USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 84 GLN : amide:sc= 0.462 X(o=0.97,f=0.67) USER MOD Set 1.2: A 86 THR OG1 : rot 56:sc= 0.51 USER MOD Set 2.1: A 67 THR OG1 : rot 134:sc= 1.22 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 1.09 USER MOD Set 2.3: A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0193 (180deg=-0.304) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.469 (180deg=0.442) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00878 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 12 HIS : no HE2:sc= 0.178 K(o=0.18,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.066) USER MOD Single : A 22 ASN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.26) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 1.33 (180deg=1.21) USER MOD Single : A 32 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.084) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 157:sc= -0.11 (180deg=-1.09) USER MOD Single : A 40 ASN : amide:sc= -0.091 X(o=-0.091,f=-0.29) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -9:sc= 0.07 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -149:sc= -0.157 (180deg=-1.78!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 65 ASN : amide:sc= -0.0913 K(o=-0.091,f=-1.4) USER MOD Single : A 73 MET CE :methyl 164:sc= -0.0849 (180deg=-0.519) USER MOD Single : A 78 THR OG1 : rot 39:sc= 0.607 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 1.14 K(o=1.1,f=-0.098) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.223 -10.242 -22.604 1.00 0.00 N ATOM 2 CA MET A 1 4.119 -9.105 -23.570 1.00 0.00 C ATOM 3 C MET A 1 3.626 -9.663 -24.886 1.00 0.00 C ATOM 4 O MET A 1 2.422 -9.783 -25.092 1.00 0.00 O ATOM 5 CB MET A 1 5.480 -8.360 -23.685 1.00 0.00 C ATOM 6 CG MET A 1 5.401 -7.056 -24.509 1.00 0.00 C ATOM 7 SD MET A 1 6.994 -6.224 -24.796 1.00 0.00 S ATOM 8 CE MET A 1 7.385 -5.800 -23.076 1.00 0.00 C ATOM 0 H1 MET A 1 4.702 -9.920 -21.739 1.00 0.00 H new ATOM 0 H2 MET A 1 3.270 -10.583 -22.366 1.00 0.00 H new ATOM 0 H3 MET A 1 4.770 -11.015 -23.035 1.00 0.00 H new ATOM 0 HA MET A 1 3.406 -8.355 -23.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.843 -8.126 -22.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.212 -9.026 -24.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.948 -7.282 -25.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.734 -6.362 -23.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.196 -5.072 -23.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.503 -5.375 -22.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.692 -6.699 -22.540 1.00 0.00 H new ATOM 20 N SER A 2 4.555 -10.115 -25.748 1.00 0.00 N ATOM 21 CA SER A 2 4.310 -10.872 -26.964 1.00 0.00 C ATOM 22 C SER A 2 3.836 -12.298 -26.683 1.00 0.00 C ATOM 23 O SER A 2 2.854 -12.533 -25.977 1.00 0.00 O ATOM 24 CB SER A 2 5.630 -10.881 -27.791 1.00 0.00 C ATOM 25 OG SER A 2 6.735 -11.347 -26.998 1.00 0.00 O ATOM 0 H SER A 2 5.549 -9.946 -25.595 1.00 0.00 H new ATOM 0 HA SER A 2 3.504 -10.395 -27.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.511 -11.521 -28.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.840 -9.876 -28.158 1.00 0.00 H new ATOM 0 HG SER A 2 7.551 -11.345 -27.541 1.00 0.00 H new ATOM 31 N ASP A 3 4.538 -13.298 -27.227 1.00 0.00 N ATOM 32 CA ASP A 3 4.308 -14.707 -27.054 1.00 0.00 C ATOM 33 C ASP A 3 4.823 -15.170 -25.691 1.00 0.00 C ATOM 34 O ASP A 3 4.211 -15.993 -25.007 1.00 0.00 O ATOM 35 CB ASP A 3 5.034 -15.473 -28.192 1.00 0.00 C ATOM 36 CG ASP A 3 4.742 -14.838 -29.539 1.00 0.00 C ATOM 37 OD1 ASP A 3 5.352 -13.775 -29.835 1.00 0.00 O ATOM 38 OD2 ASP A 3 3.927 -15.393 -30.305 1.00 0.00 O ATOM 0 H ASP A 3 5.333 -13.114 -27.839 1.00 0.00 H new ATOM 0 HA ASP A 3 3.238 -14.910 -27.096 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.109 -15.472 -28.009 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.713 -16.515 -28.198 1.00 0.00 H new ATOM 43 N GLU A 4 5.976 -14.618 -25.250 1.00 0.00 N ATOM 44 CA GLU A 4 6.538 -14.908 -23.943 1.00 0.00 C ATOM 45 C GLU A 4 5.954 -14.041 -22.826 1.00 0.00 C ATOM 46 O GLU A 4 5.594 -12.863 -22.968 1.00 0.00 O ATOM 47 CB GLU A 4 8.094 -14.807 -23.880 1.00 0.00 C ATOM 48 CG GLU A 4 8.846 -15.996 -24.541 1.00 0.00 C ATOM 49 CD GLU A 4 10.274 -16.153 -24.022 1.00 0.00 C ATOM 50 OE1 GLU A 4 10.452 -16.213 -22.778 1.00 0.00 O ATOM 51 OE2 GLU A 4 11.240 -16.212 -24.832 1.00 0.00 O ATOM 0 H GLU A 4 6.530 -13.962 -25.801 1.00 0.00 H new ATOM 0 HA GLU A 4 6.253 -15.947 -23.781 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.405 -13.882 -24.366 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.399 -14.737 -22.836 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.294 -16.917 -24.357 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.870 -15.850 -25.621 1.00 0.00 H new ATOM 58 N LYS A 5 5.903 -14.639 -21.621 1.00 0.00 N ATOM 59 CA LYS A 5 5.655 -13.956 -20.371 1.00 0.00 C ATOM 60 C LYS A 5 6.935 -13.260 -19.909 1.00 0.00 C ATOM 61 O LYS A 5 7.684 -13.756 -19.071 1.00 0.00 O ATOM 62 CB LYS A 5 5.196 -14.962 -19.280 1.00 0.00 C ATOM 63 CG LYS A 5 3.925 -15.782 -19.583 1.00 0.00 C ATOM 64 CD LYS A 5 2.585 -15.114 -19.199 1.00 0.00 C ATOM 65 CE LYS A 5 1.909 -14.294 -20.307 1.00 0.00 C ATOM 66 NZ LYS A 5 0.572 -13.859 -19.860 1.00 0.00 N ATOM 0 H LYS A 5 6.040 -15.643 -21.504 1.00 0.00 H new ATOM 0 HA LYS A 5 4.866 -13.221 -20.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.014 -15.658 -19.094 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.032 -14.409 -18.355 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.905 -16.005 -20.650 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.997 -16.735 -19.059 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.893 -15.891 -18.873 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.757 -14.461 -18.343 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.520 -13.426 -20.555 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.823 -14.892 -21.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.118 -13.304 -20.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.011 -14.693 -19.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.665 -13.273 -19.006 1.00 0.00 H new ATOM 80 N LYS A 6 7.225 -12.069 -20.466 1.00 0.00 N ATOM 81 CA LYS A 6 8.344 -11.232 -20.083 1.00 0.00 C ATOM 82 C LYS A 6 8.119 -10.616 -18.710 1.00 0.00 C ATOM 83 O LYS A 6 7.600 -9.507 -18.571 1.00 0.00 O ATOM 84 CB LYS A 6 8.571 -10.094 -21.116 1.00 0.00 C ATOM 85 CG LYS A 6 9.010 -10.562 -22.515 1.00 0.00 C ATOM 86 CD LYS A 6 10.416 -11.182 -22.506 1.00 0.00 C ATOM 87 CE LYS A 6 10.976 -11.460 -23.903 1.00 0.00 C ATOM 88 NZ LYS A 6 12.282 -12.129 -23.789 1.00 0.00 N ATOM 0 H LYS A 6 6.663 -11.664 -21.215 1.00 0.00 H new ATOM 0 HA LYS A 6 9.227 -11.870 -20.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.648 -9.523 -21.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.326 -9.413 -20.724 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.295 -11.293 -22.892 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.993 -9.715 -23.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.095 -10.512 -21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.388 -12.115 -21.943 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.283 -12.086 -24.465 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.082 -10.526 -24.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.660 -12.317 -24.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.942 -11.516 -23.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.168 -13.028 -23.278 1.00 0.00 H new ATOM 102 N GLY A 7 8.475 -11.358 -17.652 1.00 0.00 N ATOM 103 CA GLY A 7 8.274 -10.923 -16.283 1.00 0.00 C ATOM 104 C GLY A 7 8.465 -12.057 -15.322 1.00 0.00 C ATOM 105 O GLY A 7 7.538 -12.820 -15.047 1.00 0.00 O ATOM 0 H GLY A 7 8.910 -12.277 -17.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.973 -10.121 -16.047 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.270 -10.514 -16.172 1.00 0.00 H new ATOM 109 N GLY A 8 9.676 -12.193 -14.764 1.00 0.00 N ATOM 110 CA GLY A 8 9.987 -13.173 -13.728 1.00 0.00 C ATOM 111 C GLY A 8 10.514 -12.453 -12.529 1.00 0.00 C ATOM 112 O GLY A 8 9.738 -11.984 -11.700 1.00 0.00 O ATOM 0 H GLY A 8 10.474 -11.615 -15.027 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.095 -13.741 -13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.724 -13.888 -14.093 1.00 0.00 H new ATOM 116 N GLU A 9 11.852 -12.315 -12.453 1.00 0.00 N ATOM 117 CA GLU A 9 12.575 -11.558 -11.443 1.00 0.00 C ATOM 118 C GLU A 9 12.799 -12.372 -10.165 1.00 0.00 C ATOM 119 O GLU A 9 12.773 -13.605 -10.175 1.00 0.00 O ATOM 120 CB GLU A 9 12.005 -10.118 -11.254 1.00 0.00 C ATOM 121 CG GLU A 9 12.983 -9.064 -10.684 1.00 0.00 C ATOM 122 CD GLU A 9 12.428 -7.654 -10.794 1.00 0.00 C ATOM 123 OE1 GLU A 9 11.326 -7.369 -10.262 1.00 0.00 O ATOM 124 OE2 GLU A 9 13.156 -6.812 -11.379 1.00 0.00 O ATOM 0 H GLU A 9 12.476 -12.753 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 9 13.585 -11.376 -11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.644 -9.763 -12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.141 -10.176 -10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.191 -9.291 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.931 -9.123 -11.218 1.00 0.00 H new ATOM 131 N THR A 10 13.110 -11.722 -9.031 1.00 0.00 N ATOM 132 CA THR A 10 13.433 -12.396 -7.785 1.00 0.00 C ATOM 133 C THR A 10 13.280 -11.413 -6.641 1.00 0.00 C ATOM 134 O THR A 10 13.000 -10.235 -6.863 1.00 0.00 O ATOM 135 CB THR A 10 14.810 -13.079 -7.789 1.00 0.00 C ATOM 136 OG1 THR A 10 15.013 -13.907 -6.653 1.00 0.00 O ATOM 137 CG2 THR A 10 15.960 -12.059 -7.842 1.00 0.00 C ATOM 0 H THR A 10 13.142 -10.705 -8.964 1.00 0.00 H new ATOM 0 HA THR A 10 12.729 -13.218 -7.655 1.00 0.00 H new ATOM 0 HB THR A 10 14.816 -13.694 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.901 -14.319 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.914 -12.586 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.875 -11.461 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.907 -11.406 -6.971 1.00 0.00 H new ATOM 145 N GLU A 11 13.440 -11.913 -5.400 1.00 0.00 N ATOM 146 CA GLU A 11 13.216 -11.327 -4.086 1.00 0.00 C ATOM 147 C GLU A 11 12.189 -10.201 -3.953 1.00 0.00 C ATOM 148 O GLU A 11 12.432 -9.109 -3.429 1.00 0.00 O ATOM 149 CB GLU A 11 14.567 -11.058 -3.378 1.00 0.00 C ATOM 150 CG GLU A 11 14.611 -11.544 -1.907 1.00 0.00 C ATOM 151 CD GLU A 11 14.406 -13.041 -1.756 1.00 0.00 C ATOM 152 OE1 GLU A 11 14.818 -13.839 -2.639 1.00 0.00 O ATOM 