USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.973 K(o=-0.97,f=-0.46) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.0217 X(o=-2.6,f=-3) USER MOD Set 2.2: A 37 MET CE :methyl -137:sc= -2.58! (180deg=-4.54!) USER MOD Single : A 7 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.056) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -5.34! C(o=-5.3!,f=-12!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 62:sc= 1.16 USER MOD Single : A 45 MET CE :methyl -154:sc= 0 (180deg=-0.249) USER MOD Single : A 46 ASN : amide:sc= -0.0375 X(o=-0.037,f=-0.43) USER MOD Single : A 48 TYR OH : rot 54:sc= -0.815 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 52 TYR OH : rot 105:sc= 0.288 USER MOD Single : A 54 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.0033) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.25 K(o=-2.2,f=-8.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.32) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -153:sc= -3.18! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 94:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -6.763 19.803 -5.348 1.00 0.00 N ATOM 64 CA ALA A 6 -5.552 19.723 -4.539 1.00 0.00 C ATOM 65 C ALA A 6 -5.479 18.385 -3.813 1.00 0.00 C ATOM 66 O ALA A 6 -4.417 17.762 -3.722 1.00 0.00 O ATOM 67 CB ALA A 6 -5.503 20.873 -3.543 1.00 0.00 C ATOM 0 HA ALA A 6 -4.690 19.801 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.594 20.799 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.508 21.821 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.372 20.823 -2.887 1.00 0.00 H new ATOM 73 N ASN A 7 -6.623 17.938 -3.313 1.00 0.00 N ATOM 74 CA ASN A 7 -6.700 16.666 -2.611 1.00 0.00 C ATOM 75 C ASN A 7 -6.455 15.520 -3.581 1.00 0.00 C ATOM 76 O ASN A 7 -5.776 14.549 -3.253 1.00 0.00 O ATOM 77 CB ASN A 7 -8.066 16.513 -1.938 1.00 0.00 C ATOM 78 CG ASN A 7 -7.982 16.633 -0.429 1.00 0.00 C ATOM 79 OD1 ASN A 7 -8.579 15.843 0.302 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.241 17.628 0.043 1.00 0.00 N ATOM 0 H ASN A 7 -7.510 18.438 -3.381 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.930 16.642 -1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.745 17.273 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -8.491 15.544 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.149 17.762 1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.764 18.259 -0.601 1.00 0.00 H new ATOM 87 N LYS A 8 -7.011 15.646 -4.783 1.00 0.00 N ATOM 88 CA LYS A 8 -6.852 14.626 -5.809 1.00 0.00 C ATOM 89 C LYS A 8 -5.397 14.522 -6.247 1.00 0.00 C ATOM 90 O LYS A 8 -4.921 13.441 -6.591 1.00 0.00 O ATOM 91 CB LYS A 8 -7.740 14.944 -7.014 1.00 0.00 C ATOM 92 CG LYS A 8 -9.085 14.237 -6.981 1.00 0.00 C ATOM 93 CD LYS A 8 -9.987 14.808 -5.899 1.00 0.00 C ATOM 94 CE LYS A 8 -10.708 16.057 -6.377 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.092 15.759 -6.837 1.00 0.00 N ATOM 0 H LYS A 8 -7.576 16.446 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.155 13.668 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.906 16.020 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.214 14.664 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.572 14.334 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.933 13.172 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.718 14.057 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.393 15.045 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.744 16.787 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.145 16.511 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.549 16.638 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.057 15.082 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.638 15.349 -6.052 1.00 0.00 H new ATOM 109 N ASP A 9 -4.691 15.650 -6.234 1.00 0.00 N ATOM 110 CA ASP A 9 -3.289 15.664 -6.632 1.00 0.00 C ATOM 111 C ASP A 9 -2.433 14.955 -5.588 1.00 0.00 C ATOM 112 O ASP A 9 -1.579 14.138 -5.929 1.00 0.00 O ATOM 113 CB ASP A 9 -2.801 17.104 -6.871 1.00 0.00 C ATOM 114 CG ASP A 9 -2.213 17.765 -5.634 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.189 17.266 -5.121 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.772 18.786 -5.186 1.00 0.00 O ATOM 0 H ASP A 9 -5.064 16.557 