USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 55 SER OG : rot -117:sc= -0.0144 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -124:sc= -3.06 (180deg=-10.3!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00745) USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 59 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.7!) USER MOD Set 3.1: A 10 SER OG : rot 102:sc= 1.25 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 1.03 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.0503 (180deg=-0.442) USER MOD Single : A 13 THR OG1 : rot 140:sc= -2.72! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.119 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 131:sc= -0.587 (180deg=-1.11) USER MOD Single : A 30 TYR OH : rot -94:sc= 1.42 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.343 USER MOD Single : A 48 THR OG1 : rot -111:sc= -1.29 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0776 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 SER OG : rot 51:sc= -0.0934 USER MOD Single : A 70 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.2!) USER MOD Single : A 75 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.059) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 170:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -68:sc= 0.057 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.284 -2.117 -2.965 1.00 0.00 N ATOM 15 CA ASP A 2 -10.142 -3.495 -2.414 1.00 0.00 C ATOM 16 C ASP A 2 -8.665 -3.843 -2.206 1.00 0.00 C ATOM 17 O ASP A 2 -7.778 -3.114 -2.606 1.00 0.00 O ATOM 18 CB ASP A 2 -10.775 -4.494 -3.384 1.00 0.00 C ATOM 19 CG ASP A 2 -10.038 -4.453 -4.724 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.151 -3.628 -4.867 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.380 -5.245 -5.588 1.00 0.00 O ATOM 0 HA ASP A 2 -10.648 -3.544 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.731 -5.499 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.828 -4.255 -3.530 1.00 0.00 H new ATOM 26 N LEU A 3 -8.401 -4.951 -1.570 1.00 0.00 N ATOM 27 CA LEU A 3 -6.991 -5.353 -1.313 1.00 0.00 C ATOM 28 C LEU A 3 -6.376 -5.941 -2.584 1.00 0.00 C ATOM 29 O LEU A 3 -6.897 -6.876 -3.159 1.00 0.00 O ATOM 30 CB LEU A 3 -6.984 -6.407 -0.200 1.00 0.00 C ATOM 31 CG LEU A 3 -5.562 -6.938 0.029 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.606 -5.775 0.338 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.584 -7.916 1.208 1.00 0.00 C ATOM 0 H LEU A 3 -9.106 -5.598 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.405 -4.484 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.369 -5.973 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.647 -7.230 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.213 -7.446 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.600 -6.164 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.596 -5.079 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.942 -5.256 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.579 -8.300 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.934 -7.400 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.255 -8.744 0.981 1.00 0.00 H new ATOM 45 N VAL A 4 -5.258 -5.409 -3.015 1.00 0.00 N ATOM 46 CA VAL A 4 -4.587 -5.947 -4.246 1.00 0.00 C ATOM 47 C VAL A 4 -3.074 -6.006 -4.027 1.00 0.00 C ATOM 48 O VAL A 4 -2.537 -5.380 -3.137 1.00 0.00 O ATOM 49 CB VAL A 4 -4.897 -5.044 -5.436 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.400 -5.072 -5.712 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.461 -3.613 -5.123 1.00 0.00 C ATOM 0 H VAL A 4 -4.779 -4.626 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.960 -6.951 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.357 -5.400 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.626 -4.428 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.710 -6.092 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.938 -4.716 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.684 -2.970 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.999 -3.252 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.389 -3.594 -4.925 1.00 0.00 H new ATOM 61 N LYS A 5 -2.390 -6.769 -4.833 1.00 0.00 N ATOM 62 CA LYS A 5 -0.913 -6.897 -4.683 1.00 0.00 C ATOM 63 C LYS A 5 -0.203 -5.678 -5.288 1.00 0.00 C ATOM 64 O LYS A 5 -0.697 -5.038 -6.197 1.00 0.00 O ATOM 65 CB LYS A 5 -0.449 -8.163 -5.400 1.00 0.00 C ATOM 66 CG LYS A 5 -0.988 -9.390 -4.660 1.00 0.00 C ATOM 67 CD LYS A 5 -0.513 -10.662 -5.364 1.00 0.00 C ATOM 68 CE LYS A 5 -0.996 -11.889 -4.586 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.486 -11.929 -4.595 1.00 0.00 N ATOM 0 H LYS A 5 -2.794 -7.314 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.666 -6.953 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.803 -8.161 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.640 -8.196 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.644 -9.384 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.077 -9.362 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.897 -10.691 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.575 -10.667 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.595 -12.798 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.629 -11.850 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.809 -12.881 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.856 -11.236 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.834 -11.697 -5.547 1.00 0.00 H new ATOM 83 N ILE A 6 0.959 -5.359 -4.785 1.00 0.00 N ATOM 84 CA ILE A 6 1.722 -4.185 -5.305 1.00 0.00 C ATOM 85 C ILE A 6 2.060 -4.411 -6.782 1.00 0.00 C ATOM 86 O ILE A 6 1.949 -3.517 -7.597 1.00 0.00 O ATOM 87 CB ILE A 6 3.017 -4.045 -4.496 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.673 -3.645 -3.056 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.910 -2.974 -5.125 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.919 -3.774 -2.176 1.00 0.00 C ATOM 0 H ILE A 6 1.418 -5.866 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 6 1.125 -3.278 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 6 3.548 -4.997 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.302 -2.620 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.876 -4.282 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.828 -2.880 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.154 -3.259 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.384 -2.019 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.673 -3.489 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.270 -4.806 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.703 -3.119 -2.556 1.00 0.00 H new ATOM 102 N ARG A 7 2.477 -5.593 -7.135 1.00 0.00 N ATOM 103 CA ARG A 7 2.823 -5.869 -8.557 1.00 0.00 C ATOM 104 C ARG A 7 1.550 -5.817 -9.409 1.00 0.00 C ATOM 105 O ARG A 7 1.604 -5.689 -10.615 1.00 0.00 O ATOM 106 CB ARG A 7 3.454 -7.259 -8.661 1.00 0.00 C ATOM 107 CG ARG A 7 4.826 -7.255 -7.981 1.00 0.00 C ATOM 108 CD ARG A 7 5.434 -8.660 -8.041 1.00 0.00 C ATOM 109 NE ARG A 7 4.653 -9.575 -7.158 1.00 0.00 N ATOM 110 CZ ARG A 7 4.972 -10.839 -7.070 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.980 -11.310 -7.752 1.00 0.00 N ATOM 112 NH2 ARG A 7 4.282 -11.633 -6.296 1.00 0.00 N ATOM 0 H ARG A 7 2.594 -6.382 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 7 3.529 -5.121 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.806 -7.999 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.557 -7.545 -9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.485 -6.541 -8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.728 -6.934 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.424 -9.029 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.476 -8.631 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 7 3.866 -9.212 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.521 -10.691 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.227 -12.297 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.495 -11.266 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.530 -12.620 -6.227 1.00 0.00 H new ATOM 126 N ASP A 8 0.403 -5.922 -8.791 1.00 0.00 N ATOM 127 CA ASP A 8 -0.877 -5.881 -9.560 1.00 0.00 C ATOM 128 C ASP A 8 -1.365 -4.435 -9.665 1.00 0.00 C ATOM 129 O ASP A 8 -2.189 -4.106 -10.492 1.00 0.00 O ATOM 130 CB ASP A 8 -1.929 -6.709 -8.820 1.00 0.00 C ATOM 131 CG ASP A 8 -1.584 -8.196 -8.920 1.00 0.00 C ATOM 132 OD1 ASP A 8 -0.743 -8.538 -9.736 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.169 -8.968 -8.179 1.00 0.00 O ATOM 0 H ASP A 8 0.297 -6.035 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.716 -6.286 -10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.973 -6.406 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.915 -6.526 -9.247 1.00 0.00 H new ATOM 138 N VAL A 9 -0.874 -3.571 -8.819 1.00 0.00 N ATOM 139 CA VAL A 9 -1.326 -2.147 -8.858 1.00 0.00 C ATOM 140 C VAL A 9 -1.195 -1.581 -10.276 1.00 0.00 C ATOM 141 O VAL A 9 -0.200 -1.767 -10.948 1.00 0.00 O ATOM 142 CB VAL A 9 -0.476 -1.313 -7.889 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.718 0.184 -8.125 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.870 -1.662 -6.454 1.00 0.00 C ATOM 0 H VAL A 9 -0.181 -3.787 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.373 -2.102 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 9 0.578 -1.535 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.110 0.765 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.445 0.440 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.771 0.412 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.271 -1.074 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.926 -1.438 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.695 -2.723 -6.276 1.00 0.00 H new ATOM 154 N SER A 10 -2.201 -0.877 -10.723 1.00 0.00 N ATOM 155 CA SER A 10 -2.160 -0.274 -12.085 1.00 0.00 C ATOM 156 C SER A 10 -3.068 0.961 -12.121 1.00 0.00 C ATOM 157 O SER A 10 -3.860 1.192 -11.229 1.00 0.00 O ATOM 158 CB SER A 10 -2.647 -1.291 -13.115 1.00 0.00 C ATOM 159 OG SER A 10 -3.886 -1.837 -12.685 1.00 0.00 O ATOM 0 H SER A 10 -3.056 -0.693 -10.198 1.00 0.00 H new ATOM 0 HA SER A 10 -1.136 0.015 -12.321 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.765 -0.813 -14.088 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.909 -2.084 -13.237 1.00 0.00 H new ATOM 0 HG SER A 10 -4.619 -1.416 -13.181 1.00 0.00 H new ATOM 165 N LEU A 11 -2.949 1.755 -13.144 1.00 0.00 N ATOM 166 CA LEU A 11 -3.786 2.982 -13.251 1.00 0.00 C ATOM 167 C LEU A 11 -5.242 2.587 -13.490 1.00 0.00 C ATOM 168 O LEU A 11 -6.143 3.391 -13.369 1.00 0.00 O ATOM 169 CB LEU A 11 -3.264 3.817 -14.424 1.00 0.00 C ATOM 170 CG LEU A 11 -2.009 4.600 -14.000 1.00 0.00 C ATOM 171 CD1 LEU A 11 -2.369 5.736 -13.019 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.007 3.642 -13.340 1.00 0.00 C ATOM 0 H LEU A 11 -2.302 1.607 -13.919 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.732 3.563 -12.331 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.029 3.167 -15.