153 OE2 GLU A 11 13.831 -13.460 -0.720 1.00 0.00 O ATOM 0 H GLU A 11 13.776 -12.870 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 11 12.675 -12.100 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.363 -11.549 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.773 -9.988 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.572 -11.271 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.843 -11.021 -1.337 1.00 0.00 H new ATOM 160 N HIS A 12 10.970 -10.490 -4.437 1.00 0.00 N ATOM 161 CA HIS A 12 9.846 -9.583 -4.477 1.00 0.00 C ATOM 162 C HIS A 12 8.706 -10.080 -3.607 1.00 0.00 C ATOM 163 O HIS A 12 8.390 -11.266 -3.580 1.00 0.00 O ATOM 164 CB HIS A 12 9.348 -9.398 -5.934 1.00 0.00 C ATOM 165 CG HIS A 12 9.311 -10.674 -6.742 1.00 0.00 C ATOM 166 ND1 HIS A 12 8.626 -11.816 -6.374 1.00 0.00 N ATOM 167 CD2 HIS A 12 9.954 -10.985 -7.898 1.00 0.00 C ATOM 168 CE1 HIS A 12 8.887 -12.754 -7.315 1.00 0.00 C ATOM 169 NE2 HIS A 12 9.691 -12.298 -8.257 1.00 0.00 N ATOM 0 H HIS A 12 10.747 -11.407 -4.825 1.00 0.00 H new ATOM 0 HA HIS A 12 10.184 -8.623 -4.088 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.348 -8.966 -5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.994 -8.680 -6.439 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.036 -11.931 -5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.581 -10.306 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.485 -13.756 -7.297 1.00 0.00 H new ATOM 177 N ILE A 13 8.044 -9.164 -2.881 1.00 0.00 N ATOM 178 CA ILE A 13 6.898 -9.485 -2.044 1.00 0.00 C ATOM 179 C ILE A 13 5.597 -9.190 -2.771 1.00 0.00 C ATOM 180 O ILE A 13 5.548 -8.372 -3.688 1.00 0.00 O ATOM 181 CB ILE A 13 6.936 -8.761 -0.702 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.080 -7.228 -0.867 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.093 -9.370 0.114 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.868 -6.445 0.433 1.00 0.00 C ATOM 0 H ILE A 13 8.298 -8.176 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 13 6.951 -10.553 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 13 5.992 -8.900 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.073 -7.005 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.361 -6.883 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.153 -8.877 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.915 -10.435 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.031 -9.229 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.985 -5.379 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.865 -6.637 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.604 -6.762 1.172 1.00 0.00 H new ATOM 196 N ASN A 14 4.510 -9.885 -2.377 1.00 0.00 N ATOM 197 CA ASN A 14 3.207 -9.806 -3.011 1.00 0.00 C ATOM 198 C ASN A 14 2.264 -8.928 -2.201 1.00 0.00 C ATOM 199 O ASN A 14 1.863 -9.287 -1.096 1.00 0.00 O ATOM 200 CB ASN A 14 2.563 -11.213 -3.115 1.00 0.00 C ATOM 201 CG ASN A 14 3.361 -12.065 -4.089 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.323 -11.836 -5.301 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.085 -13.084 -3.583 1.00 0.00 N ATOM 0 H ASN A 14 4.530 -10.530 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 14 3.358 -9.382 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.540 -11.688 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.530 -11.128 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.620 -13.689 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.098 -13.250 -2.577 1.00 0.00 H new ATOM 210 N LEU A 15 1.865 -7.763 -2.745 1.00 0.00 N ATOM 211 CA LEU A 15 0.942 -6.854 -2.082 1.00 0.00 C ATOM 212 C LEU A 15 -0.479 -7.143 -2.538 1.00 0.00 C ATOM 213 O LEU A 15 -0.826 -6.947 -3.703 1.00 0.00 O ATOM 214 CB LEU A 15 1.258 -5.360 -2.372 1.00 0.00 C ATOM 215 CG LEU A 15 2.432 -4.751 -1.573 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.799 -5.362 -1.909 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.482 -3.230 -1.795 1.00 0.00 C ATOM 0 H LEU A 15 2.180 -7.435 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 15 1.053 -7.021 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.474 -5.254 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.362 -4.773 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 15 2.238 -4.985 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.570 -4.881 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.783 -6.430 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.016 -5.209 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.312 -2.807 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.622 -3.022 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.547 -2.782 -1.458 1.00 0.00 H new ATOM 229 N LYS A 16 -1.338 -7.608 -1.616 1.00 0.00 N ATOM 230 CA LYS A 16 -2.724 -7.957 -1.867 1.00 0.00 C ATOM 231 C LYS A 16 -3.638 -6.843 -1.389 1.00 0.00 C ATOM 232 O LYS A 16 -3.760 -6.598 -0.192 1.00 0.00 O ATOM 233 CB LYS A 16 -3.097 -9.241 -1.089 1.00 0.00 C ATOM 234 CG LYS A 16 -2.565 -10.547 -1.698 1.00 0.00 C ATOM 235 CD LYS A 16 -3.468 -11.097 -2.818 1.00 0.00 C ATOM 236 CE LYS A 16 -3.301 -12.611 -3.003 1.00 0.00 C ATOM 237 NZ LYS A 16 -4.303 -13.147 -3.935 1.00 0.00 N ATOM 0 H LYS A 16 -1.065 -7.752 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.845 -8.113 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.720 -9.153 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.183 -9.305 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.565 -10.376 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.471 -11.297 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.509 -10.873 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.234 -10.590 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.300 -12.826 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.394 -13.110 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.166 -14.172 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.257 -12.962 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.197 -12.686 -4.861 1.00 0.00 H new ATOM 251 N VAL A 17 -4.312 -6.137 -2.317 1.00 0.00 N ATOM 252 CA VAL A 17 -5.136 -4.987 -1.980 1.00 0.00 C ATOM 253 C VAL A 17 -6.617 -5.320 -2.095 1.00 0.00 C ATOM 254 O VAL A 17 -7.170 -5.454 -3.187 1.00 0.00 O ATOM 255 CB VAL A 17 -4.799 -3.801 -2.871 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.536 -2.542 -2.390 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.274 -3.557 -2.862 1.00 0.00 C ATOM 0 H VAL A 17 -4.293 -6.356 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.922 -4.721 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.121 -4.024 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.284 -1.703 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.612 -2.715 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.236 -2.313 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.038 -2.707 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.945 -3.348 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.761 -4.444 -3.234 1.00 0.00 H new ATOM 267 N LEU A 18 -7.305 -5.475 -0.946 1.00 0.00 N ATOM 268 CA LEU A 18 -8.695 -5.885 -0.894 1.00 0.00 C ATOM 269 C LEU A 18 -9.615 -4.677 -0.781 1.00 0.00 C ATOM 270 O LEU A 18 -9.747 -4.067 0.279 1.00 0.00 O ATOM 271 CB LEU A 18 -8.986 -6.827 0.307 1.00 0.00 C ATOM 272 CG LEU A 18 -8.351 -8.235 0.237 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.862 -8.255 0.618 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.120 -9.191 1.163 1.00 0.00 C ATOM 0 H LEU A 18 -6.894 -5.314 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.886 -6.423 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.639 -6.339 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.066 -6.942 0.399 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.418 -8.555 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.482 -9.274 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.304 -7.611 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.743 -7.894 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.672 -10.184 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.072 -8.822 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.161 -9.246 0.845 1.00 0.00 H new ATOM 286 N GLY A 19 -10.293 -4.297 -1.882 1.00 0.00 N ATOM 287 CA GLY A 19 -11.225 -3.174 -1.886 1.00 0.00 C ATOM 288 C GLY A 19 -12.622 -3.520 -1.429 1.00 0.00 C ATOM 289 O GLY A 19 -13.255 -4.444 -1.932 1.00 0.00 O ATOM 0 H GLY A 19 -10.204 -4.763 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.830 -2.388 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.277 -2.765 -2.895 1.00 0.00 H new ATOM 293 N GLN A 20 -13.171 -2.722 -0.487 1.00 0.00 N ATOM 294 CA GLN A 20 -14.562 -2.749 -0.039 1.00 0.00 C ATOM 295 C GLN A 20 -15.545 -2.707 -1.194 1.00 0.00 C ATOM 296 O GLN A 20 -16.366 -3.601 -1.388 1.00 0.00 O ATOM 297 CB GLN A 20 -14.822 -1.552 0.921 1.00 0.00 C ATOM 298 CG GLN A 20 -16.307 -1.283 1.308 1.00 0.00 C ATOM 299 CD GLN A 20 -17.000 -0.223 0.437 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.997 -0.465 -0.245 1.00 0.00 O ATOM 301 NE2 GLN A 20 -16.454 1.013 0.472 1.00 0.00 N ATOM 0 H GLN A 20 -12.623 -2.012 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.720 -3.693 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.255 -1.720 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.421 -0.650 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.865 -2.217 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.348 -0.965 2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.628 1.190 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.868 1.769 -0.074 1.00 0.00 H new ATOM 310 N ASP A 21 -15.405 -1.672 -2.034 1.00 0.00 N ATOM 311 CA ASP A 21 -16.206 -1.348 -3.185 1.00 0.00 C ATOM 312 C ASP A 21 -15.852 -2.180 -4.427 1.00 0.00 C ATOM 313 O ASP A 21 -16.143 -1.811 -5.564 1.00 0.00 O ATOM 314 CB ASP A 21 -16.062 0.184 -3.417 1.00 0.00 C ATOM 315 CG ASP A 21 -14.610 0.635 -3.403 1.00 0.00 C ATOM 316 OD1 ASP A 21 -13.966 0.601 -2.320 1.00 0.00 O ATOM 317 OD2 ASP A 21 -14.121 1.030 -4.490 1.00 0.00 O ATOM 0 H ASP A 21 -14.658 -0.991 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.248 -1.606 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.513 0.449 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.614 0.720 -2.645 1.00 0.00 H new ATOM 322 N ASN A 22 -15.249 -3.369 -4.212 1.00 0.00 N ATOM 323 CA ASN A 22 -15.031 -4.448 -5.167 1.00 0.00 C ATOM 324 C ASN A 22 -13.906 -4.200 -6.166 1.00 0.00 C ATOM 325 O ASN A 22 -13.637 -5.034 -7.031 1.00 0.00 O ATOM 326 CB ASN A 22 -16.308 -4.921 -5.929 