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.191 15.123 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.049 17.097 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.635 17.706 -7.231 1.00 0.00 H new ATOM 121 N LEU A 10 -2.672 15.261 -4.315 1.00 0.00 N ATOM 122 CA LEU A 10 -1.919 14.631 -3.235 1.00 0.00 C ATOM 123 C LEU A 10 -2.140 13.123 -3.265 1.00 0.00 C ATOM 124 O LEU A 10 -1.188 12.336 -3.218 1.00 0.00 O ATOM 125 CB LEU A 10 -2.362 15.202 -1.884 1.00 0.00 C ATOM 126 CG LEU A 10 -1.313 15.183 -0.768 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.190 13.792 -0.174 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.038 15.665 -1.275 1.00 0.00 C ATOM 0 H LEU A 10 -3.374 15.935 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.857 14.838 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.683 16.233 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.234 14.643 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.644 15.867 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.440 13.799 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.151 13.487 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.890 13.089 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.762 15.640 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.377 15.015 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.056 16.685 -1.646 1.00 0.00 H new ATOM 140 N ILE A 11 -3.404 12.725 -3.378 1.00 0.00 N ATOM 141 CA ILE A 11 -3.748 11.316 -3.448 1.00 0.00 C ATOM 142 C ILE A 11 -3.104 10.694 -4.679 1.00 0.00 C ATOM 143 O ILE A 11 -2.394 9.696 -4.581 1.00 0.00 O ATOM 144 CB ILE A 11 -5.276 11.104 -3.493 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.920 11.639 -2.212 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.612 9.630 -3.684 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.453 10.930 -0.959 1.00 0.00 C ATOM 0 H ILE A 11 -4.202 13.359 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.371 10.832 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.676 11.655 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.700 12.703 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.003 11.543 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.694 9.504 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.181 9.277 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.202 9.053 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.950 11.361 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.697 9.870 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.374 11.048 -0.855 1.00 0.00 H new ATOM 159 N SER A 12 -3.351 11.297 -5.841 1.00 0.00 N ATOM 160 CA SER A 12 -2.786 10.809 -7.092 1.00 0.00 C ATOM 161 C SER A 12 -1.270 10.679 -6.992 1.00 0.00 C ATOM 162 O SER A 12 -0.674 9.801 -7.609 1.00 0.00 O ATOM 163 CB SER A 12 -3.156 11.746 -8.244 1.00 0.00 C ATOM 164 OG SER A 12 -2.851 11.159 -9.497 1.00 0.00 O ATOM 0 H SER A 12 -3.939 12.124 -5.939 1.00 0.00 H new ATOM 0 HA SER A 12 -3.204 9.822 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.219 11.981 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.616 12.687 -8.139 1.00 0.00 H new ATOM 0 HG SER A 12 -3.098 11.777 -10.216 1.00 0.00 H new ATOM 170 N ALA A 13 -0.650 11.566 -6.218 1.00 0.00 N ATOM 171 CA ALA A 13 0.799 11.538 -6.050 1.00 0.00 C ATOM 172 C ALA A 13 1.231 10.317 -5.250 1.00 0.00 C ATOM 173 O ALA A 13 2.214 9.658 -5.593 1.00 0.00 O ATOM 174 CB ALA A 13 1.288 12.819 -5.391 1.00 0.00 C ATOM 0 H ALA A 13 -1.124 12.307 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 13 1.254 11.469 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.371 12.778 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.022 13.673 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.822 12.925 -4.411 1.00 0.00 H new ATOM 180 N GLY A 14 0.455 9.976 -4.230 1.00 0.00 N ATOM 181 CA GLY A 14 0.760 8.784 -3.458 1.00 0.00 C ATOM 182 C GLY A 14 0.494 7.564 -4.313 1.00 0.00 C ATOM 183 O GLY A 14 1.294 6.635 -4.388 1.00 0.00 O ATOM 0 H GLY A 14 -0.369 10.494 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.802 8.799 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.149 8.753 -2.556 1.00 0.00 H new ATOM 187 N LEU A 15 -0.661 7.610 -4.960 1.00 0.00 N ATOM 188 CA LEU A 15 -1.102 6.541 -5.841 1.00 0.00 C ATOM 189 