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.037 4.508 -14.761 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.563 5.047 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.464 6.273 -12.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.064 6.425 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.834 5.314 -12.128 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.118 4.196 -13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.464 3.186 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.727 2.863 -14.049 1.00 0.00 H new ATOM 184 N SER A 12 -5.481 1.355 -13.828 1.00 0.00 N ATOM 185 CA SER A 12 -6.877 0.906 -14.065 1.00 0.00 C ATOM 186 C SER A 12 -7.684 1.094 -12.783 1.00 0.00 C ATOM 187 O SER A 12 -8.871 1.346 -12.820 1.00 0.00 O ATOM 188 CB SER A 12 -6.871 -0.568 -14.450 1.00 0.00 C ATOM 189 OG SER A 12 -6.277 -1.317 -13.399 1.00 0.00 O ATOM 0 H SER A 12 -4.767 0.637 -13.951 1.00 0.00 H new ATOM 0 HA SER A 12 -7.324 1.490 -14.869 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.889 -0.914 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.316 -0.713 -15.377 1.00 0.00 H new ATOM 0 HG SER A 12 -6.270 -2.267 -13.638 1.00 0.00 H new ATOM 195 N THR A 13 -7.041 0.971 -11.647 1.00 0.00 N ATOM 196 CA THR A 13 -7.751 1.139 -10.341 1.00 0.00 C ATOM 197 C THR A 13 -7.056 2.247 -9.539 1.00 0.00 C ATOM 198 O THR A 13 -6.197 1.985 -8.722 1.00 0.00 O ATOM 199 CB THR A 13 -7.694 -0.181 -9.568 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.938 0.070 -8.196 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.319 -0.830 -9.742 1.00 0.00 C ATOM 0 H THR A 13 -6.046 0.760 -11.569 1.00 0.00 H new ATOM 0 HA THR A 13 -8.793 1.412 -10.508 1.00 0.00 H new ATOM 0 HB THR A 13 -8.454 -0.860 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.507 -0.639 -7.830 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.287 -1.769 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.140 -1.026 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.549 -0.159 -9.362 1.00 0.00 H new ATOM 209 N PRO A 14 -7.421 3.485 -9.776 1.00 0.00 N ATOM 210 CA PRO A 14 -6.811 4.650 -9.069 1.00 0.00 C ATOM 211 C PRO A 14 -6.844 4.480 -7.550 1.00 0.00 C ATOM 212 O PRO A 14 -5.909 4.831 -6.864 1.00 0.00 O ATOM 213 CB PRO A 14 -7.690 5.840 -9.492 1.00 0.00 C ATOM 214 CG PRO A 14 -8.287 5.436 -10.801 1.00 0.00 C ATOM 215 CD PRO A 14 -8.445 3.914 -10.744 1.00 0.00 C ATOM 0 HA PRO A 14 -5.759 4.774 -9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.464 6.042 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.099 6.751 -9.592 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.250 5.922 -10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.644 5.730 -11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.446 3.629 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.285 3.459 -11.722 1.00 0.00 H new ATOM 223 N TYR A 15 -7.919 3.953 -7.024 1.00 0.00 N ATOM 224 CA TYR A 15 -8.028 3.768 -5.544 1.00 0.00 C ATOM 225 C TYR A 15 -7.880 2.289 -5.193 1.00 0.00 C ATOM 226 O TYR A 15 -8.509 1.434 -5.780 1.00 0.00 O ATOM 227 CB TYR A 15 -9.398 4.259 -5.077 1.00 0.00 C ATOM 228 CG TYR A 15 -9.486 5.757 -5.271 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.652 6.606 -4.531 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.396 6.297 -6.189 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.728 7.992 -4.708 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.473 7.684 -6.364 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.639 8.531 -5.624 1.00 0.00 C ATOM 234 OH TYR A 15 -9.717 9.898 -5.796 1.00 0.00 O ATOM 0 H TYR A 15 -8.730 3.641 -7.558 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.239 4.336 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.187 3.761 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.549 4.007 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.950 6.190 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.038 5.644 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.084 8.646 -4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.176 8.101 -7.070 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.399 10.105 -6.469 1.00 0.00 H new ATOM 244 N VAL A 16 -7.051 1.983 -4.232 1.00 0.00 N ATOM 245 CA VAL A 16 -6.862 0.556 -3.834 1.00 0.00 C ATOM 246 C VAL A 16 -6.431 0.482 -2.371 1.00 0.00 C ATOM 247 O VAL A 16 -6.330 1.484 -1.689 1.00 0.00 O ATOM 248 CB VAL A 16 -5.784 -0.088 -4.710 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.311 -0.258 -6.133 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.541 0.804 -4.736 1.00 0.00 C ATOM 0 H VAL A 16 -6.496 2.658 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.804 0.023 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.525 -1.063 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.541 -0.717 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.195 -0.896 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.574 0.717 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.775 0.343 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.802 1.780 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.159 0.925 -3.722 1.00 0.00 H new ATOM 260 N SER A 17 -6.170 -0.704 -1.884 1.00 0.00 N ATOM 261 CA SER A 17 -5.732 -0.860 -0.464 1.00 0.00 C ATOM 262 C SER A 17 -4.593 -1.878 -0.401 1.00 0.00 C ATOM 263 O SER A 17 -4.629 -2.907 -1.056 1.00 0.00 O ATOM 264 CB SER A 17 -6.906 -1.354 0.374 1.00 0.00 C ATOM 265 OG SER A 17 -7.999 -0.460 0.219 1.00 0.00 O ATOM 0 H SER A 17 -6.242 -1.574 -2.411 1.00 0.00 H new ATOM 0 HA SER A 17 -5.388 0.098 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.194 -2.358 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.618 -1.417 1.423 1.00 0.00 H new ATOM 0 HG SER A 17 -8.757 -0.774 0.755 1.00 0.00 H new ATOM 271 N VAL A 18 -3.580 -1.603 0.382 1.00 0.00 N ATOM 272 CA VAL A 18 -2.430 -2.555 0.496 1.00 0.00 C ATOM 273 C VAL A 18 -1.959 -2.626 1.945 1.00 0.00 C ATOM 274 O VAL A 18 -2.247 -1.760 2.746 1.00 0.00 O ATOM 275 CB VAL A 18 -1.278 -2.077 -0.390 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.701 -2.152 -1.857 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.915 -0.632 -0.034 1.00 0.00 C ATOM 0 H VAL A 18 -3.499 -0.759 0.949 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.752 -3.545 0.173 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.409 -2.715 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.881 -1.812 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.952 -3.182 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.572 -1.516 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.094 -0.296 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.781 0.010 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.611 -0.580 1.011 1.00 0.00 H new ATOM 287 N ILE A 19 -1.226 -3.656 2.278 1.00 0.00 N ATOM 288 CA ILE A 19 -0.704 -3.815 3.671 1.00 0.00 C ATOM 289 C ILE A 19 0.790 -4.113 3.613 1.00 0.00 C ATOM 290 O ILE A 19 1.234 -4.948 2.850 1.00 0.00 O ATOM 291 CB ILE A 19 -1.435 -4.972 4.351 1.00 0.00 C ATOM 292 CG1 ILE A 19 -2.906 -4.588 4.539 1.00 0.00 C ATOM 293 CG2 ILE A 19 -0.796 -5.250 5.715 1.00 0.00 C ATOM 294 CD1 ILE A 19 -3.736 -5.828 4.867 1.00 0.00 C ATOM 0 H ILE A 19 -0.963 -4.404 1.637 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.869 -2.899 4.238 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.365 -5.868 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.999 -3.856 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.285 -4.117 3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.318 -6.075 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.253 -5.514 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.868 -4.359 6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.780 -5.543 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.656 -6.546 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.365 -6.281 5.786 1.00 0.00 H new ATOM 306 N GLY A 20 1.578 -3.440 4.405 1.00 0.00 N ATOM 307 CA GLY A 20 3.041 -3.709 4.368 1.00 0.00 C ATOM 308 C GLY A 20 3.762 -2.814 5.371 1.00 0.00 C ATOM 309 O GLY A 20 3.145 -2.191 6.223 1.00 0.00 O ATOM 0 H GLY A 20 1.277 -2.725 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.232 -4.757 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.427 -3.529 3.365 1.00 0.00 H new ATOM 313 N LYS A 21 5.071 -2.752 5.283 1.00 0.00 N ATOM 314 CA LYS A 21 5.856 -1.907 6.239 1.00 0.00 C ATOM 315 C LYS A 21 6.495 -0.745 5.483 1.00 0.00 C ATOM 316 O LYS A 21 7.007 -0.906 4.392 1.00 0.00 O ATOM 317 CB LYS A 21 6.956 -2.763 6.855 1.00 0.00 C ATOM 318 CG LYS A 21 6.323 -3.977 7.534 1.00 0.00 C ATOM 319 CD LYS A 21 7.414 -4.946 8.002 1.00 0.00 C ATOM 320 CE LYS A 21 8.273 -4.292 9.088 1.00 0.00 C ATOM 321 NZ LYS A 21 9.039 -5.343 9.812 1.00 0.00 N ATOM 0 H LYS A 21 5.629 -3.251 4.590 1.00 0.00 H new ATOM 0 HA LYS A 21 5.199 -1.518 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.657 -3.086 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.524 -2.180 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.722 -3.656 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.650 -4.482 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.959 -5.858 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.040 -5.235 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.957 -3.571 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.641 -3.742 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.623 -4.901 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.377 -6.015 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.653 -5.849 9.142 1.00 0.00 H new ATOM 335 N ILE A 22 6.469 0.429 6.057 1.00 0.00 N ATOM 336 CA ILE A 22 7.069 1.619 5.384 1.00 0.00 C ATOM 337 C ILE A 22 8.474 1.864 5.932 1.00 0.00 C ATOM 338 O ILE A 22 8.681 1.894 7.134 1.00 0.00 O ATOM 339 CB ILE A 22 6.193 2.842 5.661 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.849 2.676 4.944 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.891 4.107 5.153 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.070 1.486 5.522 1.00 0.00 C ATOM 0 H ILE A 22 6.055 0.616 6.970 1.00 0.00 H new ATOM 0 HA ILE A 22 7.129 1.442 4.310 1.00 0.00 H new ATOM 0 HB ILE A 22 6.027 2.932 6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.260 3.588 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.016 2.524 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.262 4.975 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.846 4.226 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.062 4.022 4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.119 1.385 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.652 0.573 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.885 1.653 6.583 1.00 0.00 H new ATOM 354 N THR A 23 9.437 2.049 5.056 1.00 0.00 N ATOM 355 CA THR A 23 10.845 2.306 5.500 1.00 0.00 C ATOM 356 C THR