -18.022 1.00 0.00 N ATOM 0 H HIS A 56 47.147 -2.571 -16.337 1.00 0.00 H new ATOM 0 HA HIS A 56 48.834 -1.468 -18.218 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.278 -2.071 -15.825 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.709 -3.275 -17.023 1.00 0.00 H new ATOM 0 HD2 HIS A 56 52.441 -0.425 -15.950 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.463 0.225 -20.136 1.00 0.00 H new ATOM 0 HE2 HIS A 56 53.539 0.875 -17.923 1.00 0.00 H new ATOM 844 N GLY A 57 48.172 -4.504 -17.096 1.00 0.00 N ATOM 845 CA GLY A 57 47.785 -5.843 -17.491 1.00 0.00 C ATOM 846 C GLY A 57 48.349 -6.910 -16.574 1.00 0.00 C ATOM 847 O GLY A 57 48.885 -7.911 -17.040 1.00 0.00 O ATOM 0 H GLY A 57 48.137 -4.328 -16.092 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.697 -5.915 -17.499 1.00 0.00 H new ATOM 0 HA3 GLY A 57 48.124 -6.029 -18.510 1.00 0.00 H new ATOM 851 N HIS A 58 48.245 -6.698 -15.265 1.00 0.00 N ATOM 852 CA HIS A 58 48.695 -7.701 -14.300 1.00 0.00 C ATOM 853 C HIS A 58 47.594 -8.036 -13.302 1.00 0.00 C ATOM 854 O HIS A 58 47.773 -8.876 -12.424 1.00 0.00 O ATOM 855 CB HIS A 58 49.951 -7.238 -13.552 1.00 0.00 C ATOM 856 CG HIS A 58 51.200 -7.271 -14.379 1.00 0.00 C ATOM 857 ND1 HIS A 58 52.256 -6.380 -14.209 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.567 -8.106 -15.382 1.00 0.00 C ATOM 859 CE1 HIS A 58 53.208 -6.685 -15.095 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.812 -7.720 -15.804 1.00 0.00 N ATOM 0 H HIS A 58 47.858 -5.851 -14.850 1.00 0.00 H new ATOM 0 HA HIS A 58 48.942 -8.599 -14.866 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.793 -6.221 -13.192 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.092 -7.869 -12.674 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.985 -8.926 -15.776 1.00 0.00 H new ATOM 0 HE1 HIS A 58 54.149 -6.167 -15.210 1.00 0.00 H new ATOM 0 HE2 HIS A 58 53.347 -8.165 -16.550 1.00 0.00 H new ATOM 868 N GLY A 59 46.455 -7.373 -13.446 1.00 0.00 N ATOM 869 CA GLY A 59 45.332 -7.637 -12.571 1.00 0.00 C ATOM 870 C GLY A 59 45.554 -7.097 -11.176 1.00 0.00 C ATOM 871 O GLY A 59 46.025 -5.970 -11.007 1.00 0.00 O ATOM 0 H GLY A 59 46.289 -6.657 -14.153 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.432 -7.189 -12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.159 -8.712 -12.519 1.00 0.00 H new ATOM 875 N LEU A 60 45.227 -7.902 -10.180 1.00 0.00 N ATOM 876 CA LEU A 60 45.367 -7.493 -8.794 1.00 0.00 C ATOM 877 C LEU A 60 46.673 -7.995 -8.205 1.00 0.00 C ATOM 878 O LEU A 60 47.024 -9.170 -8.343 1.00 0.00 O ATOM 879 CB LEU A 60 44.197 -8.010 -7.959 1.00 0.00 C ATOM 880 CG LEU A 60 42.849 -7.364 -8.264 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.761 -7.962 -7.389 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.931 -5.861 -8.059 1.00 0.00 C ATOM 0 H LEU A 60 44.861 -8.846 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 60 45.369 -6.403 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.110 -9.086 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.427 -7.855 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 60 42.596 -7.561 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.807 -7.489 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.690 -9.033 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 60 42.004 -7.794 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.963 -5.410 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.203 -5.649 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.686 -5.444 -8.725 1.00 0.00 H new ATOM 894 N ILE A 61 47.382 -7.094 -7.548 1.00 0.00 N ATOM 895 CA ILE A 61 48.607 -7.439 -6.853 1.00 0.00 C ATOM 896 C ILE A 61 48.293 -7.710 -5.391 1.00 0.00 C ATOM 897 O ILE A 61 47.625 -6.905 -4.737 1.00 0.00 O ATOM 898 CB ILE A 61 49.656 -6.307 -6.958 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.958 -5.993 -8.427 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.937 -6.678 -6.220 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.500 -7.171 -9.209 1.00 0.00 C ATOM 0 H ILE A 61 47.126 -6.109 -7.482 1.00 0.00 H new ATOM 0 HA ILE A 61 49.027 -8.330 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 61 49.240 -5.416 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 61 49.046 -5.640 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.679 -5.177 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.657 -5.865 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.714 -6.850 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.358 -7.585 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.688 -6.868 -10.239 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.430 -7.512 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.772 -7.982 -9.197 1.00 0.00 H new ATOM 913 N SER A 62 48.747 -8.853 -4.892 1.00 0.00 N ATOM 914 CA SER A 62 48.521 -9.220 -3.504 1.00 0.00 C ATOM 915 C SER A 62 49.074 -8.145 -2.568 1.00 0.00 C ATOM 916 O SER A 62 50.124 -7.557 -2.838 1.00 0.00 O ATOM 917 CB SER A 62 49.158 -10.580 -3.217 1.00 0.00 C ATOM 918 OG SER A 62 48.660 -11.562 -4.112 1.00 0.00 O ATOM 0 H SER A 62 49.274 -9.541 -5.430 1.00 0.00 H new ATOM 0 HA SER A 62 47.448 -9.296 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 62 50.241 -10.508 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 62 48.948 -10.877 -2.189 1.00 0.00 H new ATOM 0 HG SER A 62 49.079 -12.426 -3.916 1.00 0.00 H new ATOM 924 N LYS A 63 48.361 -7.900 -1.475 1.00 0.00 N ATOM 925 CA LYS A 63 48.659 -6.787 -0.575 1.00 0.00 C ATOM 926 C LYS A 63 50.089 -6.851 -0.040 1.00 0.00 C ATOM 927 O LYS A 63 50.758 -5.827 0.089 1.00 0.00 O ATOM 928 CB LYS A 63 47.667 -6.775 0.590 1.00 0.00 C ATOM 929 CG LYS A 63 46.209 -6.837 0.154 1.00 0.00 C ATOM 930 CD LYS A 63 45.271 -6.754 1.345 1.00 0.00 C ATOM 931 CE LYS A 63 43.843 -7.106 0.963 1.00 0.00 C ATOM 932 NZ LYS A 63 43.304 -6.224 -0.107 1.00 0.00 N ATOM 0 H LYS A 63 47.562 -8.464 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 63 48.562 -5.866 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 47.878 -7.621 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 47.823 -5.871 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.998 -6.019 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.029 -7.765 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.616 -7.431 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.299 -5.747 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.805 -8.143 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 43.206 -7.033 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.307 -6.006 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 43.852 -5.341 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 43.376 -6.708 -1.025 1.00 0.00 H new ATOM 946 N LYS A 64 50.562 -8.055 0.252 1.00 0.00 N ATOM 947 CA LYS A 64 51.900 -8.230 0.808 1.00 0.00 C ATOM 948 C LYS A 64 52.945 -8.276 -0.308 1.00 0.00 C ATOM 949 O LYS A 64 54.148 -8.227 -0.051 1.00 0.00 O ATOM 950 CB LYS A 64 51.966 -9.512 1.643 1.00 0.00 C ATOM 951 CG LYS A 64 53.174 -9.578 2.571 1.00 0.00 C ATOM 952 CD LYS A 64 53.233 -10.894 3.329 1.00 0.00 C ATOM 953 CE LYS A 64 53.651 -12.045 2.427 1.00 0.00 C ATOM 954 NZ LYS A 64 55.073 -11.936 2.009 1.00 0.00 N ATOM 0 H LYS A 64 50.043 -8.922 0.115 1.00 0.00 H new ATOM 0 HA LYS A 64 52.117 -7.378 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 64 51.057 -9.594 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 64 51.987 -10.371 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 64 54.087 -9.453 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 64 53.133 -8.752 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 64 53.937 -10.806 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 64 52.256 -11.108 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 64 53.498 -12.989 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 