C LEU A 15 -0.036 6.258 -6.896 1.00 0.00 C ATOM 190 O LEU A 15 0.438 5.129 -7.022 1.00 0.00 O ATOM 191 CB LEU A 15 -2.431 6.905 -6.507 1.00 0.00 C ATOM 192 CG LEU A 15 -3.663 6.227 -5.905 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.889 7.113 -6.055 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.898 4.874 -6.558 1.00 0.00 C ATOM 0 H LEU A 15 -1.317 8.388 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.255 5.640 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.565 7.985 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.373 6.647 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.483 6.070 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.755 6.613 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.720 8.059 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.073 7.304 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.778 4.406 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.056 5.009 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.029 4.236 -6.397 1.00 0.00 H new ATOM 206 N LYS A 16 0.338 7.285 -7.648 1.00 0.00 N ATOM 207 CA LYS A 16 1.351 7.140 -8.689 1.00 0.00 C ATOM 208 C LYS A 16 2.689 6.701 -8.096 1.00 0.00 C ATOM 209 O LYS A 16 3.468 6.002 -8.745 1.00 0.00 O ATOM 210 CB LYS A 16 1.524 8.458 -9.446 1.00 0.00 C ATOM 211 CG LYS A 16 2.113 8.288 -10.838 1.00 0.00 C ATOM 212 CD LYS A 16 3.622 8.476 -10.830 1.00 0.00 C ATOM 213 CE LYS A 16 4.001 9.945 -10.937 1.00 0.00 C ATOM 214 NZ LYS A 16 4.001 10.417 -12.348 1.00 0.00 N ATOM 0 H LYS A 16 -0.043 8.227 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 16 1.014 6.370 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.555 8.950 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.169 9.119 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.871 7.296 -11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.659 9.009 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.037 8.058 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.063 7.924 -11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.301 10.544 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.989 10.097 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.264 11.423 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.687 9.863 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.052 10.296 -12.755 1.00 0.00 H new ATOM 228 N GLU A 17 2.945 7.111 -6.855 1.00 0.00 N ATOM 229 CA GLU A 17 4.188 6.750 -6.180 1.00 0.00 C ATOM 230 C GLU A 17 4.188 5.275 -5.789 1.00 0.00 C ATOM 231 O GLU A 17 5.189 4.575 -5.959 1.00 0.00 O ATOM 232 CB GLU A 17 4.407 7.621 -4.940 1.00 0.00 C ATOM 233 CG GLU A 17 5.870 7.923 -4.659 1.00 0.00 C ATOM 234 CD GLU A 17 6.520 6.883 -3.767 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.446 5.682 -4.104 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.103 7.269 -2.732 1.00 0.00 O ATOM 0 H GLU A 17 2.313 7.689 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 17 5.007 6.924 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.869 8.560 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.975 7.120 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.413 7.978 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.951 8.902 -4.187 1.00 0.00 H new ATOM 243 N PHE A 18 3.055 4.804 -5.280 1.00 0.00 N ATOM 244 CA PHE A 18 2.924 3.408 -4.879 1.00 0.00 C ATOM 245 C PHE A 18 2.830 2.509 -6.106 1.00 0.00 C ATOM 246 O PHE A 18 3.380 1.410 -6.127 1.00 0.00 O ATOM 247 CB PHE A 18 1.694 3.221 -3.984 1.00 0.00 C ATOM 248 CG PHE A 18 1.683 1.929 -3.207 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.867 1.290 -2.857 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.481 1.354 -2.822 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.846 0.106 -2.141 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.457 0.173 -2.106 1.00 0.00 C ATOM 253 CZ PHE A 18 1.641 -0.451 -1.766 1.00 0.00 C ATOM 0 H PHE A 18 2.216 5.366 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 18 3.811 3.127 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.639 4.054 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.798 3.267 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.813 1.722 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.449 1.836 