A 23 11.433 3.484 4.717 1.00 0.00 C ATOM 357 O THR A 23 10.959 3.836 3.656 1.00 0.00 O ATOM 358 CB THR A 23 11.694 1.063 5.243 1.00 0.00 C ATOM 359 OG1 THR A 23 11.687 0.766 3.853 1.00 0.00 O ATOM 360 CG2 THR A 23 11.123 -0.119 6.028 1.00 0.00 C ATOM 0 H THR A 23 9.305 2.032 4.045 1.00 0.00 H new ATOM 0 HA THR A 23 10.845 2.542 6.564 1.00 0.00 H new ATOM 0 HB THR A 23 12.718 1.247 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.233 -0.031 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.730 -1.005 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.133 0.113 7.093 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.098 -0.308 5.708 1.00 0.00 H new ATOM 368 N GLY A 24 12.474 4.086 5.234 1.00 0.00 N ATOM 369 CA GLY A 24 13.118 5.242 4.533 1.00 0.00 C ATOM 370 C GLY A 24 12.652 6.553 5.170 1.00 0.00 C ATOM 371 O GLY A 24 13.375 7.182 5.912 1.00 0.00 O ATOM 0 H GLY A 24 12.910 3.825 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.203 5.160 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.859 5.228 3.474 1.00 0.00 H new ATOM 375 N ILE A 25 11.447 6.962 4.883 1.00 0.00 N ATOM 376 CA ILE A 25 10.907 8.230 5.460 1.00 0.00 C ATOM 377 C ILE A 25 11.795 9.414 5.081 1.00 0.00 C ATOM 378 O ILE A 25 12.959 9.476 5.422 1.00 0.00 O ATOM 379 CB ILE A 25 10.818 8.113 6.988 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.029 6.846 7.356 1.00 0.00 C ATOM 381 CG2 ILE A 25 10.120 9.351 7.566 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.655 6.848 6.668 1.00 0.00 C ATOM 0 H ILE A 25 10.804 6.467 4.266 1.00 0.00 H new ATOM 0 HA ILE A 25 9.910 8.399 5.053 1.00 0.00 H new ATOM 0 HB ILE A 25 11.822 8.048 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.591 5.961 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.901 6.792 8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.060 9.262 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.689 10.244 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.115 9.428 7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.111 5.944 6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.089 7.723 6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.790 6.879 5.587 1.00 0.00 H new ATOM 394 N HIS A 26 11.235 10.363 4.378 1.00 0.00 N ATOM 395 CA HIS A 26 12.008 11.570 3.966 1.00 0.00 C ATOM 396 C HIS A 26 11.072 12.777 3.962 1.00 0.00 C ATOM 397 O HIS A 26 9.918 12.672 3.598 1.00 0.00 O ATOM 398 CB HIS A 26 12.576 11.353 2.564 1.00 0.00 C ATOM 399 CG HIS A 26 13.579 10.237 2.605 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.206 8.905 2.525 1.00 0.00 N ATOM 401 CD2 HIS A 26 14.947 10.238 2.724 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.328 8.166 2.595 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.418 8.929 2.717 1.00 0.00 N ATOM 0 H HIS A 26 10.263 10.352 4.068 1.00 0.00 H new ATOM 0 HA HIS A 26 12.829 11.744 4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.774 11.111 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.047 12.268 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.563 11.121 2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.346 7.087 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.387 8.619 2.789 1.00 0.00 H new ATOM 411 N LYS A 27 11.556 13.920 4.369 1.00 0.00 N ATOM 412 CA LYS A 27 10.688 15.136 4.397 1.00 0.00 C ATOM 413 C LYS A 27 10.945 15.983 3.150 1.00 0.00 C ATOM 414 O LYS A 27 12.070 16.286 2.811 1.00 0.00 O ATOM 415 CB LYS A 27 11.020 15.954 5.645 1.00 0.00 C ATOM 416 CG LYS A 27 10.079 17.158 5.732 1.00 0.00 C ATOM 417 CD LYS A 27 10.360 17.936 7.019 1.00 0.00 C ATOM 418 CE LYS A 27 9.408 19.131 7.115 1.00 0.00 C ATOM 419 NZ LYS A 27 8.073 18.666 7.588 1.00 0.00 N ATOM 0 H LYS A 27 12.515 14.066 4.684 1.00 0.00 H new ATOM 0 HA LYS A 27 9.640 14.837 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.919 15.335 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.056 16.291 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.219 17.805 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.042 16.824 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.232 17.286 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.394 18.280 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.810 19.876 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.313 19.613 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.441 19.484 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.667 18.009 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.178 18.180 8.501 1.00 0.00 H new ATOM 433 N LYS A 28 9.901 16.369 2.465 1.00 0.00 N ATOM 434 CA LYS A 28 10.059 17.203 1.238 1.00 0.00 C ATOM 435 C LYS A 28 8.935 18.233 1.191 1.00 0.00 C ATOM 436 O LYS A 28 7.925 18.084 1.846 1.00 0.00 O ATOM 437 CB LYS A 28 9.988 16.311 0.002 1.00 0.00 C ATOM 438 CG LYS A 28 11.240 15.440 -0.059 1.00 0.00 C ATOM 439 CD LYS A 28 11.182 14.552 -1.300 1.00 0.00 C ATOM 440 CE LYS A 28 12.467 13.730 -1.393 1.00 0.00 C ATOM 441 NZ LYS A 28 12.557 12.814 -0.221 1.00 0.00 N ATOM 0 H LYS A 28 8.937 16.140 2.706 1.00 0.00 H new ATOM 0 HA LYS A 28 11.023 17.711 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.096 15.685 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.910 16.921 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.131 16.067 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.312 14.825 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.317 13.891 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.063 15.164 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.477 13.155 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.333 14.391 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.777 11.852 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.308 13.142 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.649 12.808 0.286 1.00 0.00 H new ATOM 455 N GLU A 29 9.106 19.283 0.426 1.00 0.00 N ATOM 456 CA GLU A 29 8.049 20.337 0.334 1.00 0.00 C ATOM 457 C GLU A 29 7.609 20.487 -1.119 1.00 0.00 C ATOM 458 O GLU A 29 8.403 20.402 -2.034 1.00 0.00 O ATOM 459 CB GLU A 29 8.626 21.666 0.837 1.00 0.00 C ATOM 460 CG GLU A 29 8.895 21.571 2.350 1.00 0.00 C ATOM 461 CD GLU A 29 10.244 20.887 2.598 1.00 0.00 C ATOM 462 OE1 GLU A 29 10.841 20.426 1.638 1.00 0.00 O ATOM 463 OE2 GLU A 29 10.649 20.820 3.746 1.00 0.00 O ATOM 0 H GLU A 29 9.936 19.456 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 29 7.190 20.056 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.550 21.897 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.929 22.478 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.896 22.568 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.097 21.008 2.835 1.00 0.00 H new ATOM 470 N TYR A 30 6.339 20.712 -1.340 1.00 0.00 N ATOM 471 CA TYR A 30 5.830 20.864 -2.736 1.00 0.00 C ATOM 472 C TYR A 30 4.756 21.951 -2.755 1.00 0.00 C ATOM 473 O TYR A 30 4.193 22.300 -1.736 1.00 0.00 O ATOM 474 CB TYR A 30 5.235 19.535 -3.216 1.00 0.00 C ATOM 475 CG TYR A 30 3.971 19.210 -2.440 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.038 18.900 -1.074 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.730 19.205 -3.094 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.868 18.590 -0.367 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.563 18.895 -2.385 1.00 0.00 C ATOM 480 CZ TYR A 30 1.632 18.587 -1.023 1.00 0.00 C ATOM 481 OH TYR A 30 0.480 18.279 -0.327 1.00 0.00 O ATOM 0 H TYR A 30 5.631 20.797 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 30 6.648 21.144 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.011 19.593 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.964 18.735 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.991 18.900 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.675 19.441 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.921 18.353 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.609 18.894 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 30 0.283 17.324 -0.426 1.00 0.00 H new ATOM 491 N GLU A 31 4.475 22.502 -3.903 1.00 0.00 N ATOM 492 CA GLU A 31 3.444 23.576 -3.987 1.00 0.00 C ATOM 493 C GLU A 31 2.071 22.960 -4.248 1.00 0.00 C ATOM 494 O GLU A 31 1.834 22.367 -5.281 1.00 0.00 O ATOM 495 CB GLU A 31 3.810 24.524 -5.127 1.00 0.00 C ATOM 496 CG GLU A 31 5.065 25.304 -4.738 1.00 0.00 C ATOM 497 CD GLU A 31 5.474 26.229 -5.884 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.802 26.213 -6.901 1.00 0.00 O ATOM 499 OE2 GLU A 31 6.453 26.940 -5.723 1.00 0.00 O ATOM 0 H GLU A 31 4.916 22.255 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 31 3.409 24.125 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.985 23.961 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.986 25.210 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.877 25.887 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.877 24.614 -4.508 1.00 0.00 H new ATOM 506 N SER A 32 1.162 23.103 -3.314 1.00 0.00 N ATOM 507 CA SER A 32 -0.211 22.536 -3.483 1.00 0.00 C ATOM 508 C SER A 32 -1.213 23.683 -3.652 1.00 0.00 C ATOM 509 O SER A 32 -1.423 24.477 -2.757 1.00 0.00 O ATOM 510 CB SER A 32 -0.564 21.715 -2.243 1.00 0.00 C ATOM 511 OG SER A 32 -1.655 20.857 -2.548 1.00 0.00 O ATOM 0 H SER A 32 1.316 23.594 -2.433 1.00 0.00 H new ATOM 0 HA SER A 32 -0.247 21.896 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.297 21.129 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.825 22.376 -1.416 1.00 0.00 H new ATOM 0 HG SER A 32 -1.885 20.326 -1.757 1.00 0.00 H new ATOM 517 N ASP A 33 -1.828 23.771 -4.798 1.00 0.00 N ATOM 518 CA ASP A 33 -2.815 24.859 -5.050 1.00 0.00 C ATOM 519 C ASP A 33 -2.172 26.220 -4.773 1.00 0.00 C ATOM 520 O ASP A 33 -2.831 27.165 -4.389 1.00 0.00 O ATOM 521 CB ASP A 33 -4.046 24.661 -4.158 1.00 0.00 C ATOM 522 CG ASP A 33 -4.851 23.466 -4.677 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.588 23.036 -5.788 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.715 22.997 -3.954 1.00 0.00 O ATOM 0 H ASP A 33 -1.688 23.130 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.128 24.825 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.739 24.489 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.662 25.560 -4.162 1.00 0.00 H new ATOM 529 N GLY A 34 -0.889 26.335 -4.996 1.00 0.00 N ATOM 530 CA GLY A 34 -0.198 27.641 -4.777 1.00 0.00 C ATOM 531 C GLY A 34 0.248 27.770 -3.320 1.00 0.00 C ATOM 532 O GLY A 34 0.803 28.775 -2.931 1.00 0.00 O ATOM 0 H GLY A 34 -0.288 25.578 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.666 27.718 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.868 28.462 -5.033 1.00 0.00 H new ATOM 536 N THR A 35 0.014 26.763 -2.511 1.00 0.00 N ATOM 537 CA THR A 35 0.427 26.831 -1.069 1.00 0.00 C ATOM 538 C THR A 35 1.448 25.731 -0.774 1.00 0.00 C ATOM 539 O THR A 35 1.245 24.576 -1.081 1.00 0.00 O ATOM 540 CB THR A 35 -0.802 26.648 -0.184 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.754 27.655 -0.502 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.385 