1.00 0.00 C ATOM 327 CG ASN A 22 -17.555 -5.147 -5.073 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.668 -4.971 -5.577 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.417 -5.545 -3.792 1.00 0.00 N ATOM 0 H ASN A 22 -14.878 -3.606 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.720 -5.258 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.546 -4.181 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.074 -5.851 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.243 -5.708 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.486 -5.684 -3.398 1.00 0.00 H new ATOM 336 N ALA A 23 -13.202 -3.060 -6.060 1.00 0.00 N ATOM 337 CA ALA A 23 -12.041 -2.753 -6.865 1.00 0.00 C ATOM 338 C ALA A 23 -10.778 -3.401 -6.289 1.00 0.00 C ATOM 339 O ALA A 23 -10.268 -3.012 -5.241 1.00 0.00 O ATOM 340 CB ALA A 23 -11.881 -1.222 -6.964 1.00 0.00 C ATOM 0 H ALA A 23 -13.440 -2.323 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.185 -3.164 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.006 -0.986 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.770 -0.792 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.754 -0.804 -5.965 1.00 0.00 H new ATOM 346 N VAL A 24 -10.250 -4.440 -6.964 1.00 0.00 N ATOM 347 CA VAL A 24 -9.140 -5.244 -6.464 1.00 0.00 C ATOM 348 C VAL A 24 -7.897 -4.985 -7.298 1.00 0.00 C ATOM 349 O VAL A 24 -7.951 -4.974 -8.530 1.00 0.00 O ATOM 350 CB VAL A 24 -9.471 -6.740 -6.479 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.331 -7.572 -5.853 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.778 -6.983 -5.696 1.00 0.00 C ATOM 0 H VAL A 24 -10.591 -4.740 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.958 -4.952 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.592 -7.055 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.596 -8.629 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.413 -7.414 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.179 -7.261 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.015 -8.047 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.653 -6.648 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.590 -6.426 -6.162 1.00 0.00 H new ATOM 362 N VAL A 25 -6.731 -4.761 -6.657 1.00 0.00 N ATOM 363 CA VAL A 25 -5.454 -4.599 -7.346 1.00 0.00 C ATOM 364 C VAL A 25 -4.383 -5.440 -6.663 1.00 0.00 C ATOM 365 O VAL A 25 -4.558 -5.926 -5.545 1.00 0.00 O ATOM 366 CB VAL A 25 -4.982 -3.141 -7.480 1.00 0.00 C ATOM 367 CG1 VAL A 25 -5.980 -2.340 -8.335 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.809 -2.463 -6.115 1.00 0.00 C ATOM 0 H VAL A 25 -6.659 -4.689 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.619 -4.947 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.007 -3.158 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.637 -1.309 -8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.050 -2.786 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.961 -2.356 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.475 -1.436 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.761 -2.464 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.068 -3.007 -5.530 1.00 0.00 H new ATOM 378 N GLN A 26 -3.235 -5.668 -7.332 1.00 0.00 N ATOM 379 CA GLN A 26 -2.142 -6.429 -6.749 1.00 0.00 C ATOM 380 C GLN A 26 -0.803 -5.915 -7.253 1.00 0.00 C ATOM 381 O GLN A 26 -0.628 -5.708 -8.454 1.00 0.00 O ATOM 382 CB GLN A 26 -2.253 -7.929 -7.116 1.00 0.00 C ATOM 383 CG GLN A 26 -1.227 -8.829 -6.387 1.00 0.00 C ATOM 384 CD GLN A 26 -1.183 -10.215 -7.016 1.00 0.00 C ATOM 385 OE1 GLN A 26 -2.025 -11.075 -6.754 1.00 0.00 O ATOM 386 NE2 GLN A 26 -0.167 -10.451 -7.872 1.00 0.00 N ATOM 0 H GLN A 26 -3.053 -5.330 -8.277 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.206 -6.309 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.259 -8.277 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.120 -8.041 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.238 -8.372 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.492 -8.911 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.515 -9.718 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.081 -11.362 -8.322 1.00 0.00 H new ATOM 395 N PHE A 27 0.191 -5.706 -6.365 1.00 0.00 N ATOM 396 CA PHE A 27 1.483 -5.143 -6.745 1.00 0.00 C ATOM 397 C PHE A 27 2.640 -6.048 -6.334 1.00 0.00 C ATOM 398 O PHE A 27 2.493 -6.915 -5.475 1.00 0.00 O ATOM 399 CB PHE A 27 1.723 -3.749 -6.098 1.00 0.00 C ATOM 400 CG PHE A 27 0.538 -2.831 -6.238 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.006 -2.533 -7.499 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.028 -2.234 -5.097 1.00 0.00 C ATOM 403 CE1 PHE A 27 -1.099 -1.665 -7.617 1.00 0.00 C ATOM 404 CE2 PHE A 27 -1.106 -1.348 -5.213 1.00 0.00 C ATOM 405 CZ PHE A 27 -1.639 -1.062 -6.476 1.00 0.00 C ATOM 0 H PHE A 27 0.112 -5.925 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 27 1.451 -5.048 -7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.954 -3.879 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.594 -3.284 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.423 -2.977 -8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.373 -2.462 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.525 -1.461 -8.588 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.525 -0.887 -4.331 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.467 -0.375 -6.569 1.00 0.00 H new ATOM 415 N LYS A 28 3.841 -5.841 -6.928 1.00 0.00 N ATOM 416 CA LYS A 28 5.074 -6.467 -6.473 1.00 0.00 C ATOM 417 C LYS A 28 6.151 -5.422 -6.237 1.00 0.00 C ATOM 418 O LYS A 28 6.263 -4.436 -6.965 1.00 0.00 O ATOM 419 CB LYS A 28 5.586 -7.605 -7.410 1.00 0.00 C ATOM 420 CG LYS A 28 5.933 -7.267 -8.880 1.00 0.00 C ATOM 421 CD LYS A 28 7.362 -6.745 -9.165 1.00 0.00 C ATOM 422 CE LYS A 28 7.734 -6.927 -10.650 1.00 0.00 C ATOM 423 NZ LYS A 28 9.024 -6.320 -11.046 1.00 0.00 N ATOM 0 H LYS A 28 3.966 -5.231 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 28 4.837 -6.953 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.478 -8.033 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.827 -8.387 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.774 -8.163 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.223 -6.518 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.427 -5.690 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.078 -7.278 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.767 -7.993 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.943 -6.497 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.176 -6.462 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.007 -5.301 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.797 -6.770 -10.515 1.00 0.00 H new ATOM 437 N ILE A 29 6.975 -5.604 -5.189 1.00 0.00 N ATOM 438 CA ILE A 29 8.084 -4.706 -4.898 1.00 0.00 C ATOM 439 C ILE A 29 9.231 -5.519 -4.327 1.00 0.00 C ATOM 440 O ILE A 29 9.019 -6.541 -3.674 1.00 0.00 O ATOM 441 CB ILE A 29 7.675 -3.562 -3.958 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.718 -2.419 -3.902 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.314 -4.092 -2.555 1.00 0.00 C ATOM 444 CD1 ILE A 29 8.259 -1.233 -3.045 1.00 0.00 C ATOM 0 H ILE A 29 6.883 -6.376 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 29 8.403 -4.227 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 29 6.776 -3.116 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.655 -2.808 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.923 -2.071 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.029 -3.258 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.481 -4.791 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.176 -4.602 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.032 -0.464 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.338 -0.821 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.081 -1.569 -2.024 1.00 0.00 H new ATOM 456 N LYS A 30 10.498 -5.117 -4.564 1.00 0.00 N ATOM 457 CA LYS A 30 11.638 -5.735 -3.908 1.00 0.00 C ATOM 458 C LYS A 30 11.811 -5.177 -2.504 1.00 0.00 C ATOM 459 O LYS A 30 11.638 -3.984 -2.263 1.00 0.00 O ATOM 460 CB LYS A 30 12.965 -5.547 -4.681 1.00 0.00 C ATOM 461 CG LYS A 30 12.978 -6.239 -6.051 1.00 0.00 C ATOM 462 CD LYS A 30 14.374 -6.211 -6.699 1.00 0.00 C ATOM 463 CE LYS A 30 14.370 -6.794 -8.114 1.00 0.00 C ATOM 464 NZ LYS A 30 15.725 -6.825 -8.687 1.00 0.00 N ATOM 0 H LYS A 30 10.743 -4.365 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 30 11.420 -6.802 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.148 -4.481 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.786 -5.936 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.652 -7.273 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.262 -5.749 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.736 -5.183 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.071 -6.774 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.960 -7.804 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.717 -6.199 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.687 -7.225 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.106 -5.858 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.341 -7.413 -8.090 1.00 0.00 H new ATOM 478 N LYS A 31 12.187 -6.047 -1.544 1.00 0.00 N ATOM 479 CA LYS A 31 12.167 -5.800 -0.104 1.00 0.00 C ATOM 480 C LYS A 31 12.958 -4.579 0.400 1.00 0.00 C ATOM 481 O LYS A 31 12.720 -4.058 1.486 1.00 0.00 O ATOM 482 CB LYS A 31 12.683 -7.085 0.599 1.00 0.00 C ATOM 483 CG LYS A 31 12.218 -7.289 2.054 1.00 0.00 C ATOM 484 CD LYS A 31 10.803 -7.895 2.153 1.00 0.00 C ATOM 485 CE LYS A 31 10.394 -8.248 3.590 1.00 0.00 C ATOM 486 NZ LYS A 31 9.191 -9.092 3.603 1.00 0.00 N ATOM 0 H LYS A 31 12.527 -6.981 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 31 11.134 -5.555 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.368 -7.948 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.773 -7.071 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.924 -7.942 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.234 -6.331 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.083 -7.188 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.756 -8.794 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.213 -8.768 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.207 -7.334 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.003 -9.414 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.378 -8.543 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.339 -9.917 2.987 1.00 0.00 H new ATOM 500 N HIS A 32 