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.772 -0.382 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.487 -0.262 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.624 -1.375 -1.207 1.00 0.00 H new ATOM 263 N SER A 19 2.133 2.990 -7.131 1.00 0.00 N ATOM 264 CA SER A 19 1.972 2.232 -8.366 1.00 0.00 C ATOM 265 C SER A 19 3.328 1.964 -9.007 1.00 0.00 C ATOM 266 O SER A 19 3.657 0.823 -9.330 1.00 0.00 O ATOM 267 CB SER A 19 1.072 2.990 -9.345 1.00 0.00 C ATOM 268 OG SER A 19 0.389 2.096 -10.206 1.00 0.00 O ATOM 0 H SER A 19 1.672 3.900 -7.130 1.00 0.00 H new ATOM 0 HA SER A 19 1.503 1.278 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.350 3.589 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.673 3.681 -9.936 1.00 0.00 H new ATOM 0 HG SER A 19 -0.180 2.604 -10.820 1.00 0.00 H new ATOM 274 N VAL A 20 4.116 3.022 -9.182 1.00 0.00 N ATOM 275 CA VAL A 20 5.439 2.893 -9.778 1.00 0.00 C ATOM 276 C VAL A 20 6.348 2.040 -8.899 1.00 0.00 C ATOM 277 O VAL A 20 7.098 1.200 -9.396 1.00 0.00 O ATOM 278 CB VAL A 20 6.095 4.271 -9.998 1.00 0.00 C ATOM 279 CG1 VAL A 20 7.415 4.125 -10.740 1.00 0.00 C ATOM 280 CG2 VAL A 20 5.151 5.195 -10.754 1.00 0.00 C ATOM 0 H VAL A 20 3.861 3.974 -8.920 1.00 0.00 H new ATOM 0 HA VAL A 20 5.309 2.408 -10.745 1.00 0.00 H new ATOM 0 HB VAL A 20 6.301 4.714 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.862 5.109 -10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.093 3.501 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.238 3.660 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.630 6.163 -10.901 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.912 4.757 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.234 5.327 -10.180 1.00 0.00 H new ATOM 290 N LEU A 21 6.271 2.259 -7.590 1.00 0.00 N ATOM 291 CA LEU A 21 7.084 1.508 -6.641 1.00 0.00 C ATOM 292 C LEU A 21 6.722 0.024 -6.664 1.00 0.00 C ATOM 293 O LEU A 21 7.598 -0.840 -6.616 1.00 0.00 O ATOM 294 CB LEU A 21 6.897 2.068 -5.229 1.00 0.00 C ATOM 295 CG LEU A 21 7.755 1.407 -4.148 1.00 0.00 C ATOM 296 CD1 LEU A 21 9.214 1.800 -4.312 1.00 0.00 C ATOM 297 CD2 LEU A 21 7.250 1.785 -2.763 1.00 0.00 C ATOM 0 H LEU A 21 5.654 2.950 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 21 8.129 1.611 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.120 3.135 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.848 1.966 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 21 7.677 0.325 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.809 1.321 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.569 1.479 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.311 2.882 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.871 1.306 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.298 2.867 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.218 1.453 -2.649 1.00 0.00 H new ATOM 309 N LEU A 22 5.425 -0.264 -6.731 1.00 0.00 N ATOM 310 CA LEU A 22 4.942 -1.643 -6.751 1.00 0.00 C ATOM 311 C LEU A 22 5.207 -2.310 -8.100 1.00 0.00 C ATOM 312 O LEU A 22 5.528 -3.495 -8.164 1.00 0.00 O ATOM 313 CB LEU A 22 3.443 -1.680 -6.446 1.00 0.00 C ATOM 314 CG LEU A 22 3.051 -1.183 -5.055 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.586 -0.770 -5.031 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.325 -2.258 -4.013 1.00 0.00 C ATOM 0 H LEU A 22 4.688 0.440 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 22 5.486 -2.195 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.922 -1.078 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.090 -2.705 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 22 3.656 -0.309 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.323 -0.419 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.422 0.030 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.962 -1.626 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.041 -1.890 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.744 -3.150 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.387 -2.505 -4.016 1.00 0.00 H new ATOM 328 N ASN A 23 5.058 -1.542 -9.175 1.00 0.00 N ATOM 329 CA ASN A 23 5.268 -2.060 -10.524 1.00 0.00 C ATOM 330 C ASN A 23 6.700 -2.557 -10.725 1.00 0.00 C ATOM 331 O ASN A 23 6.982 -3.283 -11.679 1.00 0.00 O ATOM 332 CB ASN A 23 