64 53.014 -12.063 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 55.395 -12.850 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 55.164 -11.207 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 55.657 -11.674 2.829 1.00 0.00 H new ATOM 968 N ARG A 65 52.477 -8.354 -1.544 1.00 0.00 N ATOM 969 CA ARG A 65 53.363 -8.463 -2.696 1.00 0.00 C ATOM 970 C ARG A 65 53.738 -7.079 -3.214 1.00 0.00 C ATOM 971 O ARG A 65 54.696 -6.927 -3.974 1.00 0.00 O ATOM 972 CB ARG A 65 52.689 -9.279 -3.800 1.00 0.00 C ATOM 973 CG ARG A 65 53.592 -9.587 -4.982 1.00 0.00 C ATOM 974 CD ARG A 65 52.849 -10.370 -6.046 1.00 0.00 C ATOM 975 NE ARG A 65 53.714 -10.759 -7.154 1.00 0.00 N ATOM 976 CZ ARG A 65 53.385 -11.680 -8.056 1.00 0.00 C ATOM 977 NH1 ARG A 65 52.208 -12.293 -7.979 1.00 0.00 N ATOM 978 NH2 ARG A 65 54.223 -11.978 -9.039 1.00 0.00 N ATOM 0 H ARG A 65 51.484 -8.344 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 65 54.275 -8.973 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.330 -10.217 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 65 51.814 -8.735 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 65 53.970 -8.657 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 65 54.457 -10.157 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 65 52.413 -11.263 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.024 -9.768 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 65 54.621 -10.300 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 65 51.558 -12.057 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 65 51.955 -12.999 -8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 65 55.122 -11.501 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 65 53.969 -12.684 -9.729 1.00 0.00 H new ATOM 992 N VAL A 66 52.976 -6.074 -2.795 1.00 0.00 N ATOM 993 CA VAL A 66 53.239 -4.694 -3.184 1.00 0.00 C ATOM 994 C VAL A 66 54.640 -4.278 -2.751 1.00 0.00 C ATOM 995 O VAL A 66 55.027 -4.484 -1.600 1.00 0.00 O ATOM 996 CB VAL A 66 52.212 -3.722 -2.560 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.527 -2.284 -2.942 1.00 0.00 C ATOM 998 CG2 VAL A 66 50.802 -4.085 -2.987 1.00 0.00 C ATOM 0 H VAL A 66 52.168 -6.191 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 66 53.155 -4.643 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 66 52.279 -3.812 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 51.791 -1.618 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.522 -2.022 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.494 -2.180 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 50.095 -3.388 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 66 50.725 -4.029 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 50.572 -5.099 -2.659 1.00 0.00 H new ATOM 1008 N GLU A 67 55.399 -3.715 -3.678 1.00 0.00 N ATOM 1009 CA GLU A 67 56.742 -3.266 -3.376 1.00 0.00 C ATOM 1010 C GLU A 67 56.696 -1.836 -2.854 1.00 0.00 C ATOM 1011 O GLU A 67 56.381 -0.902 -3.594 1.00 0.00 O ATOM 1012 CB GLU A 67 57.634 -3.361 -4.618 1.00 0.00 C ATOM 1013 CG GLU A 67 59.115 -3.222 -4.311 1.00 0.00 C ATOM 1014 CD GLU A 67 59.988 -3.416 -5.533 1.00 0.00 C ATOM 1015 OE1 GLU A 67 59.946 -4.510 -6.134 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.744 -2.485 -5.885 1.00 0.00 O ATOM 0 H GLU A 67 55.106 -3.560 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 67 57.169 -3.910 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.461 -4.319 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.343 -2.584 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.303 -2.235 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.394 -3.952 -3.551 1.00 0.00 H new ATOM 1023 N PHE A 68 56.972 -1.681 -1.570 1.00 0.00 N ATOM 1024 CA PHE A 68 56.937 -0.377 -0.929 1.00 0.00 C ATOM 1025 C PHE A 68 58.309 0.279 -0.987 1.00 0.00 C ATOM 1026 O PHE A 68 59.260 -0.186 -0.354 1.00 0.00 O ATOM 