26.777 1.281 1.00 0.00 C ATOM 0 H THR A 35 -0.446 25.895 -2.786 1.00 0.00 H new ATOM 0 HA THR A 35 0.880 27.801 -0.864 1.00 0.00 H new ATOM 0 HB THR A 35 -1.242 25.665 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.548 27.544 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.258 26.647 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.355 26.012 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.046 27.764 1.451 1.00 0.00 H new ATOM 550 N THR A 36 2.555 26.094 -0.189 1.00 0.00 N ATOM 551 CA THR A 36 3.611 25.091 0.121 1.00 0.00 C ATOM 552 C THR A 36 3.128 24.127 1.205 1.00 0.00 C ATOM 553 O THR A 36 2.676 24.537 2.256 1.00 0.00 O ATOM 554 CB THR A 36 4.855 25.828 0.613 1.00 0.00 C ATOM 555 OG1 THR A 36 5.205 26.832 -0.329 1.00 0.00 O ATOM 556 CG2 THR A 36 6.011 24.843 0.769 1.00 0.00 C ATOM 0 H THR A 36 2.775 27.050 0.090 1.00 0.00 H new ATOM 0 HA THR A 36 3.841 24.517 -0.777 1.00 0.00 H new ATOM 0 HB THR A 36 4.648 26.288 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.002 27.309 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.896 25.373 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.739 24.074 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.225 24.378 -0.193 1.00 0.00 H new ATOM 564 N LYS A 37 3.234 22.844 0.961 1.00 0.00 N ATOM 565 CA LYS A 37 2.793 21.832 1.972 1.00 0.00 C ATOM 566 C LYS A 37 3.870 20.762 2.128 1.00 0.00 C ATOM 567 O LYS A 37 4.564 20.415 1.195 1.00 0.00 O ATOM 568 CB LYS A 37 1.487 21.189 1.499 1.00 0.00 C ATOM 569 CG LYS A 37 0.346 22.218 1.501 1.00 0.00 C ATOM 570 CD LYS A 37 -0.134 22.482 2.936 1.00 0.00 C ATOM 571 CE LYS A 37 -1.388 23.354 2.899 1.00 0.00 C ATOM 572 NZ LYS A 37 -1.890 23.536 4.288 1.00 0.00 N ATOM 0 H LYS A 37 3.610 22.451 0.098 1.00 0.00 H new ATOM 0 HA LYS A 37 2.633 22.318 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.617 20.784 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.231 20.353 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.686 23.149 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.483 21.853 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.348 21.539 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.650 22.978 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.161 24.321 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.154 22.887 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.744 24.129 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.119 22.608 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.158 23.998 4.864 1.00 0.00 H new ATOM 586 N SER A 38 4.021 20.248 3.315 1.00 0.00 N ATOM 587 CA SER A 38 5.059 19.212 3.555 1.00 0.00 C ATOM 588 C SER A 38 4.545 17.846 3.110 1.00 0.00 C ATOM 589 O SER A 38 3.381 17.530 3.261 1.00 0.00 O ATOM 590 CB SER A 38 5.383 19.176 5.045 1.00 0.00 C ATOM 591 OG SER A 38 5.581 20.503 5.511 1.00 0.00 O ATOM 0 H SER A 38 3.467 20.503 4.133 1.00 0.00 H new ATOM 0 HA SER A 38 5.956 19.454 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.570 18.702 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.278 18.579 5.221 1.00 0.00 H new ATOM 0 HG SER A 38 5.788 20.486 6.469 1.00 0.00 H new ATOM 597 N VAL A 39 5.411 17.026 2.574 1.00 0.00 N ATOM 598 CA VAL A 39 4.992 15.664 2.125 1.00 0.00 C ATOM 599 C VAL A 39 6.046 14.649 2.565 1.00 0.00 C ATOM 600 O VAL A 39 7.233 14.896 2.484 1.00 0.00 O ATOM 601 CB VAL A 39 4.857 15.648 0.599 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.220 15.881 -0.053 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.299 14.298 0.153 1.00 0.00 C ATOM 0 H VAL A 39 6.397 17.242 2.427 1.00 0.00 H new ATOM 0 HA VAL A 39 4.031 15.406 2.569 1.00 0.00 H new ATOM 0 HB VAL A 39 4.179 16.444 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.112 15.868 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.613 16.848 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.909 15.094 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.202 14.285 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.976 13.503 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.320 14.141 0.606 1.00 0.00 H new ATOM 613 N TYR A 40 5.618 13.504 3.030 1.00 0.00 N ATOM 614 CA TYR A 40 6.581 12.454 3.481 1.00 0.00 C ATOM 615 C TYR A 40 6.663 11.365 2.415 1.00 0.00 C ATOM 616 O TYR A 40 5.656 10.878 1.941 1.00 0.00 O ATOM 617 CB TYR A 40 6.081 11.854 4.793 1.00 0.00 C ATOM 618 CG TYR A 40 6.179 12.895 5.880 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.136 13.809 6.069 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.314 12.947 6.695 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.231 14.779 7.075 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.408 13.915 7.701 1.00 0.00 C ATOM 623 CZ TYR A 40 6.368 14.830 7.891 1.00 0.00 C ATOM 624 OH TYR A 40 6.462 15.785 8.883 1.00 0.00 O ATOM 0 H TYR A 40 4.634 13.249 3.117 1.00 0.00 H new ATOM 0 HA TYR A 40 7.569 12.889 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.049 11.519 4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.674 10.978 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.259 13.766 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.118 12.241 6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.428 15.487 7.221 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.284 13.955 8.331 1.00 0.00 H new ATOM 0 HH TYR A 40 7.313 15.681 9.357 1.00 0.00 H new ATOM 634 N GLN A 41 7.855 10.984 2.031 1.00 0.00 N ATOM 635 CA GLN A 41 8.022 9.924 0.986 1.00 0.00 C ATOM 636 C GLN A 41 8.885 8.797 1.539 1.00 0.00 C ATOM 637 O GLN A 41 9.666 8.989 2.448 1.00 0.00 O ATOM 638 CB GLN A 41 8.701 10.533 -0.241 1.00 0.00 C ATOM 639 CG GLN A 41 7.734 11.504 -0.920 1.00 0.00 C ATOM 640 CD GLN A 41 8.420 12.156 -2.119 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.538 11.819 -2.451 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.793 13.085 -2.788 1.00 0.00 N ATOM 0 H GLN A 41 8.727 11.364 2.399 1.00 0.00 H new ATOM 0 HA GLN A 41 7.046 9.527 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.612 11.054 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.995 9.747 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.839 10.974 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.413 12.268 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.854 13.368 -2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.242 13.528 -3.590 1.00 0.00 H new ATOM 651 N GLY A 42 8.745 7.621 0.998 1.00 0.00 N ATOM 652 CA GLY A 42 9.551 6.476 1.494 1.00 0.00 C ATOM 653 C GLY A 42 9.281 5.253 0.621 1.00 0.00 C ATOM 654 O GLY A 42 8.814 5.370 -0.495 1.00 0.00 O ATOM 0 H GLY A 42 8.106 7.404 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.612 6.726 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.297 6.260 2.532 1.00 0.00 H new ATOM 658 N TYR A 43 9.578 4.080 1.121 1.00 0.00 N ATOM 659 CA TYR A 43 9.350 2.829 0.330 1.00 0.00 C ATOM 660 C TYR A 43 8.533 1.842 1.157 1.00 0.00 C ATOM 661 O TYR A 43 8.739 1.695 2.344 1.00 0.00 O ATOM 662 CB TYR A 43 10.700 2.203 -0.015 1.00 0.00 C ATOM 663 CG TYR A 43 11.419 3.090 -0.998 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.241 4.126 -0.540 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.260 2.875 -2.371 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.903 4.949 -1.458 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.922 3.697 -3.289 1.00 0.00 C ATOM 668 CZ TYR A 43 12.745 4.734 -2.833 1.00 0.00 C ATOM 669 OH TYR A 43 13.398 5.543 -3.739 1.00 0.00 O ATOM 0 H TYR A 43 9.972 3.933 2.050 1.00 0.00 H new ATOM 0 HA TYR A 43 8.808 3.069 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.299 2.080 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.556 1.210 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.364 4.290 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.626 2.074 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.536 5.750 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.798 3.532 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 43 13.590 5.033 -4.554 1.00 0.00 H new ATOM 679 N ILE A 44 7.616 1.150 0.528 1.00 0.00 N ATOM 680 CA ILE A 44 6.782 0.144 1.254 1.00 0.00 C ATOM 681 C ILE A 44 7.059 -1.225 0.648 1.00 0.00 C ATOM 682 O ILE A 44 7.152 -1.359 -0.552 1.00 0.00 O ATOM 683 CB ILE A 44 5.299 0.491 1.089 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.460 -0.461 1.945 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.889 0.345 -0.379 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.029 0.069 2.043 1.00 0.00 C ATOM 0 H ILE A 44 7.408 1.240 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 44 7.027 0.144 2.316 1.00 0.00 H new ATOM 0 HB ILE A 44 5.133 1.520 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.460 -1.458 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.895 -0.551 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.833 0.593 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.486 1.020 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.055 -0.682 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.431 -0.609 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.038 1.058 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.597 0.136 1.045 1.00 0.00 H new ATOM 698 N GLU A 45 7.212 -2.240 1.464 1.00 0.00 N ATOM 699 CA GLU A 45 7.503 -3.608 0.922 1.00 0.00 C ATOM 700 C GLU A 45 6.616 -4.640 1.616 1.00 0.00 C ATOM 701 O GLU A 45 6.218 -4.475 2.754 1.00 0.00 O ATOM 702 CB GLU A 45 8.976 -3.949 1.176 1.00 0.00 C ATOM 703 CG GLU A 45 9.289 -5.323 0.578 1.00 0.00 C ATOM 704 CD GLU A 45 10.774 -5.637 0.763 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.424 -4.916 1.503 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.235 -6.594 0.165 1.00 0.00 O ATOM 0 H GLU A 45 7.148 -2.182 2.480 1.00 0.00 H new ATOM 0 HA GLU A 45 7.300 -3.623 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.619 -3.190 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.181 -3.950 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.682 -6.088 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.033 -5.336 -0.482 1.00 0.00 H new ATOM 713 N ASP A 46 6.309 -5.713 0.929 1.00 0.00 N ATOM 714 CA ASP A 46 5.452 -6.776 1.531 1.00 0.00 C ATOM 715 C ASP A 46 5.914 -8.146 1.028 1.00 0.00 C ATOM 716 O ASP A 46 7.076 -8.354 0.739 1.00 0.00 O ATOM 717 CB ASP A 46 3.993 -6.548 1.122 1.00 0.00 C ATOM 718 CG ASP A 46 3.855 -6.677 -0.397 1.00 0.00 C ATOM 719 OD1 ASP A 46 4.871 -6.838 -1.054 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.735 -6.610 -0.878 1.00 0.00 O ATOM 0 H ASP A 46 6.617 -5.897 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 46 5.535 -6.739 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.349 -7.274 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.666 -5.559 1.444 1.00 0.00 H new ATOM 725 N ASP A 47 5.013 -9.086 0.930 1.00 0.00 N ATOM 726 CA ASP A 47 5.393 -10.448 0.455 1.00 0.00 C ATOM 727 C ASP A 47 5.359 -10.490 -1.076 1.00 0.00 C ATOM 728 O ASP A 47 5.670 -11.495 -1.682 