4.942 -0.981 -11.562 1.00 0.00 C ATOM 333 CG ASN A 23 3.713 -1.322 -12.382 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.617 -1.480 -11.844 1.00 0.00 O ATOM 335 ND2 ASN A 23 3.891 -1.440 -13.693 1.00 0.00 N ATOM 0 H ASN A 23 4.792 -0.558 -9.139 1.00 0.00 H new ATOM 0 HA ASN A 23 4.597 -2.909 -10.657 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.785 -0.029 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.795 -0.851 -12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.101 -1.670 -14.296 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.817 -1.300 -14.097 1.00 0.00 H new ATOM 342 N GLN A 24 7.604 -2.159 -9.834 1.00 0.00 N ATOM 343 CA GLN A 24 9.002 -2.566 -9.935 1.00 0.00 C ATOM 344 C GLN A 24 9.246 -3.935 -9.296 1.00 0.00 C ATOM 345 O GLN A 24 10.393 -4.342 -9.112 1.00 0.00 O ATOM 346 CB GLN A 24 9.903 -1.513 -9.280 1.00 0.00 C ATOM 347 CG GLN A 24 10.785 -0.768 -10.269 1.00 0.00 C ATOM 348 CD GLN A 24 12.193 -0.554 -9.748 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.980 -1.496 -9.651 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.518 0.688 -9.410 1.00 0.00 N ATOM 0 H GLN A 24 7.395 -1.558 -9.037 1.00 0.00 H new ATOM 0 HA GLN A 24 9.246 -2.649 -10.994 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.280 -0.794 -8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.535 -1.999 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.828 -1.327 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.335 0.198 -10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.834 1.438 -9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.452 0.892 -9.054 1.00 0.00 H new ATOM 359 N GLN A 25 8.170 -4.644 -8.955 1.00 0.00 N ATOM 360 CA GLN A 25 8.293 -5.962 -8.335 1.00 0.00 C ATOM 361 C GLN A 25 7.965 -7.076 -9.327 1.00 0.00 C ATOM 362 O GLN A 25 6.962 -7.013 -10.039 1.00 0.00 O ATOM 363 CB GLN A 25 7.374 -6.062 -7.116 1.00 0.00 C ATOM 364 CG GLN A 25 7.470 -4.865 -6.184 1.00 0.00 C ATOM 365 CD GLN A 25 8.846 -4.715 -5.565 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.514 -3.697 -5.748 1.00 0.00 O ATOM 367 NE2 GLN A 25 9.278 -5.731 -4.827 1.00 0.00 N ATOM 0 H GLN A 25 7.210 -4.330 -9.097 1.00 0.00 H new ATOM 0 HA GLN A 25 9.328 -6.085 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.343 -6.166 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.619 -6.966 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.224 -3.958 -6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.729 -4.966 -5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.691 -6.556 -4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.196 -5.686 -4.386 1.00 0.00 H new ATOM 376 N VAL A 26 8.819 -8.097 -9.362 1.00 0.00 N ATOM 377 CA VAL A 26 8.630 -9.236 -10.257 1.00 0.00 C ATOM 378 C VAL A 26 8.981 -10.543 -9.548 1.00 0.00 C ATOM 379 O VAL A 26 10.149 -10.811 -9.265 1.00 0.00 O ATOM 380 CB VAL A 26 9.493 -9.096 -11.528 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.968 -9.034 -11.169 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.219 -10.240 -12.492 1.00 0.00 C ATOM 0 H VAL A 26 9.653 -8.158 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 26 7.579 -9.253 -10.546 1.00 0.00 H new ATOM 0 HB VAL A 26 9.224 -8.163 -12.024 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.560 -8.935 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.149 -8.175 -10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.254 -9.947 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.838 -10.122 -13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.455 -11.188 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.167 -10.231 -12.778 1.00 0.00 H new ATOM 392 N PHE A 27 7.962 -11.343 -9.246 1.00 0.00 N ATOM 393 CA PHE A 27 8.165 -12.611 -8.548 1.00 0.00 C ATOM 394 C PHE A 27 8.424 -13.763 -9.518 1.00 0.00 C ATOM 395 O PHE A 27 7.672 -13.975 -10.471 1.00 0.00 O ATOM 396 CB PHE A 27 6.953 -12.942 -7.673 1.00 0.00 C ATOM 397 CG PHE A 27 6.300 -11.737 -7.055 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.061 -10.762 -6.431 1.00 0.00 C ATOM 399 CD2 PHE A 27 4.924 -11.582 -7.100 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.460 -9.654 -5.862 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.318 -10.478 -6.532 1.00 0.00 C ATOM 402 CZ PHE A 27 