1027 CB PHE A 68 56.477 -0.502 0.525 1.00 0.00 C ATOM 1028 CG PHE A 68 55.079 -1.032 0.681 1.00 0.00 C ATOM 1029 CD1 PHE A 68 53.988 -0.186 0.568 1.00 0.00 C ATOM 1030 CD2 PHE A 68 54.856 -2.375 0.946 1.00 0.00 C ATOM 1031 CE1 PHE A 68 52.701 -0.667 0.717 1.00 0.00 C ATOM 1032 CE2 PHE A 68 53.572 -2.862 1.095 1.00 0.00 C ATOM 1033 CZ PHE A 68 52.493 -2.007 0.980 1.00 0.00 C ATOM 0 H PHE A 68 57.225 -2.448 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 68 56.224 0.248 -1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.165 -1.159 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 68 56.538 0.477 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.145 0.862 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 68 55.696 -3.048 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 68 51.859 0.004 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 68 53.412 -3.910 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 68 51.488 -2.386 1.096 1.00 0.00 H new ATOM 1043 N VAL A 69 58.406 1.348 -1.755 1.00 0.00 N ATOM 1044 CA VAL A 69 59.660 2.067 -1.914 1.00 0.00 C ATOM 1045 C VAL A 69 59.644 3.364 -1.111 1.00 0.00 C ATOM 1046 O VAL A 69 58.597 3.775 -0.605 1.00 0.00 O ATOM 1047 CB VAL A 69 59.942 2.387 -3.396 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.017 1.108 -4.219 1.00 0.00 C ATOM 1049 CG2 VAL A 69 58.882 3.323 -3.958 1.00 0.00 C ATOM 0 H VAL A 69 57.627 1.741 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 69 60.453 1.420 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 69 60.907 2.890 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.217 1.357 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 69 60.819 0.476 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.069 0.574 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.101 3.535 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 69 57.902 2.851 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.882 4.254 -3.392 1.00 0.00 H new ATOM 1059 N LEU A 70 60.798 4.002 -0.999 1.00 0.00 N ATOM 1060 CA LEU A 70 60.913 5.254 -0.262 1.00 0.00 C ATOM 1061 C LEU A 70 60.478 6.430 -1.132 1.00 0.00 C ATOM 1062 O LEU A 70 60.630 6.396 -2.354 1.00 0.00 O ATOM 1063 CB LEU A 70 62.355 5.462 0.208 1.00 0.00 C ATOM 1064 CG LEU A 70 62.898 4.385 1.149 1.00 0.00 C ATOM 1065 CD1 LEU A 70 64.363 4.647 1.463 1.00 0.00 C ATOM 1066 CD2 LEU A 70 62.077 4.331 2.429 1.00 0.00 C ATOM 0 H LEU A 70 61.672 3.674 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 70 60.259 5.200 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 70 63.001 5.515 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.420 6.427 0.711 1.00 0.00 H new ATOM 0 HG LEU A 70 62.819 3.418 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 70 64.736 3.873 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 70 64.941 4.636 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 70 64.464 5.621 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 70 62.478 3.559 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 70 62.124 5.297 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 70 61.040 4.098 2.187 1.00 0.00 H new ATOM 1078 N ALA A 71 59.925 7.457 -0.503 1.00 0.00 N ATOM 1079 CA ALA A 71 59.526 8.662 -1.211 1.00 0.00 C ATOM 1080 C ALA A 71 60.594 9.738 -1.068 1.00 0.00 C ATOM 1081 O ALA A 71 60.587 10.452 -0.045 1.00 0.00 O ATOM 1082 CB ALA A 71 58.188 9.165 -0.694 1.00 0.00 C ATOM 1083 OXT ALA A 71 61.450 9.850 -1.970 1.00 0.00 O ATOM 0 H ALA A 71 59.742 7.478 0.500 1.00 0.00 H new ATOM 0 HA ALA A 71 59.416 8.423 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.905 10.068 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.428 8.398 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 71 58.270 9.390 0.369 1.00 0.00 H new TER 1089 ALA A 71 HETATM 1090 ZN ZN A 150 64.663 7.591 11.791 1.00 0.00 ZN HETATM 1091 ZN ZN A 200 52.831 -4.936 -12.814 1.00 0.00 ZN