1.00 0.00 O ATOM 729 CB ASP A 47 4.412 -11.474 1.029 1.00 0.00 C ATOM 730 CG ASP A 47 2.979 -11.051 0.704 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.809 -9.963 0.183 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.077 -11.825 0.982 1.00 0.00 O ATOM 0 H ASP A 47 4.026 -8.969 1.159 1.00 0.00 H new ATOM 0 HA ASP A 47 6.402 -10.685 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.615 -12.460 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.543 -11.553 2.108 1.00 0.00 H new ATOM 737 N THR A 48 4.988 -9.403 -1.709 1.00 0.00 N ATOM 738 CA THR A 48 4.937 -9.370 -3.206 1.00 0.00 C ATOM 739 C THR A 48 6.147 -8.602 -3.743 1.00 0.00 C ATOM 740 O THR A 48 6.978 -9.146 -4.439 1.00 0.00 O ATOM 741 CB THR A 48 3.663 -8.655 -3.652 1.00 0.00 C ATOM 742 OG1 THR A 48 3.652 -7.342 -3.110 1.00 0.00 O ATOM 743 CG2 THR A 48 2.434 -9.420 -3.157 1.00 0.00 C ATOM 0 H THR A 48 4.717 -8.533 -1.251 1.00 0.00 H new ATOM 0 HA THR A 48 4.947 -10.390 -3.590 1.00 0.00 H new ATOM 0 HB THR A 48 3.638 -8.607 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.953 -7.276 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.530 -8.904 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.443 -10.429 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.453 -9.474 -2.068 1.00 0.00 H new ATOM 751 N ALA A 49 6.253 -7.340 -3.427 1.00 0.00 N ATOM 752 CA ALA A 49 7.411 -6.545 -3.929 1.00 0.00 C ATOM 753 C ALA A 49 7.501 -5.222 -3.172 1.00 0.00 C ATOM 754 O ALA A 49 7.133 -5.132 -2.017 1.00 0.00 O ATOM 755 CB ALA A 49 7.220 -6.251 -5.415 1.00 0.00 C ATOM 0 H ALA A 49 5.591 -6.826 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 49 8.326 -7.117 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.066 -5.670 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.157 -7.189 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.300 -5.684 -5.558 1.00 0.00 H new ATOM 761 N ARG A 50 7.988 -4.189 -3.818 1.00 0.00 N ATOM 762 CA ARG A 50 8.106 -2.861 -3.139 1.00 0.00 C ATOM 763 C ARG A 50 7.735 -1.742 -4.114 1.00 0.00 C ATOM 764 O ARG A 50 7.893 -1.873 -5.311 1.00 0.00 O ATOM 765 CB ARG A 50 9.545 -2.667 -2.640 1.00 0.00 C ATOM 766 CG ARG A 50 10.512 -2.603 -3.828 1.00 0.00 C ATOM 767 CD ARG A 50 11.954 -2.557 -3.313 1.00 0.00 C ATOM 768 NE ARG A 50 12.191 -1.264 -2.607 1.00 0.00 N ATOM 769 CZ ARG A 50 13.340 -1.028 -2.029 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.288 -1.925 -2.062 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.540 0.106 -1.417 1.00 0.00 N ATOM 0 H ARG A 50 8.309 -4.209 -4.786 1.00 0.00 H new ATOM 0 HA ARG A 50 7.423 -2.828 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.615 -1.750 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.823 -3.488 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.372 -3.472 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.303 -1.721 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.136 -3.392 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.651 -2.663 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 50 11.453 -0.561 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.134 -2.813 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.183 -1.738 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.801 0.808 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.436 0.291 -0.966 1.00 0.00 H new ATOM 785 N ILE A 51 7.241 -0.638 -3.612 1.00 0.00 N ATOM 786 CA ILE A 51 6.862 0.490 -4.515 1.00 0.00 C ATOM 787 C ILE A 51 7.044 1.830 -3.793 1.00 0.00 C ATOM 788 O ILE A 51 7.079 1.898 -2.580 1.00 0.00 O ATOM 789 CB ILE A 51 5.404 0.333 -4.945 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.023 1.493 -5.865 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.500 0.342 -3.712 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.691 1.186 -6.547 1.00 0.00 C ATOM 0 H ILE A 51 7.084 -0.470 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 51 7.506 0.472 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 51 5.280 -0.612 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.945 2.416 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.800 1.648 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.461 0.230 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.774 -0.483 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.620 1.286 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.419 2.013 -7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.785 0.273 -7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.917 1.053 -5.791 1.00 0.00 H new ATOM 804 N ARG A 52 7.168 2.898 -4.536 1.00 0.00 N ATOM 805 CA ARG A 52 7.355 4.238 -3.909 1.00 0.00 C ATOM 806 C ARG A 52 6.048 4.693 -3.259 1.00 0.00 C ATOM 807 O ARG A 52 4.974 4.397 -3.743 1.00 0.00 O ATOM 808 CB ARG A 52 7.756 5.243 -4.991 1.00 0.00 C ATOM 809 CG ARG A 52 9.131 4.867 -5.544 1.00 0.00 C ATOM 810 CD ARG A 52 9.508 5.820 -6.680 1.00 0.00 C ATOM 811 NE ARG A 52 9.637 7.209 -6.148 1.00 0.00 N ATOM 812 CZ ARG A 52 10.768 7.622 -5.637 1.00 0.00 C ATOM 813 NH1 ARG A 52 11.800 6.824 -5.587 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.864 8.839 -5.175 1.00 0.00 N ATOM 0 H ARG A 52 7.148 2.899 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 52 8.133 4.178 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.017 5.246 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.781 6.251 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.878 4.916 -4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.119 3.839 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.447 5.506 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.749 5.788 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 52 8.837 7.841 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.727 5.873 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.679 7.152 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.059 9.464 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.744 9.165 -4.776 1.00 0.00 H new ATOM 828 N ILE A 53 6.130 5.423 -2.171 1.00 0.00 N ATOM 829 CA ILE A 53 4.886 5.913 -1.491 1.00 0.00 C ATOM 830 C ILE A 53 5.052 7.373 -1.074 1.00 0.00 C ATOM 831 O ILE A 53 6.140 7.829 -0.780 1.00 0.00 O ATOM 832 CB ILE A 53 4.601 5.050 -0.257 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.803 5.076 0.701 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.334 3.611 -0.693 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.482 4.292 1.991 1.00 0.00 C ATOM 0 H ILE A 53 7.004 5.701 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 53 4.050 5.840 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 53 3.727 5.449 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.675 4.642 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.056 6.107 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.131 2.997 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.472 3.587 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.208 3.221 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.344 4.321 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.624 4.744 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.252 3.257 1.740 1.00 0.00 H new ATOM 847 N SER A 54 3.972 8.106 -1.038 1.00 0.00 N ATOM 848 CA SER A 54 4.041 9.540 -0.636 1.00 0.00 C ATOM 849 C SER A 54 2.806 9.888 0.189 1.00 0.00 C ATOM 850 O SER A 54 1.708 9.484 -0.131 1.00 0.00 O ATOM 851 CB SER A 54 4.085 10.417 -1.887 1.00 0.00 C ATOM 852 OG SER A 54 4.087 11.784 -1.500 1.00 0.00 O ATOM 0 H SER A 54 3.038 7.770 -1.272 1.00 0.00 H new ATOM 0 HA SER A 54 4.938 9.714 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.976 10.191 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.225 10.208 -2.523 1.00 0.00 H new ATOM 0 HG SER A 54 4.117 12.350 -2.299 1.00 0.00 H new ATOM 858 N SER A 55 2.977 10.640 1.248 1.00 0.00 N ATOM 859 CA SER A 55 1.813 11.027 2.107 1.00 0.00 C ATOM 860 C SER A 55 1.842 12.536 2.341 1.00 0.00 C ATOM 861 O SER A 55 2.870 13.110 2.636 1.00 0.00 O ATOM 862 CB SER A 55 1.910 10.291 3.442 1.00 0.00 C ATOM 863 OG SER A 55 0.827 10.683 4.274 1.00 0.00 O ATOM 0 H SER A 55 3.878 11.005 1.557 1.00 0.00 H new ATOM 0 HA SER A 55 0.879 10.758 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.887 9.214 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.858 10.519 3.928 1.00 0.00 H new ATOM 0 HG SER A 55 1.174 11.125 5.077 1.00 0.00 H new ATOM 869 N PHE A 56 0.720 13.186 2.189 1.00 0.00 N ATOM 870 CA PHE A 56 0.674 14.667 2.375 1.00 0.00 C ATOM 871 C PHE A 56 0.293 15.029 3.815 1.00 0.00 C ATOM 872 O PHE A 56 -0.746 14.645 4.312 1.00 0.00 O ATOM 873 CB PHE A 56 -0.361 15.246 1.413 1.00 0.00 C ATOM 874 CG PHE A 56 0.033 14.899 -0.006 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.197 15.444 -0.558 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.761 14.030 -0.768 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.569 15.123 -1.868 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.388 13.709 -2.078 1.00 0.00 C ATOM 879 CZ PHE A 56 0.777 14.256 -2.629 1.00 0.00 C ATOM 0 H PHE A 56 -0.171 12.754 1.943 1.00 0.00 H new ATOM 0 HA PHE A 56 1.661 15.082 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.349 14.845 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.422 16.328 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.809 16.113 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.660 13.608 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.468 15.545 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.999 13.039 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.064 14.009 -3.640 1.00 0.00 H new ATOM 889 N GLY A 57 1.121 15.798 4.475 1.00 0.00 N ATOM 890 CA GLY A 57 0.809 16.224 5.870 1.00 0.00 C ATOM 891 C GLY A 57 1.056 15.075 6.848 1.00 0.00 C ATOM 892 O GLY A 57 1.783 15.215 7.810 1.00 0.00 O ATOM 0 H GLY A 57 2.004 16.150 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.426 17.080 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.230 16.547 5.934 1.00 0.00 H new ATOM 896 N LYS A 58 0.448 13.945 6.629 1.00 0.00 N ATOM 897 CA LYS A 58 0.644 12.809 7.570 1.00 0.00 C ATOM 898 C LYS A 58 2.057 12.240 7.432 1.00 0.00 C ATOM 899 O LYS A 58 2.538 11.985 6.345 1.00 0.00 O ATOM 900 CB LYS A 58 -0.391 11.729 7.267 1.00 0.00 C ATOM 901 CG LYS A 58 -1.771 12.242 7.681 1.00 0.00 C ATOM 902 CD LYS A 58 -2.821 11.158 7.422 1.00 0.00 C ATOM 903 CE LYS A 58 -2.962 10.895 5.914 1.00 0.00 C ATOM 904 NZ LYS A 58 -1.986 9.843 5.508 1.00 0.00 N ATOM 0 H LYS A 58 -0.174 13.758 5.842 1.00 0.00 H new ATOM 0 HA LYS A 58 0.517 13.161 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.382 11.484 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.151 10.813 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.767 12.514 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.018 13.143 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.536 10.238 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.781 11.467 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.978 