13.924 -4.095 -0.406 1.00 0.00 N ATOM 501 CA HIS A 32 14.828 -2.998 -0.096 1.00 0.00 C ATOM 502 C HIS A 32 14.220 -1.605 -0.263 1.00 0.00 C ATOM 503 O HIS A 32 14.721 -0.620 0.285 1.00 0.00 O ATOM 504 CB HIS A 32 16.062 -3.064 -1.033 1.00 0.00 C ATOM 505 CG HIS A 32 16.708 -4.423 -1.117 1.00 0.00 C ATOM 506 ND1 HIS A 32 17.671 -4.723 -2.056 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.536 -5.556 -0.385 1.00 0.00 C ATOM 508 CE1 HIS A 32 18.028 -6.015 -1.858 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.363 -6.563 -0.862 1.00 0.00 N ATOM 0 H HIS A 32 14.093 -4.486 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 32 15.082 -3.128 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.760 -2.756 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.804 -2.343 -0.688 1.00 0.00 H new ATOM 0 HD2 HIS A 32 15.855 -5.657 0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 32 18.770 -6.534 -2.447 1.00 0.00 H new ATOM 0 HE2 HIS A 32 17.439 -7.520 -0.516 1.00 0.00 H new ATOM 517 N THR A 33 13.134 -1.475 -1.049 1.00 0.00 N ATOM 518 CA THR A 33 12.474 -0.189 -1.291 1.00 0.00 C ATOM 519 C THR A 33 11.287 -0.074 -0.341 1.00 0.00 C ATOM 520 O THR A 33 10.495 -1.016 -0.292 1.00 0.00 O ATOM 521 CB THR A 33 11.975 -0.033 -2.729 1.00 0.00 C ATOM 522 OG1 THR A 33 13.064 -0.040 -3.646 1.00 0.00 O ATOM 523 CG2 THR A 33 11.278 1.315 -2.958 1.00 0.00 C ATOM 0 H THR A 33 12.695 -2.260 -1.530 1.00 0.00 H new ATOM 0 HA THR A 33 13.209 0.598 -1.121 1.00 0.00 H new ATOM 0 HB THR A 33 11.288 -0.865 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.723 0.059 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.941 1.379 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.420 1.399 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.977 2.126 -2.753 1.00 0.00 H new ATOM 531 N PRO A 34 11.083 0.987 0.448 1.00 0.00 N ATOM 532 CA PRO A 34 9.931 1.082 1.343 1.00 0.00 C ATOM 533 C PRO A 34 8.633 1.343 0.593 1.00 0.00 C ATOM 534 O PRO A 34 8.645 1.737 -0.576 1.00 0.00 O ATOM 535 CB PRO A 34 10.297 2.255 2.268 1.00 0.00 C ATOM 536 CG PRO A 34 11.215 3.139 1.420 1.00 0.00 C ATOM 537 CD PRO A 34 12.006 2.114 0.611 1.00 0.00 C ATOM 0 HA PRO A 34 9.746 0.153 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.409 2.799 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.802 1.907 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.649 3.813 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.866 3.758 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.312 2.520 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.914 1.812 1.132 1.00 0.00 H new ATOM 545 N LEU A 35 7.482 1.133 1.259 1.00 0.00 N ATOM 546 CA LEU A 35 6.174 1.047 0.630 1.00 0.00 C ATOM 547 C LEU A 35 5.743 2.354 -0.020 1.00 0.00 C ATOM 548 O LEU A 35 5.240 2.360 -1.145 1.00 0.00 O ATOM 549 CB LEU A 35 5.078 0.565 1.622 1.00 0.00 C ATOM 550 CG LEU A 35 5.268 -0.845 2.244 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.622 -1.926 1.209 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.252 -0.873 3.427 1.00 0.00 C ATOM 0 H LEU A 35 7.447 1.017 2.272 1.00 0.00 H new ATOM 0 HA LEU A 35 6.282 0.302 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.013 1.289 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.119 0.581 1.103 1.00 0.00 H new ATOM 0 HG LEU A 35 4.285 -1.091 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.740 -2.886 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.823 -1.999 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.554 -1.660 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.333 -1.891 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.232 -0.532 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.889 -0.217 4.218 1.00 0.00 H new ATOM 564 N ARG A 36 6.001 3.494 0.653 1.00 0.00 N ATOM 565 CA ARG A 36 5.863 4.867 0.183 1.00 0.00 C ATOM 566 C ARG A 36 6.192 5.107 -1.281 1.00 0.00 C ATOM 567 O ARG A 36 5.434 5.757 -1.997 1.00 0.00 O ATOM 568 CB ARG A 36 6.727 5.812 1.068 1.00 0.00 C ATOM 569 CG ARG A 36 7.097 7.170 0.425 1.00 0.00 C ATOM 570 CD ARG A 36 7.684 8.210 1.380 1.00 0.00 C ATOM 571 NE ARG A 36 6.560 8.628 2.263 1.00 0.00 N ATOM 572 CZ ARG A 36 6.550 9.804 2.892 1.00 0.00 C ATOM 573 NH1 ARG A 36 7.665 10.451 3.193 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.370 10.344 3.153 1.00 0.00 N ATOM 0 H ARG A 36 6.338 3.464 1.615 1.00 0.00 H new ATOM 0 HA ARG A 36 4.799 5.084 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.190 6.004 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.648 5.292 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.815 6.990 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.203 7.589 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.503 7.788 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.088 9.061 0.832 1.00 0.00 H new ATOM 0 HE ARG A 36 5.771 7.994 2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.570 10.052 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.619 11.349 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.516 9.862 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.315 11.243 3.633 1.00 0.00 H new ATOM 588 N LYS A 37 7.323 4.586 -1.795 1.00 0.00 N ATOM 589 CA LYS A 37 7.724 4.864 -3.160 1.00 0.00 C ATOM 590 C LYS A 37 6.780 4.250 -4.190 1.00 0.00 C ATOM 591 O LYS A 37 6.435 4.872 -5.190 1.00 0.00 O ATOM 592 CB LYS A 37 9.186 4.418 -3.396 1.00 0.00 C ATOM 593 CG LYS A 37 9.831 4.939 -4.700 1.00 0.00 C ATOM 594 CD LYS A 37 9.911 6.477 -4.770 1.00 0.00 C ATOM 595 CE LYS A 37 8.943 7.105 -5.784 1.00 0.00 C ATOM 596 NZ LYS A 37 8.851 8.551 -5.567 1.00 0.00 N ATOM 0 H LYS A 37 7.960 3.978 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 37 7.663 5.943 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.791 4.750 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.220 3.329 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.836 4.526 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.258 4.573 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.703 6.887 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.930 6.767 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.286 6.903 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.957 6.652 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.194 8.965 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.503 8.736 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.791 8.980 -5.684 1.00 0.00 H new ATOM 610 N LEU A 38 6.280 3.029 -3.922 1.00 0.00 N ATOM 611 CA LEU A 38 5.257 2.396 -4.732 1.00 0.00 C ATOM 612 C LEU A 38 3.900 3.062 -4.532 1.00 0.00 C ATOM 613 O LEU A 38 3.217 3.396 -5.498 1.00 0.00 O ATOM 614 CB LEU A 38 5.211 0.879 -4.420 1.00 0.00 C ATOM 615 CG LEU A 38 4.319 0.030 -5.353 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.886 -1.391 -5.483 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.859 -0.059 -4.881 1.00 0.00 C ATOM 0 H LEU A 38 6.585 2.462 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 38 5.510 2.521 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.227 0.487 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.862 0.748 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 38 4.323 0.537 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.248 -1.978 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.893 -1.344 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.921 -1.860 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.287 -0.669 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.824 -0.513 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.429 0.942 -4.837 1.00 0.00 H new ATOM 629 N MET A 39 3.496 3.295 -3.265 1.00 0.00 N ATOM 630 CA MET A 39 2.229 3.913 -2.900 1.00 0.00 C ATOM 631 C MET A 39 2.033 5.299 -3.500 1.00 0.00 C ATOM 632 O MET A 39 1.028 5.565 -4.155 1.00 0.00 O ATOM 633 CB MET A 39 2.079 4.011 -1.359 1.00 0.00 C ATOM 634 CG MET A 39 2.074 2.659 -0.612 1.00 0.00 C ATOM 635 SD MET A 39 0.438 1.943 -0.244 1.00 0.00 S ATOM 636 CE MET A 39 -0.052 1.418 -1.909 1.00 0.00 C ATOM 0 H MET A 39 4.066 3.048 -2.456 1.00 0.00 H new ATOM 0 HA MET A 39 1.462 3.260 -3.315 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.894 4.621 -0.969 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.151 4.536 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.637 1.938 -1.206 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.611 2.786 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.797 0.625 -1.836 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.476 2.265 -2.448 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.821 1.047 -2.445 1.00 0.00 H new ATOM 646 N ASN A 40 3.025 6.202 -3.330 1.00 0.00 N ATOM 647 CA ASN A 40 3.018 7.541 -3.898 1.00 0.00 C ATOM 648 C ASN A 40 2.963 7.519 -5.422 1.00 0.00 C ATOM 649 O ASN A 40 2.174 8.236 -6.025 1.00 0.00 O ATOM 650 CB ASN A 40 4.273 8.371 -3.498 1.00 0.00 C ATOM 651 CG ASN A 40 4.418 8.735 -2.015 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.430 9.365 -1.687 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.469 8.369 -1.132 1.00 0.00 N ATOM 0 H ASN A 40 3.862 6.003 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 40 2.121 8.006 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.159 7.813 -3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.267 9.295 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.569 8.611 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.650 7.850 -1.449 1.00 0.00 H new ATOM 660 N ALA A 41 3.785 6.669 -6.076 1.00 0.00 N ATOM 661 CA ALA A 41 3.815 6.539 -7.521 1.00 0.00 C ATOM 662 C ALA A 41 2.503 6.038 -8.117 1.00 0.00 C ATOM 663 O ALA A 41 2.004 6.589 -9.097 1.00 0.00 O ATOM 664 CB ALA A 41 4.962 5.594 -7.935 1.00 0.00 C ATOM 0 H ALA A 41 4.445 6.056 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 41 3.976 7.541 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.981 5.499 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.912 6.002 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.804 4.613 -7.488 1.00 0.00 H new ATOM 670 N TYR A 42 1.890 4.997 -7.520 1.00 0.00 N ATOM 671 CA TYR A 42 0.597 4.501 -7.956 1.00 0.00 C ATOM 672 C TYR A 42 -0.525 5.511 -7.785 1.00 0.00 C ATOM 673 O TYR A 42 -1.290 5.732 -8.722 1.00 0.00 O ATOM 674 CB TYR A 42 0.229 3.155 -7.269 1.00 0.00 C ATOM 675 CG TYR A 42 0.547 2.013 -8.197 1.00 0.00 C ATOM 676 CD1 TYR A 42 -0.374 1.657 -9.197 1.00 0.00 C ATOM 677 CD2 TYR A 42 1.760 1.312 -8.109 1.00 0.00 C ATOM 678 CE1 TYR A 42 -0.098 0.607 -10.084 1.00 0.00 C ATOM 679 CE2 TYR A 42 2.037 0.256 -8.992 1.00 0.00 C ATOM 680 CZ TYR A 42 1.104 -0.100 -9.973 1.00 0.00 C ATOM 681 OH TYR A 42 1.361 -1.175 -10.847 1.00 0.00 O ATOM 0 H TYR A 42 2.285 4.489 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 42 0.703 4.324 -9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.785 3.046 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.830 3.144 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.305 2.198 -9.283 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.485 1.587 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.812 0.345 -10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.970 -0.282 -8.914 1.00 0.00 H new ATOM 0 HH TYR A 42 2.238 -1.561 -10.642 1.00 0.00 H new ATOM 691 N CYS A 43 -0.660 6.188 -6.623 1.00 0.00 N ATOM 692 CA CYS A 43 -1.714 7.182 -6.455 1.00 0.00 C ATOM 693 C CYS A 43 -1.554 8.408 -7.358 1.00 0.00 C ATOM 694 O CYS A 43 -2.509 8.838 -8.004 1.00 0.00 O ATOM 695 CB CYS A 43 -1.992 7.541 -4.965 1.00 0.00 C ATOM 696 SG CYS A 43 -0.655 8.376 -4.052 1.00 0.00 S ATOM 0 H CYS A 43 -0.059 6.060 -5.809 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.622 6.692 -6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.876 8.178 -4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.241 6.621 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 43 0.431 8.366 -4.767 1.00 0.00 H new ATOM 702 N ASP A 44 -0.316 8.938 -7.509 1.00 0.00 N ATOM 703 CA ASP A 44 0.044 9.975 -8.471 1.00 0.00 C ATOM 704 C ASP A 44 -0.296 9.609 -9.917 1.00 0.00 C ATOM 705 O ASP A 44 -0.964 10.369 -10.622 1.00 0.00 O ATOM 706 CB ASP A 44 1.567 10.285 -8.310 1.00 0.00 C ATOM 707 CG ASP A 44 2.167 11.118 -9.424 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.551 12.128 -9.848 1.00 0.00 O ATOM 709 OD2 ASP A 44 3.242 10.722 -9.935 1.00 0.00 O ATOM 0 H ASP A 44 0.475 8.637 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.553 10.861 -8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.720 10.805 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.111 9.342 -8.247 1.00 0.00 H new ATOM 714 N ARG A 45 0.198 8.462 -10.414 1.00 0.00 N ATOM 715 CA ARG A 45 0.066 8.093 -11.807 1.00 0.00 C ATOM 716 C ARG A 45 -1.359 7.663 -12.154 1.00 0.00 C ATOM 717 O ARG A 45 -1.858 7.934 -13.248 1.00 0.00 O ATOM 718 CB ARG A 45 1.103 7.003 -12.162 1.00 0.00 C ATOM 719 CG ARG A 45 1.326 6.775 -13.673 1.00 0.00 C ATOM 720 CD ARG A 45 2.099 7.886 -14.403 1.00 0.00 C ATOM 721 NE ARG A 45 2.078 7.488 -15.844 1.00 0.00 N ATOM 722 CZ ARG A 45 3.038 7.709 -16.749 1.00 0.00 C ATOM 723 NH1 ARG A 45 4.117 8.443 -16.533 1.00 0.00 N ATOM 724 NH2 ARG A 45 2.893 7.207 -17.970 1.00 0.00 N ATOM 0 H ARG A 45 0.697 7.775 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 45 0.271 8.973 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.057 7.269 -11.706 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.786 6.062 -11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.863 5.836 -13.806 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.354 6.657 -14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.628 8.858 -14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.120 7.967 -14.031 1.00 0.00 H new ATOM 0 HE ARG A 45 1.246 6.997 -16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.259 8.886 -15.625 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.807 8.566 -17.274 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.061 6.665 -18.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.613 7.364 -18.675 1.00 0.00 H new ATOM 738 N ALA A 46 -2.087 7.018 -11.218 1.00 0.00 N ATOM 739 CA ALA A 46 -3.499 6.706 -11.376 1.00 0.00 C ATOM 740 C ALA A 46 -4.392 7.945 -11.331 1.00 0.00 C ATOM 741 O ALA A 46 -5.204 8.158 -12.229 1.00 0.00 O ATOM 742 CB ALA A 46 -3.951 5.704 -10.299 1.00 0.00 C ATOM 0 H ALA A 46 -1.697 6.703 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.608 6.264 -12.366 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.010 5.481 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.372 4.785 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.792 6.135 -9.311 1.00 0.00 H new ATOM 748 N GLY A 47 -4.242 8.809 -10.306 1.00 0.00 N ATOM 749 CA GLY A 47 -5.015 10.045 -10.164 1.00 0.00 C ATOM 750 C GLY A 47 -5.932 10.032 -8.975 1.00 0.00 C ATOM 751 O GLY A 47 -6.703 10.965 -8.747 1.00 0.00 O ATOM 0 H GLY A 47 -3.573 8.661 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.329 10.888 -10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.603 10.205 -11.068 1.00 0.00 H new ATOM 755 N LEU A 48 -5.873 8.972 -8.154 1.00 0.00 N ATOM 756 CA LEU A 48 -6.650 8.869 -6.935 1.00 0.00 C ATOM 757 C LEU A 48 -5.990 9.653 -5.808 1.00 0.00 C ATOM 758 O LEU A 48 -4.796 9.551 -5.548 1.00 0.00 O ATOM 759 CB LEU A 48 -6.941 7.392 -6.562 1.00 0.00 C ATOM 760 CG LEU A 48 -5.716 6.510 -6.236 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.483 6.390 -4.721 1.00 0.00 C ATOM 762 CD2 LEU A 48 -5.880 5.107 -6.841 1.00 0.00 C ATOM 0 H LEU A 48 -5.277 8.163 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.624 9.326 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.607 7.383 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.483 6.932 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.847 6.998 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.612 5.761 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.312 7.381 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.360 5.943 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.006 4.502 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.773 4.635 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.978 5.187 -7.924 1.00 0.00 H new ATOM 774 N SER A 49 -6.760 10.520 -5.128 1.00 0.00 N ATOM 775 CA SER A 49 -6.231 11.409 -4.104 1.00 0.00 C ATOM 776 C SER A 49 -6.275 10.714 -2.761 1.00 0.00 C ATOM 777 O SER A 49 -7.309 10.187 -2.360 1.00 0.00 O ATOM 778 CB SER A 49 -7.030 12.735 -3.995 1.00 0.00 C ATOM 779 OG SER A 49 -7.227 13.320 -5.286 1.00 0.00 O ATOM 0 H SER A 49 -7.764 10.617 -5.280 1.00 0.00 H new ATOM 0 HA SER A 49 -5.208 11.652 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.996 12.545 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.496 13.434 -3.352 1.00 0.00 H new ATOM 0 HG SER A 49 -7.734 14.154 -5.194 1.00 0.00 H new ATOM 785 N MET A 50 -5.149 10.659 -2.031 1.00 0.00 N ATOM 786 CA MET A 50 -4.972 9.720 -0.933 1.00 0.00 C ATOM 787 C MET A 50 -5.927 9.871 0.250 1.00 0.00 C ATOM 788 O MET A 50 -6.347 8.884 0.846 1.00 0.00 O ATOM 789 CB MET A 50 -3.503 9.754 -0.445 1.00 0.00 C ATOM 790 CG MET A 50 -3.041 8.543 0.396 1.00 0.00 C ATOM 791 SD MET A 50 -2.498 7.082 -0.559 1.00 0.00 S ATOM 792 CE MET A 50 -4.097 6.267 -0.848 1.00 0.00 C ATOM 0 H MET A 50 -4.344 11.265 -2.192 1.00 0.00 H new ATOM 0 HA MET A 50 -5.228 8.749 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.853 9.835 -1.316 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.358 10.658 0.146 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.220 8.861 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.860 8.244 1.050 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.952 5.188 -0.898 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.779 6.504 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.521 6.620 -1.788 1.00 0.00 H new ATOM 802 N GLN A 51 -6.334 11.104 0.614 1.00 0.00 N ATOM 803 CA GLN A 51 -7.161 11.347 1.790 1.00 0.00 C ATOM 804 C GLN A 51 -8.544 10.695 1.790 1.00 0.00 C ATOM 805 O GLN A 51 -9.079 10.378 2.851 1.00 0.00 O ATOM 806 CB GLN A 51 -7.368 12.858 2.046 1.00 0.00 C ATOM 807 CG GLN A 51 -6.056 13.657 2.183 1.00 0.00 C ATOM 808 CD GLN A 51 -6.324 15.050 2.751 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.904 15.364 3.865 1.00 0.00 O ATOM 810 NE2 GLN A 51 -7.039 15.905 1.993 1.00 0.00 N ATOM 0 H GLN A 51 -6.094 11.949 0.096 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.580 10.873 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.953 13.278 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.955 12.985 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.365 13.121 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.574 13.743 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.373 15.615 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.246 16.842 2.338 1.00 0.00 H new ATOM 819 N VAL A 52 -9.160 10.476 0.611 1.00 0.00 N ATOM 820 CA VAL A 52 -10.480 9.861 0.507 1.00 0.00 C ATOM 821 C VAL A 52 -10.433 8.335 0.515 1.00 0.00 C ATOM 822 O VAL A 52 -11.470 7.671 0.495 1.00 0.00 O ATOM 823 CB VAL A 52 -11.263 10.336 -0.718 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.589 11.833 -0.578 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.515 10.067 -2.036 1.00 0.00 C ATOM 0 H VAL A 52 -8.749 10.723 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.004 10.192 1.404 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.189 9.762 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.147 12.167 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.189 11.992 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.662 12.401 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.114 10.423 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.559 10.591 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.341 8.996 -2.144 1.00 0.00 H new ATOM 835 N VAL A 53 -9.226 7.738 0.556 1.00 0.00 N ATOM 836 CA VAL A 53 -9.031 6.301 0.586 1.00 0.00 C ATOM 837 C VAL A 53 -8.531 5.893 1.964 1.00 0.00 C ATOM 838 O VAL A 53 -7.503 6.368 2.441 1.00 0.00 O ATOM 839 CB VAL A 53 -8.035 5.857 -0.481 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.865 4.326 -0.460 1.00 0.00 C ATOM 841 CG2 VAL A 53 -8.543 6.305 -1.867 1.00 0.00 C ATOM 0 H VAL A 53 -8.352 8.263 0.569 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.984 5.815 0.377 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.067 6.315 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.151 4.029 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.497 4.014 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.826 3.850 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.835 5.990 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.515 5.851 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.639 7.391 -1.886 1.00 0.00 H new ATOM 851 N ARG A 54 -9.256 5.001 2.667 1.00 0.00 N ATOM 852 CA ARG A 54 -8.889 4.588 4.011 1.00 0.00 C ATOM 853 C ARG A 54 -8.389 3.150 4.022 1.00 0.00 C ATOM 854 O ARG A 54 -9.103 2.221 3.654 1.00 0.00 O ATOM 855 CB ARG A 54 -10.067 4.853 4.992 1.00 0.00 C ATOM 856 CG ARG A 54 -9.631 5.777 6.148 1.00 0.00 C ATOM 857 CD ARG A 54 -10.711 6.654 6.816 1.00 0.00 C ATOM 858 NE ARG