10.575 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.781 11.812 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.381 10.207 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.395 9.584 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.500 9.003 5.173 1.00 0.00 H new ATOM 918 N GLN A 59 2.728 12.047 8.539 1.00 0.00 N ATOM 919 CA GLN A 59 4.120 11.504 8.507 1.00 0.00 C ATOM 920 C GLN A 59 4.100 9.993 8.744 1.00 0.00 C ATOM 921 O GLN A 59 3.188 9.463 9.347 1.00 0.00 O ATOM 922 CB GLN A 59 4.946 12.188 9.599 1.00 0.00 C ATOM 923 CG GLN A 59 4.343 11.894 10.976 1.00 0.00 C ATOM 924 CD GLN A 59 5.130 12.658 12.042 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.840 13.591 11.732 1.00 0.00 O ATOM 926 NE2 GLN A 59 5.037 12.298 13.293 1.00 0.00 N ATOM 0 H GLN A 59 2.367 12.244 9.472 1.00 0.00 H new ATOM 0 HA GLN A 59 4.564 11.699 7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.976 11.835 9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.971 13.264 9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.294 12.191 10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.376 10.824 11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.440 11.513 13.555 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.561 12.801 14.009 1.00 0.00 H new ATOM 935 N LEU A 60 5.106 9.297 8.271 1.00 0.00 N ATOM 936 CA LEU A 60 5.171 7.813 8.453 1.00 0.00 C ATOM 937 C LEU A 60 6.475 7.457 9.164 1.00 0.00 C ATOM 938 O LEU A 60 7.459 8.161 9.065 1.00 0.00 O ATOM 939 CB LEU A 60 5.135 7.140 7.082 1.00 0.00 C ATOM 940 CG LEU A 60 3.864 7.556 6.336 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.894 6.962 4.926 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.620 7.048 7.082 1.00 0.00 C ATOM 0 H LEU A 60 5.893 9.699 7.761 1.00 0.00 H new ATOM 0 HA LEU A 60 4.325 7.471 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.016 7.422 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.162 6.056 7.197 1.00 0.00 H new ATOM 0 HG LEU A 60 3.820 8.644 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.992 7.254 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.770 7.333 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.942 5.875 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.723 7.350 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.654 5.961 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.599 7.472 8.086 1.00 0.00 H new ATOM 954 N GLN A 61 6.477 6.374 9.898 1.00 0.00 N ATOM 955 CA GLN A 61 7.703 5.961 10.647 1.00 0.00 C ATOM 956 C GLN A 61 8.393 4.801 9.930 1.00 0.00 C ATOM 957 O GLN A 61 7.808 4.118 9.114 1.00 0.00 O ATOM 958 CB GLN A 61 7.300 5.520 12.050 1.00 0.00 C ATOM 959 CG GLN A 61 6.871 6.740 12.862 1.00 0.00 C ATOM 960 CD GLN A 61 6.407 6.287 14.246 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.622 5.370 14.366 1.00 0.00 O ATOM 962 NE2 GLN A 61 6.868 6.895 15.304 1.00 0.00 N ATOM 0 H GLN A 61 5.676 5.753 10.012 1.00 0.00 H new ATOM 0 HA GLN A 61 8.393 6.803 10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.484 4.800 11.996 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.135 5.019 12.540 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.702 7.440 12.955 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.066 7.267 12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.528 7.666 15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.568 6.599 16.233 1.00 0.00 H new ATOM 971 N ASP A 62 9.644 4.593 10.224 1.00 0.00 N ATOM 972 CA ASP A 62 10.411 3.502 9.562 1.00 0.00 C ATOM 973 C ASP A 62 9.868 2.123 9.956 1.00 0.00 C ATOM 974 O ASP A 62 9.354 1.932 11.040 1.00 0.00 O ATOM 975 CB ASP A 62 11.879 3.609 9.969 1.00 0.00 C ATOM 976 CG ASP A 62 12.697 2.571 9.202 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.720 2.644 7.985 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.290 1.721 9.845 1.00 0.00 O ATOM 0 H ASP A 62 10.175 5.139 10.903 1.00 0.00 H new ATOM 0 HA ASP A 62 10.308 3.610 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.254 4.611 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.983 3.449 11.042 1.00 0.00 H new ATOM 983 N SER A 63 9.993 1.164 9.068 1.00 0.00 N ATOM 984 CA SER A 63 9.506 -0.228 9.336 1.00 0.00 C ATOM 985 C SER A 63 8.197 -0.193 10.126 1.00 0.00 C ATOM 986 O SER A 63 8.001 -0.949 11.058 1.00 0.00 O ATOM 987 CB SER A 63 10.569 -1.003 10.121 1.00 0.00 C ATOM 988 OG SER A 63 11.043 -0.203 11.194 1.00 0.00 O ATOM 0 H SER A 63 10.421 1.291 8.151 1.00 0.00 H new ATOM 0 HA SER A 63 9.324 -0.727 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.147 -1.932 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.395 -1.275 9.464 1.00 0.00 H new ATOM 0 HG SER A 63 10.282 0.142 11.706 1.00 0.00 H new ATOM 994 N ASP A 64 7.302 0.685 9.768 1.00 0.00 N ATOM 995 CA ASP A 64 6.001 0.775 10.503 1.00 0.00 C ATOM 996 C ASP A 64 4.964 -0.137 9.846 1.00 0.00 C ATOM 997 O ASP A 64 4.640 0.016 8.683 1.00 0.00 O ATOM 998 CB ASP A 64 5.503 2.219 10.479 1.00 0.00 C ATOM 999 CG ASP A 64 4.358 2.376 11.483 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.761 1.369 11.831 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.102 3.497 11.888 1.00 0.00 O ATOM 0 H ASP A 64 7.412 1.346 8.999 1.00 0.00 H new ATOM 0 HA ASP A 64 6.150 0.457 11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.316 2.900 10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.162 2.482 9.477 1.00 0.00 H new ATOM 1006 N VAL A 65 4.447 -1.086 10.579 1.00 0.00 N ATOM 1007 CA VAL A 65 3.435 -2.013 9.999 1.00 0.00 C ATOM 1008 C VAL A 65 2.075 -1.309 9.992 1.00 0.00 C ATOM 1009 O VAL A 65 1.492 -1.066 11.031 1.00 0.00 O ATOM 1010 CB VAL A 65 3.362 -3.280 10.873 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.829 -4.458 10.048 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.760 -3.608 11.417 1.00 0.00 C ATOM 0 H VAL A 65 4.683 -1.259 11.556 1.00 0.00 H new ATOM 0 HA VAL A 65 3.709 -2.291 8.981 1.00 0.00 H new ATOM 0 HB VAL A 65 2.684 -3.103 11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.781 -5.349 10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.832 -4.221 9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.495 -4.643 9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.709 -4.504 12.035 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.443 -3.780 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.122 -2.773 12.017 1.00 0.00 H new ATOM 1022 N VAL A 66 1.569 -0.964 8.836 1.00 0.00 N ATOM 1023 CA VAL A 66 0.249 -0.259 8.780 1.00 0.00 C ATOM 1024 C VAL A 66 -0.541 -0.720 7.557 1.00 0.00 C ATOM 1025 O VAL A 66 -0.020 -1.370 6.664 1.00 0.00 O ATOM 1026 CB VAL A 66 0.478 1.252 8.693 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.151 1.751 9.975 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.374 1.562 7.493 1.00 0.00 C ATOM 0 H VAL A 66 2.008 -1.138 7.932 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.316 -0.495 9.682 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.482 1.755 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.311 2.827 9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.511 1.533 10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.110 1.249 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.538 2.638 7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.332 1.055 7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.892 1.214 6.579 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.803 -0.364 7.514 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.678 -0.737 6.361 1.00 0.00 C ATOM 1040 C ARG A 67 -3.161 0.543 5.690 1.00 0.00 C ATOM 1041 O ARG A 67 -3.755 1.394 6.322 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.884 -1.539 6.873 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.908 -1.740 5.744 1.00 0.00 C ATOM 1044 CD ARG A 67 -6.030 -2.662 6.227 1.00 0.00 C ATOM 1045 NE ARG A 67 -5.468 -4.009 6.526 1.00 0.00 N ATOM 1046 CZ ARG A 67 -6.209 -4.909 7.112 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.439 -4.628 7.444 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -5.718 -6.090 7.368 1.00 0.00 N ATOM 0 H ARG A 67 -2.269 0.178 8.242 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.123 -1.346 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.553 -2.507 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.350 -1.015 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.320 -0.779 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.420 -2.171 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.500 -2.246 7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.805 -2.740 5.465 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.504 -4.228 6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.822 -3.704 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.017 -5.332 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.756 -6.309 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.296 -6.794 7.826 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.923 0.682 4.412 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.379 1.906 3.688 1.00 0.00 C ATOM 1064 C ILE A 68 -4.614 1.550 2.867 1.00 0.00 C ATOM 1065 O ILE A 68 -4.600 0.623 2.082 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.265 2.384 2.754 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.990 2.601 3.569 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.674 3.710 2.103 1.00 0.00 C ATOM 1069 CD1 ILE A 68 0.180 2.893 2.628 1.00 0.00 C ATOM 0 H ILE A 68 -2.431 -0.001 3.837 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.618 2.698 4.398 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.092 1.636 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.127 3.431 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.775 1.716 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.880 4.049 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.590 3.567 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.843 4.458 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.087 3.047 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.323 2.050 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.035 3.790 2.048 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.683 2.284 3.047 1.00 0.00 N ATOM 1082 CA ASP A 69 -6.943 2.007 2.288 1.00 0.00 C ATOM 1083 C ASP A 69 -7.291 3.206 1.409 1.00 0.00 C ATOM 1084 O ASP A 69 -7.132 4.345 1.809 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.081 1.763 3.279 1.00 0.00 C ATOM 1086 CG ASP A 69 -7.880 0.408 3.960 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.067 -0.361 3.476 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.546 0.162 4.952 1.00 0.00 O ATOM 0 H ASP A 69 -5.738 3.071 3.693 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.801 1.128 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.105 2.557 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.040 1.783 2.761 1.00 0.00 H new ATOM 1093 N ASN A 70 -7.773 2.947 0.218 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.151 4.044 -0.721 1.00 0.00 C ATOM 1095 C ASN A 70 -6.905 4.828 -1.131 1.00 0.00 C ATOM 1096 O ASN A 70 -6.938 6.031 -1.294 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.165 4.979 -0.051 1.00 0.00 C ATOM 1098 CG ASN A 70 -9.852 5.837 -1.116 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.143 5.368 -2.195 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.121 7.088 -0.855 1.00 0.00 N ATOM 0 H ASN A 70 -7.922 2.006 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.606 3.611 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.907 4.396 0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.662 5.617 0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.576 7.669 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.876 7.484 0.053 1.00 0.00 H new ATOM 1107 N ALA A 71 -5.804 4.149 -1.314 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.556 4.845 -1.732 1.00 0.00 C ATOM 1109 C ALA A 71 -4.682 5.263 -3.198 1.00 0.00 C ATOM 1110 O ALA A 71 -5.172 4.512 -4.020 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.370 3.890 -1.569 1.00 0.00 C ATOM 0 H ALA A 71 -5.717 3.140 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.398 5.729 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.453 4.394 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.288 3.587 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.524 3.009 -2.192 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.249 6.453 -3.530 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.353 6.928 -4.941 1.00 0.00 C ATOM 1119 C ARG A 72 -3.128 6.471 -5.738 1.00 0.00 C ATOM 1120 O ARG A 72 -2.001 6.786 -5.409 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.439 8.457 -4.940 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.598 8.970 -6.374 1.00 0.00 C ATOM 1123 CD ARG A 72 -4.896 10.473 -6.354 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.936 10.983 -7.755 1.00 0.00 N ATOM 1125 CZ ARG A 72 -5.338 12.201 -8.002 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -5.716 12.978 -7.025 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -5.360 12.641 -9.231 1.00 0.00 N ATOM 0 H ARG A 72 -3.827 7.117 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.245 6.510 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.283 8.782 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.541 8.880 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.688 8.777 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.406 8.436 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.849 10.661 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.131 11.000 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.648 10.378 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.698 12.635 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.029 13.929 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.064 12.034 -9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.673 13.592 -9.427 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.348 5.725 -6.785 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.214 5.230 -7.616 1.00 0.00 C ATOM 1143 C VAL A 73 -1.806 6.307 -8.619 1.00 0.00 C ATOM 1144 O VAL A 73 -2.639 6.908 -9.266 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.659 3.977 -8.370 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.532 3.507 -9.290 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -2.993 2.875 -7.363 1.00 0.00 C ATOM 0 H VAL A 73 -4.273 5.435 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.365 4.994 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.541 4.204 -8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.850 2.614 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.293 4.295 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.648 3.277 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.311 1.979 -7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.110 2.648 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.797 3.212 -6.708 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.529 6.561 -8.752 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.058 7.608 -9.713 1.00 0.00 C ATOM 1159 C ALA A 74 1.154 7.085 -10.481 1.00 0.00 C ATOM 1160 O ALA A 74 1.865 6.217 -10.016 1.00 0.00 O ATOM 1161 CB ALA A 74 0.338 8.861 -8.930 1.00 0.00 C ATOM 0 H ALA A 74 0.212 6.087 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.855 7.849 -10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.682 9.629 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.525 9.232 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.139 8.616 -8.232 1.00 0.00 H new ATOM 1167 N GLN A 75 1.387 7.606 -11.660 1.00 0.00 N ATOM 1168 CA GLN A 75 2.550 7.150 -12.486 1.00 0.00 C ATOM 1169 C GLN A 75 3.529 8.311 -12.658 1.00 0.00 C ATOM 1170 O GLN A 75 3.234 9.284 -13.322 1.00 0.00 O ATOM 1171 CB GLN A 75 2.040 6.713 -13.858 1.00 0.00 C ATOM 1172 CG GLN A 75 3.202 6.161 -14.681 1.00 0.00 C ATOM 1173 CD GLN A 75 2.658 5.518 -15.956 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.707 6.105 -17.016 1.00 0.00 O ATOM 1175 NE2 GLN A 75 2.121 4.329 -15.892 1.00 0.00 N ATOM 0 H GLN A 75 0.817 8.334 -12.090 1.00 0.00 H new ATOM 0 HA GLN A 75 3.053 6.317 -11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.267 5.953 -13.745 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.584 7.558 -14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.897 6.962 -14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.758 5.427 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.080 3.835 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.743 3.894 -16.734 1.00 0.00 H new ATOM 1184 N PHE A 76 4.694 8.216 -12.060 1.00 0.00 N ATOM 1185 CA PHE A 76 5.711 9.311 -12.178 1.00 0.00 C ATOM 1186 C PHE A 76 6.957 8.791 -12.903 1.00 0.00 C ATOM 1187 O PHE A 76 7.548 7.805 -12.516 1.00 0.00 O ATOM 1188 CB PHE A 76 6.091 9.790 -10.774 1.00 0.00 C ATOM 1189 CG PHE A 76 4.952 10.603 -10.199 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.713 11.899 -10.672 1.00 0.00 C ATOM 1191 CD2 PHE A 76 4.135 10.061 -9.199 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.658 12.655 -10.143 1.00 0.00 C ATOM 1193 CE2 PHE A 76 3.080 10.816 -8.671 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.842 12.114 -9.143 1.00 0.00 C ATOM 0 H PHE A 76 4.986 7.421 -11.491 1.00 0.00 H new ATOM 0 HA PHE A 76 5.292 10.139 -12.750 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.305 8.936 -10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.998 10.392 -10.816 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.342 12.316 -11.445 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.318 9.061 -8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.475 13.655 -10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.450 10.398 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.029 12.697 -8.735 1.00 0.00 H new ATOM 1204 N ASN A 77 7.357 9.463 -13.949 1.00 0.00 N ATOM 1205 CA ASN A 77 8.566 9.043 -14.718 1.00 0.00 C ATOM 1206 C ASN A 77 8.423 7.587 -15.171 1.00 0.00 C ATOM 1207 O ASN A 77 9.392 6.863 -15.284 1.00 0.00 O ATOM 1208 CB ASN A 77 9.818 9.205 -13.849 1.00 0.00 C ATOM 1209 CG ASN A 77 10.110 10.698 -13.659 1.00 0.00 C ATOM 1210 OD1 ASN A 77 10.548 11.112 -12.606 1.00 0.00 O ATOM 1211 ND2 ASN A 77 9.889 11.529 -14.644 1.00 0.00 N ATOM 0 H ASN A 77 6.892 10.296 -14.309 1.00 0.00 H new ATOM 0 HA ASN A 77 8.663 9.676 -15.600 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.668 8.726 -12.882 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.669 8.713 -14.320 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.085 12.523 -14.526 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.521 11.183 -15.530 1.00 0.00 H new ATOM 1218 N GLY A 78 7.226 7.158 -15.462 1.00 0.00 N ATOM 1219 CA GLY A 78 7.027 5.759 -15.936 1.00 0.00 C ATOM 1220 C GLY A 78 7.050 4.799 -14.746 1.00 0.00 C ATOM 1221 O GLY A 78 6.967 3.600 -14.913 1.00 0.00 O ATOM 0 H GLY A 78 6.376 7.717 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.077 5.676 -16.463 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.810 5.491 -16.646 1.00 0.00 H new ATOM 1225 N TYR A 79 7.165 5.314 -13.546 1.00 0.00 N ATOM 1226 CA TYR A 79 7.204 4.434 -12.334 1.00 0.00 C ATOM 1227 C TYR A 79 5.926 4.618 -11.514 1.00 0.00 C ATOM 1228 O TYR A 79 5.480 5.721 -11.267 1.00 0.00 O ATOM 1229 CB TYR A 79 8.418 4.807 -11.489 1.00 0.00 C ATOM 1230 CG TYR A 79 9.670 4.436 -12.244 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.144 3.119 -12.205 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.358 5.406 -12.983 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.304 2.771 -12.907 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.517 5.058 -13.685 1.00 0.00 C ATOM 1235 CZ TYR A 79 11.992 3.741 -13.646 1.00 0.00 C ATOM 1236 OH TYR A 79 13.137 3.399 -14.336 1.00 0.00 O ATOM 0 H TYR A 79 7.234 6.313 -13.352 1.00 0.00 H new ATOM 0 HA TYR A 79 7.276 3.391 -12.642 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.412 5.875 -11.271 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.386 4.286 -10.532 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.614 2.371 -11.633 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.994 6.422 -13.011 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.668 1.755 -12.879 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.046 5.806 -14.258 1.00 0.00 H new ATOM 0 HH TYR A 79 13.489 4.189 -14.797 1.00 0.00 H new ATOM 1246 N LEU A 80 5.331 3.535 -11.101 1.00 0.00 N ATOM 1247 CA LEU A 80 4.075 3.616 -10.307 1.00 0.00 C ATOM 1248 C LEU A 80 4.379 4.012 -8.863 1.00 0.00 C ATOM 1249 O LEU A 80 5.413 3.684 -8.319 1.00 0.00 O ATOM 1250 CB LEU A 80 3.392 2.246 -10.328 1.00 0.00 C ATOM 1251 CG LEU A 80 3.111 1.827 -11.777 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.463 0.440 -11.787 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.170 2.844 -12.448 1.00 0.00 C ATOM 0 H LEU A 80 5.665 2.588 -11.282 1.00 0.00 H new ATOM 0 HA LEU A 80 3.421 4.372 -10.743 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.027 1.505 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.460 2.285 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 80 4.050 1.796 -12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.262 0.140 -12.815 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.138 -0.280 -11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.527 0.472 -11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.977 2.538 -13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.229 2.887 -11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.637 3.829 -12.445 1.00 0.00 H new ATOM 1265 N SER A 81 3.470 4.709 -8.237 1.00 0.00 N ATOM 1266 CA SER A 81 3.678 5.127 -6.822 1.00 0.00 C ATOM 1267 C SER A 81 2.314 5.295 -6.154 1.00 0.00 C ATOM 1268 O SER A 81 1.312 5.473 -6.818 1.00 0.00 O ATOM 1269 CB SER A 81 4.430 6.457 -6.793 1.00 0.00 C ATOM 1270 OG SER A 81 3.510 7.518 -7.017 1.00 0.00 O ATOM 