A 54 -11.410 7.530 5.804 1.00 0.00 N ATOM 859 CZ ARG A 54 -10.863 8.502 5.059 1.00 0.00 C ATOM 860 NH1 ARG A 54 -9.590 8.847 5.093 1.00 0.00 N ATOM 861 NH2 ARG A 54 -11.670 9.206 4.276 1.00 0.00 N ATOM 0 H ARG A 54 -10.103 4.557 2.312 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.052 5.190 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.898 5.308 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.428 3.907 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.179 5.155 6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.849 6.437 5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.442 6.018 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.253 7.277 7.584 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.408 7.364 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.947 8.362 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.249 9.599 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.669 9.000 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.292 9.954 3.694 1.00 0.00 H new ATOM 875 N PHE A 55 -7.107 2.945 4.391 1.00 0.00 N ATOM 876 CA PHE A 55 -6.405 1.686 4.204 1.00 0.00 C ATOM 877 C PHE A 55 -5.793 1.132 5.493 1.00 0.00 C ATOM 878 O PHE A 55 -5.138 1.845 6.252 1.00 0.00 O ATOM 879 CB PHE A 55 -5.340 1.805 3.073 1.00 0.00 C ATOM 880 CG PHE A 55 -4.413 2.991 3.228 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.756 4.240 2.682 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.178 2.864 3.887 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.895 5.337 2.799 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.305 3.954 3.999 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.664 5.193 3.451 1.00 0.00 C ATOM 0 H PHE A 55 -6.536 3.666 4.831 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.157 0.959 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.745 0.892 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.850 1.878 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.697 4.355 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.898 1.912 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.180 6.294 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.358 3.840 4.506 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.993 6.035 3.531 1.00 0.00 H new ATOM 895 N ARG A 56 -6.001 -0.171 5.785 1.00 0.00 N ATOM 896 CA ARG A 56 -5.540 -0.785 7.026 1.00 0.00 C ATOM 897 C ARG A 56 -4.890 -2.138 6.797 1.00 0.00 C ATOM 898 O ARG A 56 -5.247 -2.889 5.897 1.00 0.00 O ATOM 899 CB ARG A 56 -6.670 -0.972 8.072 1.00 0.00 C ATOM 900 CG ARG A 56 -7.526 0.287 8.269 1.00 0.00 C ATOM 901 CD ARG A 56 -8.617 0.138 9.323 1.00 0.00 C ATOM 902 NE ARG A 56 -9.391 1.413 9.238 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.637 1.527 8.773 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.324 0.522 8.248 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.199 2.728 8.855 1.00 0.00 N ATOM 0 H ARG A 56 -6.492 -0.814 5.163 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.805 -0.081 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.313 -1.795 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.229 -1.257 9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.876 1.116 8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.988 0.552 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.250 -0.726 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.193 -0.004 10.317 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.931 2.264 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.902 -0.404 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.274 0.675 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.680 3.508 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.150 2.870 8.514 1.00 0.00 H new ATOM 919 N PHE A 57 -3.906 -2.487 7.638 1.00 0.00 N ATOM 920 CA PHE A 57 -3.141 -3.711 7.558 1.00 0.00 C ATOM 921 C PHE A 57 -3.330 -4.473 8.860 1.00 0.00 C ATOM 922 O PHE A 57 -3.025 -3.965 9.940 1.00 0.00 O ATOM 923 CB PHE A 57 -1.647 -3.358 7.343 1.00 0.00 C ATOM 924 CG PHE A 57 -0.799 -4.558 7.032 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.251 -5.336 8.067 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.516 -4.901 5.702 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.551 -6.447 7.775 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.303 -5.996 5.406 1.00 0.00 C ATOM 929 CZ PHE A 57 0.833 -6.775 6.443 1.00 0.00 C ATOM 0 H PHE A 57 -3.621 -1.893 8.417 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.475 -4.329 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.563 -2.639 6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.262 -2.870 8.239 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.450 -5.075 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.935 -4.314 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.951 -7.050 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.527 -6.241 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.457 -7.626 6.216 1.00 0.00 H new ATOM 939 N ASP A 58 -3.863 -5.714 8.790 1.00 0.00 N ATOM 940 CA ASP A 58 -4.067 -6.590 9.937 1.00 0.00 C ATOM 941 C ASP A 58 -4.896 -5.936 11.068 1.00 0.00 C ATOM 942 O ASP A 58 -4.621 -6.075 12.260 1.00 0.00 O ATOM 943 CB ASP A 58 -2.677 -7.150 10.378 1.00 0.00 C ATOM 944 CG ASP A 58 -2.736 -8.373 11.258 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.795 -9.043 11.356 1.00 0.00 O ATOM 946 OD2 ASP A 58 -1.711 -8.681 11.922 1.00 0.00 O ATOM 0 H ASP A 58 -4.166 -6.131 7.910 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.694 -7.434 9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.098 -7.390 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.137 -6.365 10.907 1.00 0.00 H new ATOM 951 N GLY A 59 -5.945 -5.171 10.695 1.00 0.00 N ATOM 952 CA GLY A 59 -6.840 -4.496 11.634 1.00 0.00 C ATOM 953 C GLY A 59 -6.400 -3.128 12.105 1.00 0.00 C ATOM 954 O GLY A 59 -7.153 -2.446 12.795 1.00 0.00 O ATOM 0 H GLY A 59 -6.189 -5.009 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.819 -4.399 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.967 -5.135 12.508 1.00 0.00 H new ATOM 958 N GLN A 60 -5.172 -2.683 11.774 1.00 0.00 N ATOM 959 CA GLN A 60 -4.619 -1.423 12.258 1.00 0.00 C ATOM 960 C GLN A 60 -4.185 -0.534 11.093 1.00 0.00 C ATOM 961 O GLN A 60 -3.933 -1.056 10.006 1.00 0.00 O ATOM 962 CB GLN A 60 -3.399 -1.702 13.177 1.00 0.00 C ATOM 963 CG GLN A 60 -3.784 -2.508 14.439 1.00 0.00 C ATOM 964 CD GLN A 60 -2.603 -2.649 15.396 1.00 0.00 C ATOM 965 OE1 GLN A 60 -1.579 -3.267 15.078 1.00 0.00 O ATOM 966 NE2 GLN A 60 -2.742 -2.073 16.610 1.00 0.00 N ATOM 0 H GLN A 60 -4.540 -3.197 11.160 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.394 -0.904 12.822 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.643 -2.250 12.616 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.949 -0.755 13.477 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.610 -2.013 14.950 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.137 -3.497 14.147 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.599 -1.571 16.841 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.990 -2.141 17.296 1.00 0.00 H new ATOM 975 N PRO A 61 -4.069 0.789 11.195 1.00 0.00 N ATOM 976 CA PRO A 61 -3.568 1.611 10.094 1.00 0.00 C ATOM 977 C PRO A 61 -2.075 1.391 9.859 1.00 0.00 C ATOM 978 O PRO A 61 -1.341 1.050 10.786 1.00 0.00 O ATOM 979 CB PRO A 61 -3.887 3.048 10.548 1.00 0.00 C ATOM 980 CG PRO A 61 -3.879 2.979 12.079 1.00 0.00 C ATOM 981 CD PRO A 61 -4.456 1.590 12.361 1.00 0.00 C ATOM 0 HA PRO A 61 -4.027 1.368 9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.144 3.755 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.855 3.377 10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.873 3.088 12.483 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.488 3.767 12.522 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.051 1.171 13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.539 1.626 12.476 1.00 0.00 H new ATOM 989 N ILE A 62 -1.604 1.559 8.608 1.00 0.00 N ATOM 990 CA ILE A 62 -0.225 1.287 8.234 1.00 0.00 C ATOM 991 C ILE A 62 0.469 2.554 7.761 1.00 0.00 C ATOM 992 O ILE A 62 -0.080 3.374 7.027 1.00 0.00 O ATOM 993 CB ILE A 62 -0.106 0.144 7.222 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.371 -0.227 6.923 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.915 0.449 5.940 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.541 -1.555 6.177 1.00 0.00 C ATOM 0 H ILE A 62 -2.181 1.889 7.834 1.00 0.00 H new ATOM 0 HA ILE A 62 0.293 0.944 9.129 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.548 -0.743 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.823 0.570 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.920 -0.277 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.812 -0.380 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.966 0.580 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.537 1.362 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.601 -1.743 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.121 -2.364 6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.022 -1.504 5.220 1.00 0.00 H new ATOM 1008 N ASN A 63 1.725 2.754 8.208 1.00 0.00 N ATOM 1009 CA ASN A 63 2.513 3.931 7.901 1.00 0.00 C ATOM 1010 C ASN A 63 3.466 3.623 6.753 1.00 0.00 C ATOM 1011 O ASN A 63 4.286 2.714 6.832 1.00 0.00 O ATOM 1012 CB ASN A 63 3.295 4.394 9.155 1.00 0.00 C ATOM 1013 CG ASN A 63 2.273 4.736 10.234 1.00 0.00 C ATOM 1014 OD1 ASN A 63 1.349 5.513 9.990 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.405 4.140 11.440 1.00 0.00 N ATOM 0 H ASN A 63 2.214 2.083 8.800 1.00 0.00 H new ATOM 0 HA ASN A 63 1.849 4.740 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.967 3.608 9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.912 5.262 8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.728 4.329 12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.182 3.501 11.611 1.00 0.00 H new ATOM 1022 N GLU A 64 3.359 4.369 5.635 1.00 0.00 N ATOM 1023 CA GLU A 64 3.977 4.026 4.364 1.00 0.00 C ATOM 1024 C GLU A 64 5.505 4.118 4.283 1.00 0.00 C ATOM 1025 O GLU A 64 6.136 3.487 3.440 1.00 0.00 O ATOM 1026 CB GLU A 64 3.370 4.910 3.240 1.00 0.00 C ATOM 1027 CG GLU A 64 3.605 6.440 3.394 1.00 0.00 C ATOM 1028 CD GLU A 64 3.336 7.219 2.110 1.00 0.00 C ATOM 1029 OE1 GLU A 64 2.604 6.719 1.228 1.00 0.00 O ATOM 1030 OE2 GLU A 64 3.899 8.341 1.985 1.00 0.00 O ATOM 0 H GLU A 64 2.829 5.240 5.603 1.00 0.00 H new ATOM 0 HA GLU A 64 3.755 2.966 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.786 4.590 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.296 4.727 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.961 6.823 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.634 6.614 3.708 1.00 0.00 H new ATOM 1037 N ASN A 65 6.137 4.940 5.139 1.00 0.00 N ATOM 1038 CA ASN A 65 7.518 5.369 4.985 1.00 0.00 C ATOM 1039 C ASN A 65 8.553 4.314 5.385 1.00 0.00 C ATOM 1040 O ASN A 65 9.664 4.284 4.864 1.00 0.00 O ATOM 1041 CB ASN A 65 7.684 6.644 5.852 1.00 0.00 C ATOM 1042 CG ASN A 65 8.795 7.583 5.376 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.325 7.517 4.273 1.00 0.00 O ATOM 1044 ND2 ASN A 65 9.100 8.576 6.252 1.00 0.00 N ATOM 0 H ASN A 65 5.685 5.326 5.968 1.00 0.00 H new ATOM 0 HA ASN A 65 7.708 5.554 3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.741 7.190 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.890 6.347 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.784 9.288 5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.645 8.609 7.164 1.00 0.00 H new ATOM 1051 N ASP A 66 8.201 3.434 6.339 1.00 0.00 N ATOM 1052 CA ASP A 66 9.128 2.509 6.958 1.00 0.00 C ATOM 1053 C ASP A 66 9.275 1.198 6.162 1.00 0.00 C ATOM 1054 O ASP A 66 8.633 0.963 5.138 1.00 0.00 O ATOM 1055 CB ASP A 66 8.643 2.283 8.419 1.00 0.00 C ATOM 1056 CG ASP A 66 9.729 1.857 9.380 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.918 1.770 8.985 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.370 1.621 10.564 1.00 0.00 O ATOM 0 H ASP A 66 7.249 3.355 6.697 1.00 0.00 H new ATOM 0 HA ASP A 66 10.134 2.929 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.192 3.205 8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.860 1.525 8.416 1.00 0.00 H new ATOM 1063 N THR A 67 10.170 0.296 6.609 1.00 0.00 N ATOM 1064 CA THR A 67 10.530 -0.900 5.848 1.00 0.00 C ATOM 1065 C THR A 67 9.803 -2.163 6.304 1.00 0.00 C ATOM 1066 O THR A 67 9.521 -2.340 7.493 1.00 0.00 O ATOM 1067 CB THR A 67 12.026 -1.212 5.835 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.527 -1.528 7.128 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.791 0.011 5.317 1.00 0.00 C ATOM 0 H THR A 67 10.656 0.381 7.502 1.00 0.00 H new ATOM 0 HA THR A 67 10.211 -0.634 4.840 1.00 0.00 H new ATOM 0 HB THR A 67 12.168 -2.079 5.190 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.098 -2.322 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.859 -0.206 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.458 0.247 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.601 0.863 5.970 1.00 0.00 H new ATOM 1077 N PRO A 68 9.523 -3.132 5.426 1.00 0.00 N ATOM 1078 CA PRO A 68 8.994 -4.432 5.843 1.00 0.00 C ATOM 1079 C PRO A 68 10.081 -5.331 6.421 1.00 0.00 C ATOM 1080 O PRO A 68 9.779 -6.462 6.800 1.00 0.00 O ATOM 1081 CB PRO A 68 8.400 -4.986 4.535 1.00 0.00 C ATOM 1082 CG PRO A 68 9.299 -4.412 3.438 1.00 0.00 C ATOM 1083 CD PRO A 68 9.616 -3.011 3.965 1.00 0.00 C ATOM 0 HA PRO A 68 8.261 -4.366 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.407 -6.076 4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.364 -4.673 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.202 -5.007 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.791 -4.377 2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.610 -2.688 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.909 -2.275 3.583 1.00 0.00 H new ATOM 1091 N THR A 69 11.343 -4.855 6.517 1.00 0.00 N ATOM 1092 CA THR A 69 12.440 -5.524 7.214 1.00 0.00 C ATOM 1093 C THR A 69 12.383 -5.270 8.702 1.00 0.00 C ATOM 1094 O THR A 69 12.741 -6.136 9.494 1.00 0.00 O ATOM 1095 CB THR A 69 13.851 -5.157 6.734 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.074 -3.750 6.699 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.039 -5.676 5.302 1.00 0.00 C ATOM 0 H THR A 69 11.624 -3.969 6.096 1.00 0.00 H new ATOM 0 HA THR A 69 12.281 -6.576 6.976 1.00 0.00 H new ATOM 0 HB THR A 69 14.551 -5.605 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.986 -3.571 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.039 -5.421 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.915 -6.759 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.297 -5.218 4.648 1.00 0.00 H new ATOM 1105 N SER A 70 11.909 -4.098 9.157 1.00 0.00 N ATOM 1106 CA SER A 70 11.711 -3.831 10.582 1.00 0.00 C ATOM 1107 C SER A 70 10.554 -4.602 11.156 1.00 0.00 C ATOM 1108 O SER A 70 10.619 -5.174 12.240 1.00 0.00 O ATOM 1109 CB SER A 70 11.411 -2.351 10.872 1.00 0.00 C ATOM 1110 OG SER A 70 12.544 -1.574 10.521 1.00 0.00 O ATOM 0 H SER A 70 11.656 -3.319 8.550 1.00 0.00 H new ATOM 0 HA SER A 70 12.652 -4.135 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.540 -2.025 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.173 -2.215 11.927 1.00 0.00 H new ATOM 0 HG SER A 70 12.361 -0.628 10.701 1.00 0.00 H new ATOM 1116 N LEU A 71 9.450 -4.670 10.399 1.00 0.00 N ATOM 1117 CA LEU A 71 8.255 -5.399 10.775 1.00 0.00 C ATOM 1118 C LEU A 71 8.423 -6.917 10.729 1.00 0.00 C ATOM 1119 O LEU A 71 7.565 -7.656 11.210 1.00 0.00 O ATOM 1120 CB LEU A 71 7.102 -5.025 9.804 1.00 0.00 C ATOM 1121 CG LEU A 71 6.835 -3.512 9.650 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.707 -3.274 8.632 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.482 -2.851 10.988 1.00 0.00 C ATOM 0 H LEU A 71 9.372 -4.207 9.493 1.00 0.00 H new ATOM 0 HA LEU A 71 8.039 -5.118 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.328 -5.439 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.187 -5.505 10.150 1.00 0.00 H new ATOM 0 HG LEU A 71 7.755 -3.053 9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.527 -2.204 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.997 -3.686 7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.796 -3.764 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.302 -1.787 10.832 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.584 -3.315 11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.308 -2.981 11.687 1.00 0.00 H new ATOM 1135 N GLU A 72 9.524 -7.397 10.104 1.00 0.00 N ATOM 1136 CA GLU A 72 9.767 -8.752 9.629 1.00 0.00 C ATOM 1137 C GLU A 72 8.533 -9.539 9.207 1.00 0.00 C ATOM 1138 O GLU A 72 8.081 -10.487 9.854 1.00 0.00 O ATOM 1139 CB GLU A 72 10.722 -9.588 10.515 1.00 0.00 C ATOM 1140 CG GLU A 72 12.191 -9.088 10.477 1.00 0.00 C ATOM 1141 CD GLU A 72 13.217 -10.104 10.962 1.00 0.00 C ATOM 1142 OE1 GLU A 72 12.817 -11.199 11.434 1.00 0.00 O ATOM 1143 OE2 GLU A 72 14.437 -9.816 10.838 1.00 0.00 O ATOM 0 H GLU A 72 10.319 -6.788 9.911 1.00 0.00 H new ATOM 0 HA GLU A 72 10.305 -8.563 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.364 -9.565 11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.691 -10.628 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.438 -8.801 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.271 -8.189 11.088 1.00 0.00 H new ATOM 1150 N MET A 73 7.964 -9.121 8.064 1.00 0.00 N ATOM 1151 CA MET A 73 6.921 -9.832 7.359 1.00 0.00 C ATOM 1152 C MET A 73 7.596 -10.716 6.326 1.00 0.00 C ATOM 1153 O MET A 73 8.685 -10.390 5.858 1.00 0.00 O ATOM 1154 CB MET A 73 5.964 -8.817 6.685 1.00 0.00 C ATOM 1155 CG MET A 73 4.634 -9.405 6.164 1.00 0.00 C ATOM 1156 SD MET A 73 3.641 -10.294 7.410 1.00 0.00 S ATOM 1157 CE MET A 73 3.429 -8.916 8.580 1.00 0.00 C ATOM 0 H MET A 73 8.235 -8.252 7.604 1.00 0.00 H new ATOM 0 HA MET A 73 6.327 -10.443 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.737 -8.027 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.487 -8.350 5.850 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.032 -8.594 5.753 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.853 -10.087 5.342 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.622 -9.150 9.275 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.354 -8.765 9.136 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.183 -8.007 8.031 1.00 0.00 H new ATOM 1167 N GLU A 74 7.006 -11.859 5.945 1.00 0.00 N ATOM 1168 CA GLU A 74 7.611 -12.784 5.003 1.00 0.00 C ATOM 1169 C GLU A 74 7.261 -12.434 3.553 1.00 0.00 C ATOM 1170 O GLU A 74 7.930 -11.600 2.939 1.00 0.00 O ATOM 1171 CB GLU A 74 7.283 -14.243 5.411 1.00 0.00 C ATOM 1172 CG GLU A 74 5.828 -14.526 5.861 1.00 0.00 C ATOM 1173 CD GLU A 74 5.733 -15.934 6.408 1.00 0.00 C ATOM 1174 OE1 GLU A 74 6.185 -16.161 7.560 1.00 0.00 O ATOM 1175 OE2 GLU A 74 5.212 -16.829 5.701 1.00 0.00 O ATOM 0 H GLU A 74 6.094 -12.159 6.288 1.00 0.00 H new ATOM 0 HA GLU A 74 8.696 -12.688 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.511 -14.893 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.952 -14.529 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.526 -13.807 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.146 -14.405 5.020 1.00 0.00 H new ATOM 1182 N GLU A 75 6.217 -13.041 2.971 1.00 0.00 N ATOM 1183 CA GLU A 75 5.532 -12.498 1.815 1.00 0.00 C ATOM 1184 C GLU A 75 4.058 -12.769 2.031 1.00 0.00 C ATOM 1185 O GLU A 75 3.684 -13.817 2.558 1.00 0.00 O ATOM 1186 CB GLU A 75 6.024 -13.061 0.448 1.00 0.00 C ATOM 1187 CG GLU A 75 5.778 -14.575 0.180 1.00 0.00 C ATOM 1188 CD GLU A 75 4.848 -14.836 -1.000 1.00 0.00 C ATOM 1189 OE1 GLU A 75 3.681 -14.358 -0.977 1.00 0.00 O ATOM 1190 OE2 GLU A 75 5.274 -15.508 -1.975 1.00 0.00 O ATOM 0 H GLU A 75 5.831 -13.926 3.299 1.00 0.00 H new ATOM 0 HA GLU A 75 5.748 -11.432 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.540 -12.493 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.095 -12.872 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.734 -15.064 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.355 -15.031 1.075 1.00 0.00 H new ATOM 1197 N GLY A 76 3.176 -11.817 1.688 1.00 0.00 N ATOM 1198 CA GLY A 76 1.731 -12.007 1.818 1.00 0.00 C ATOM 1199 C GLY A 76 1.153 -10.790 2.444 1.00 0.00 C ATOM 1200 O GLY A 76 0.565 -10.816 3.521 1.00 0.00 O ATOM 0 H GLY A 76 3.445 -10.905 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.282 -12.180 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.517 -12.885 2.427 1.00 0.00 H new ATOM 1204 N ASP A 77 1.353 -9.652 1.779 1.00 0.00 N ATOM 1205 CA ASP A 77 1.176 -8.359 2.374 1.00 0.00 C ATOM 1206 C ASP A 77 -0.253 -7.872 2.110 1.00 0.00 C ATOM 1207 O ASP A 77 -0.556 -7.178 1.139 1.00 0.00 O ATOM 1208 CB ASP A 77 2.301 -7.428 1.853 1.00 0.00 C ATOM 1209 CG ASP A 77 3.664 -7.938 2.303 1.00 0.00 C ATOM 1210 OD1 ASP A 77 4.185 -8.961 1.773 1.00 0.00 O ATOM 1211 OD2 ASP A 77 4.258 -7.289 3.204 1.00 0.00 O ATOM 0 H ASP A 77 1.645 -9.619 0.802 1.00 0.00 H new ATOM 0 HA ASP A 77 1.274 -8.379 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.266 -7.378 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.144 -6.415 2.224 1.00 0.00 H new ATOM 1216 N THR A 78 -1.188 -8.297 2.987 1.00 0.00 N ATOM 1217 CA THR A 78 -2.631 -8.093 2.869 1.00 0.00 C ATOM 1218 C THR A 78 -3.119 -6.778 3.453 1.00 0.00 C ATOM 1219 O THR A 78 -3.079 -6.571 4.666 1.00 0.00 O ATOM 1220 CB THR A 78 -3.432 -9.194 3.564 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.090 -9.314 4.942 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.115 -10.545 2.915 1.00 0.00 C ATOM 0 H THR A 78 -0.937 -8.813 3.830 1.00 0.00 H new ATOM 0 HA THR A 78 -2.797 -8.100 1.792 1.00 0.00 H new ATOM 0 HB THR A 78 -4.485 -8.927 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.950 -8.422 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.686 -11.330 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.383 -10.513 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.050 -10.755 3.013 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.641 -5.868 2.612 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.167 -4.585 3.055 1.00 0.00 C ATOM 1232 C ILE A 79 -5.650 -4.458 2.693 1.00 0.00 C ATOM 1233 O ILE A 79 -6.073 -4.791 1.584 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.295 -3.442 2.515 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.549 -2.102 3.241 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.409 -3.310 0.981 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.544 -1.011 2.852 1.00 0.00 C ATOM 0 H ILE A 79 -3.706 -6.012 1.604 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.120 -4.519 4.142 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.262 -3.709 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.558 -1.757 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.503 -2.264 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.777 -2.490 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.085 -4.239 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.445 -3.108 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.774 -0.094 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.536 -1.339 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.607 -0.824 1.780 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.504 -3.985 3.637 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.891 -3.646 3.343 1.00 0.00 C ATOM 1251 C GLU A 80 -7.953 -2.211 2.861 1.00 0.00 C ATOM 1252 O GLU A 80 -7.256 -1.333 3.373 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.908 -3.845 4.516 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.713 -2.944 5.772 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.894 -2.919 6.738 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.389 -4.011 7.116 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.348 -1.815 7.148 1.00 0.00 O ATOM 0 H GLU A 80 -6.239 -3.834 4.610 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.206 -4.356 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.912 -3.675 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.861 -4.887 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.829 -3.285 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.512 -1.925 5.442 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.773 -1.943 1.835 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.981 -0.612 1.303 1.00 0.00 C ATOM 1266 C VAL A 81 -10.461 -0.288 1.305 1.00 0.00 C ATOM 1267 O VAL A 81 -11.295 -0.972 0.710 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.395 -0.451 -0.094 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.825 0.881 -0.738 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.860 -0.484 0.027 1.00 0.00 C ATOM 0 H VAL A 81 -9.312 -2.662 1.353 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.454 0.092 1.947 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.760 -1.260 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.388 0.962 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.912 0.914 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.479 1.711 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.415 -0.370 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.528 0.331 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.549 -1.436 0.458 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.834 0.802 1.984 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.155 1.373 1.944 1.00 0.00 C ATOM 1282 C TYR A 82 -12.094 2.646 1.110 1.00 0.00 C ATOM 1283 O TYR A 82 -11.534 3.656 1.545 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.603 1.662 3.401 1.00 0.00 C ATOM 1285 CG TYR A 82 -14.040 2.087 3.519 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.398 3.441 3.404 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -15.037 1.142 3.809 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.729 3.845 3.585 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -16.366 1.546 4.002 1.00 0.00 C ATOM 1290 CZ TYR A 82 -16.707 2.898 3.896 1.00 0.00 C ATOM 1291 OH TYR A 82 -18.031 3.310 4.146 1.00 0.00 O ATOM 0 H TYR A 82 -10.195 1.316 2.590 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.879 0.696 1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.447 0.767 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.967 2.442 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.642 4.177 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.779 0.096 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.997 4.886 3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.125 0.814 4.232 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.585 2.527 4.346 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.668 2.650 -0.109 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.862 3.879 -0.848 1.00 0.00 C ATOM 1303 C GLN A 83 -14.266 4.398 -0.573 1.00 0.00 C ATOM 1304 O GLN A 83 -15.188 3.655 -0.244 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.636 3.691 -2.368 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.295 2.980 -2.684 1.00 0.00 C ATOM 1307 CD GLN A 83 -10.948 2.955 -4.173 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -9.894 3.431 -4.595 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.821 2.352 -5.004 1.00 0.00 N ATOM 0 H GLN A 83 -12.999 1.812 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.121 4.605 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.459 3.111 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.652 4.665 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.492 3.480 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.341 1.956 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.689 1.963 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.613 2.284 -6.000 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.479 5.721 -0.664 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.802 6.281 -0.474 1.00 0.00 C ATOM 1320 C GLN A 84 -16.715 6.072 -1.681 1.00 0.00 C ATOM 1321 O GLN A 84 -16.301 6.171 -2.837 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.727 7.801 -0.178 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.887 8.589 -1.215 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.213 10.080 -1.194 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -15.040 10.776 -0.193 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.715 10.601 -2.336 1.00 0.00 N ATOM 0 H GLN A 84 -13.752 6.407 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.226 5.748 0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.737 8.209 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.299 7.950 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.826 8.446 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.073 8.190 -2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.850 10.005 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.959 11.590 -2.381 1.00 0.00 H new ATOM 1335 N GLN A 85 -18.025 5.845 -1.440 1.00 0.00 N ATOM 1336 CA GLN A 85 -19.008 5.917 -2.506 1.00 0.00 C ATOM 1337 C GLN A 85 -19.125 7.356 -3.003 1.00 0.00 C ATOM 1338 O GLN A 85 -19.504 8.277 -2.279 1.00 0.00 O ATOM 1339 CB GLN A 85 -20.411 5.403 -2.104 1.00 0.00 C ATOM 1340 CG GLN A 85 -20.484 3.886 -1.803 1.00 0.00 C ATOM 1341 CD GLN A 85 -21.931 3.441 -1.577 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -22.889 4.223 -1.709 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -22.129 2.153 -1.238 1.00 0.00 N ATOM 0 H GLN A 85 -18.408 5.614 -0.523 1.00 0.00 H new ATOM 0 HA GLN A 85 -18.647 5.256 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -20.745 5.951 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -21.111 5.634 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -20.053 3.326 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.887 3.658 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.332 1.525 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -23.076 1.806 -1.085 1.00 0.00 H new ATOM 1352 N THR A 86 -18.720 7.581 -4.260 1.00 0.00 N ATOM 1353 CA THR A 86 -18.513 8.911 -4.810 1.00 0.00 C ATOM 1354 C THR A 86 -19.675 9.267 -5.698 1.00 0.00 C ATOM 1355 O THR A 86 -20.291 10.318 -5.537 1.00 0.00 O ATOM 1356 CB THR A 86 -17.205 9.028 -5.574 1.00 0.00 C ATOM 1357 OG1 THR A 86 -16.113 8.732 -4.706 1.00 0.00 O ATOM 1358 CG2 THR A 86 -16.999 10.472 -6.062 1.00 0.00 C ATOM 0 H THR A 86 -18.527 6.831 -4.924 1.00 0.00 H new ATOM 0 HA THR A 86 -18.451 9.612 -3.977 1.00 0.00 H new ATOM 0 HB THR A 86 -17.246 8.335 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.239 7.843 -4.314 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.058 10.541 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.821 10.755 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.972 11.145 -5.205 1.00 0.00 H new ATOM 1366 N GLY A 87 -20.015 8.380 -6.650 1.00 0.00 N ATOM 1367 CA GLY A 87 -21.111 8.607 -7.580 1.00 0.00 C ATOM 1368 C GLY A 87 -20.817 7.938 -8.887 1.00 0.00 C ATOM 1369 O GLY A 87 -20.275 8.545 -9.809 1.00 0.00 O ATOM 0 H GLY A 87 -19.533 7.492 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -22.040 8.218 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -21.254 9.677 -7.733 1.00 0.00 H new ATOM 1373 N GLY A 88 -21.161 6.651 -9.011 1.00 0.00 N ATOM 1374 CA GLY A 88 -20.920 5.883 -10.219 1.00 0.00 C ATOM 1375 C GLY A 88 -21.603 4.516 -10.155 1.00 0.00 C ATOM 1376 O GLY A 88 -22.248 4.176 -9.126 1.00 0.00 O ATOM 1377 OXT GLY A 88 -21.514 3.761 -11.159 1.00 0.00 O ATOM 0 H GLY A 88 -21.615 6.119 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -21.288 6.436 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -19.847 5.750 -10.360 1.00 0.00 H new TER 1381 GLY A 88