0 H SER A 81 2.586 5.009 -8.649 1.00 0.00 H new ATOM 0 HA SER A 81 4.260 4.374 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.927 6.587 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.207 6.466 -7.557 1.00 0.00 H new ATOM 0 HG SER A 81 3.951 8.376 -6.841 1.00 0.00 H new ATOM 1276 N LEU A 82 2.262 5.237 -4.845 1.00 0.00 N ATOM 1277 CA LEU A 82 0.958 5.390 -4.124 1.00 0.00 C ATOM 1278 C LEU A 82 0.958 6.703 -3.353 1.00 0.00 C ATOM 1279 O LEU A 82 1.848 6.979 -2.574 1.00 0.00 O ATOM 1280 CB LEU A 82 0.783 4.223 -3.150 1.00 0.00 C ATOM 1281 CG LEU A 82 0.830 2.896 -3.918 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.680 1.735 -2.930 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.305 2.844 -4.958 1.00 0.00 C ATOM 0 H LEU A 82 3.071 5.089 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 82 0.138 5.393 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.569 4.246 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.167 4.316 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 82 1.785 2.815 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.713 0.790 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.494 1.766 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.273 1.822 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.262 1.898 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.267 2.930 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.191 3.668 -5.662 1.00 0.00 H new ATOM 1295 N SER A 83 -0.044 7.516 -3.569 1.00 0.00 N ATOM 1296 CA SER A 83 -0.135 8.829 -2.864 1.00 0.00 C ATOM 1297 C SER A 83 -1.246 8.758 -1.816 1.00 0.00 C ATOM 1298 O SER A 83 -2.380 8.443 -2.117 1.00 0.00 O ATOM 1299 CB SER A 83 -0.456 9.917 -3.886 1.00 0.00 C ATOM 1300 OG SER A 83 0.628 10.036 -4.799 1.00 0.00 O ATOM 0 H SER A 83 -0.812 7.323 -4.212 1.00 0.00 H new ATOM 0 HA SER A 83 0.810 9.059 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.373 9.670 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.628 10.868 -3.381 1.00 0.00 H new ATOM 0 HG SER A 83 0.426 10.732 -5.458 1.00 0.00 H new ATOM 1306 N VAL A 84 -0.923 9.029 -0.579 1.00 0.00 N ATOM 1307 CA VAL A 84 -1.950 8.966 0.503 1.00 0.00 C ATOM 1308 C VAL A 84 -2.456 10.376 0.808 1.00 0.00 C ATOM 1309 O VAL A 84 -1.734 11.213 1.314 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.308 8.366 1.752 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.388 8.079 2.792 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.602 7.060 1.375 1.00 0.00 C ATOM 0 H VAL A 84 0.013 9.293 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.790 8.348 0.187 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.585 9.068 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.930 7.651 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.896 9.007 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.111 7.374 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.141 6.626 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.329 6.359 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.167 7.264 0.630 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.695 10.646 0.489 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.271 12.002 0.740 1.00 0.00 C ATOM 1324 C GLY A 85 -5.099 11.997 2.027 1.00 0.00 C ATOM 1325 O GLY A 85 -5.132 11.031 2.761 1.00 0.00 O ATOM 0 H GLY A 85 -4.338 9.980 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.469 12.736 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.896 12.301 -0.102 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.775 13.081 2.293 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.623 13.175 3.516 1.00 0.00 C ATOM 1331 C ASP A 86 -7.796 12.197 3.402 1.00 0.00 C ATOM 1332 O ASP A 86 -8.241 11.625 4.377 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.161 14.601 3.629 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.760 14.820 5.017 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -7.058 14.591 5.988 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.913 15.215 5.084 1.00 0.00 O ATOM 0 H ASP A 86 -5.776 13.916 1.708 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.033 12.926 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.359 15.317 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.918 14.775 2.865 1.00 0.00 H new ATOM 1341 N SER A 87 -8.310 12.016 2.218 1.00 0.00 N ATOM 1342 CA SER A 87 -9.465 11.091 2.033 1.00 0.00 C ATOM 1343 C SER A 87 -9.023 9.653 2.314 1.00 0.00 C ATOM 1344 O SER A 87 -9.834 8.773 2.512 1.00 0.00 O ATOM 1345 CB SER A 87 -9.949 11.196 0.588 1.00 0.00 C ATOM 1346 OG SER A 87 -11.128 10.419 0.426 1.00 0.00 O ATOM 0 H SER A 87 -7.979 12.470 1.367 1.00 0.00 H new ATOM 0 HA SER A 87 -10.268 11.360 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.149 12.237 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.173 10.846 -0.093 1.00 0.00 H new ATOM 0 HG SER A 87 -11.440 10.487 -0.501 1.00 0.00 H new ATOM 1352 N SER A 88 -7.744 9.406 2.322 1.00 0.00 N ATOM 1353 CA SER A 88 -7.255 8.022 2.574 1.00 0.00 C ATOM 1354 C SER A 88 -7.391 7.678 4.055 1.00 0.00 C ATOM 1355 O SER A 88 -7.477 8.550 4.895 1.00 0.00 O ATOM 1356 CB SER A 88 -5.788 7.919 2.167 1.00 0.00 C ATOM 1357 OG SER A 88 -5.669 8.193 0.779 1.00 0.00 O ATOM 0 H SER A 88 -7.015 10.102 2.165 1.00 0.00 H new ATOM 0 HA SER A 88 -7.852 7.324 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.188 8.624 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.406 6.922 2.387 1.00 0.00 H new ATOM 0 HG SER A 88 -6.087 7.470 0.266 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.404 6.408 4.378 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.526 5.983 5.810 1.00 0.00 C ATOM 1365 C ARG A 89 -6.348 5.082 6.172 1.00 0.00 C ATOM 1366 O ARG A 89 -5.992 4.187 5.431 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.836 5.218 5.998 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.002 4.844 7.473 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.390 4.241 7.692 1.00 0.00 C ATOM 1370 NE ARG A 89 -10.528 3.817 9.116 1.00 0.00 N ATOM 1371 CZ ARG A 89 -10.944 4.663 10.024 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.243 5.891 9.694 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.060 4.278 11.266 1.00 0.00 N ATOM 0 H ARG A 89 -7.335 5.642 3.708 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.522 6.860 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.677 5.829 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.836 4.319 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.233 4.130 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.874 5.727 8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.159 4.972 7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.536 3.387 7.031 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.296 2.860 9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.153 6.195 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.567 6.546 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.827 3.320 11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.384 4.935 11.976 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.739 5.318 7.309 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.572 4.487 7.744 1.00 0.00 C ATOM 1389 C ILE A 90 -4.905 3.789 9.060 1.00 0.00 C ATOM 1390 O ILE A 90 -5.378 4.405 9.993 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.356 5.390 7.950 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.955 6.011 6.610 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.195 4.558 8.502 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.902 7.099 6.841 1.00 0.00 C ATOM 0 H ILE A 90 -6.003 6.057 7.960 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.353 3.742 6.979 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.601 6.183 8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.559 5.243 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.830 6.436 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.326 5.199 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.486 4.115 9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.946 3.767 7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.618 7.539 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.314 7.873 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.023 6.660 7.313 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.651 2.507 9.141 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.936 1.743 10.397 1.00 0.00 C ATOM 1408 C GLU A 91 -3.647 1.090 10.894 1.00 0.00 C ATOM 1409 O GLU A 91 -2.932 0.448 10.152 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.989 0.674 10.111 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.332 1.354 9.850 1.00 0.00 C ATOM 1412 CD GLU A 91 -8.382 0.298 9.504 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -8.042 -0.873 9.510 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.512 0.679 9.241 1.00 0.00 O ATOM 0 H GLU A 91 -4.254 1.951 8.384 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.313 2.419 11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.695 0.078 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.071 -0.009 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.643 1.917 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.237 2.068 9.032 1.00 0.00 H new ATOM 1421 N SER A 92 -3.341 1.269 12.149 1.00 0.00 N ATOM 1422 CA SER A 92 -2.096 0.680 12.713 1.00 0.00 C ATOM 1423 C SER A 92 -2.227 -0.838 12.814 1.00 0.00 C ATOM 1424 O SER A 92 -3.298 -1.360 13.055 1.00 0.00 O ATOM 1425 CB SER A 92 -1.869 1.261 14.108 1.00 0.00 C ATOM 1426 OG SER A 92 -2.646 0.530 15.048 1.00 0.00 O ATOM 0 H SER A 92 -3.904 1.802 12.812 1.00 0.00 H new ATOM 0 HA SER A 92 -1.255 0.917 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.812 1.207 14.371 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.149 2.314 14.127 1.00 0.00 H new ATOM 0 HG SER A 92 -2.504 0.897 15.946 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.138 -1.551 12.639 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.177 -3.046 12.730 1.00 0.00 C ATOM 1434 C VAL A 93 -0.119 -3.530 13.729 1.00 0.00 C ATOM 1435 O VAL A 93 1.025 -3.122 13.691 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.907 -3.644 11.345 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.677 -5.153 11.464 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.116 -3.384 10.442 1.00 0.00 C ATOM 0 H VAL A 93 -0.219 -1.158 12.436 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.160 -3.368 13.075 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.018 -3.180 10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.486 -5.571 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.181 -5.340 12.109 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.562 -5.623 11.892 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.930 -3.807 9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.001 -3.850 10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.278 -2.310 10.352 1.00 0.00 H new