5.087 -9.513 -5.912 1.00 0.00 C ATOM 0 H PHE A 27 6.989 -11.137 -9.473 1.00 0.00 H new ATOM 0 HA PHE A 27 9.048 -12.492 -7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.216 -13.473 -8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.265 -13.621 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.135 -10.868 -6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.318 -12.333 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.064 -8.900 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.244 -10.370 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.615 -8.649 -5.467 1.00 0.00 H new ATOM 412 N ASN A 28 9.490 -14.510 -9.248 1.00 0.00 N ATOM 413 CA ASN A 28 9.869 -15.660 -10.066 1.00 0.00 C ATOM 414 C ASN A 28 11.026 -16.408 -9.404 1.00 0.00 C ATOM 415 O ASN A 28 10.833 -17.464 -8.802 1.00 0.00 O ATOM 416 CB ASN A 28 10.249 -15.228 -11.489 1.00 0.00 C ATOM 417 CG ASN A 28 10.903 -13.857 -11.548 1.00 0.00 C ATOM 418 OD1 ASN A 28 10.292 -12.848 -11.196 1.00 0.00 O ATOM 419 ND2 ASN A 28 12.152 -13.815 -11.998 1.00 0.00 N ATOM 0 H ASN A 28 10.114 -14.337 -8.460 1.00 0.00 H new ATOM 0 HA ASN A 28 9.010 -16.327 -10.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.929 -15.966 -11.916 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.354 -15.223 -12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.641 -12.922 -12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.622 -14.675 -12.279 1.00 0.00 H new ATOM 426 N ASP A 29 12.227 -15.855 -9.524 1.00 0.00 N ATOM 427 CA ASP A 29 13.408 -16.475 -8.938 1.00 0.00 C ATOM 428 C ASP A 29 13.480 -16.155 -7.445 1.00 0.00 C ATOM 429 O ASP A 29 13.345 -14.999 -7.045 1.00 0.00 O ATOM 430 CB ASP A 29 14.677 -15.987 -9.641 1.00 0.00 C ATOM 431 CG ASP A 29 15.104 -16.909 -10.768 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.594 -16.741 -11.897 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.945 -17.797 -10.522 1.00 0.00 O ATOM 0 H ASP A 29 12.408 -14.982 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 29 13.334 -17.555 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.507 -14.986 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.485 -15.908 -8.914 1.00 0.00 H new ATOM 438 N PRO A 30 13.674 -17.184 -6.595 1.00 0.00 N ATOM 439 CA PRO A 30 13.743 -17.016 -5.144 1.00 0.00 C ATOM 440 C PRO A 30 14.567 -15.805 -4.724 1.00 0.00 C ATOM 441 O PRO A 30 15.792 -15.797 -4.850 1.00 0.00 O ATOM 442 CB PRO A 30 14.397 -18.317 -4.648 1.00 0.00 C ATOM 443 CG PRO A 30 14.708 -19.123 -5.872 1.00 0.00 C ATOM 444 CD PRO A 30 13.834 -18.592 -6.971 1.00 0.00 C ATOM 0 HA PRO A 30 12.755 -16.838 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.303 -18.105 -4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.726 -18.861 -3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.761 -19.033 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.512 -20.181 -5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.301 -18.700 -7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.877 -19.112 -7.016 1.00 0.00 H new ATOM 452 N LEU A 31 13.880 -14.787 -4.220 1.00 0.00 N ATOM 453 CA LEU A 31 14.529 -13.565 -3.770 1.00 0.00 C ATOM 454 C LEU A 31 14.317 -13.378 -2.265 1.00 0.00 C ATOM 455 O LEU A 31 14.212 -14.358 -1.527 1.00 0.00 O ATOM 456 CB LEU A 31 13.985 -12.367 -4.554 1.00 0.00 C ATOM 457 CG LEU A 31 12.520 -12.019 -4.283 1.00 0.00 C ATOM 458 CD1 LEU A 31 12.301 -10.518 -4.393 1.00 0.00 C ATOM 459 CD2 LEU A 31 11.609 -12.763 -5.249 1.00 0.00 C ATOM 0 H LEU A 31 12.866 -14.786 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 31 15.601 -13.638 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.597 -11.495 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.103 -12.567 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 31 12.273 -12.330 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.254 -10.288 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.928 -10.004 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.564 -10.184 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.571 -12.504 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.856 -12.481 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.747 -13.837 -5.125 1.00 0.00 H new ATOM 471 N VAL A 32 14.291 -12.129 -1.803 1.00 0.00 N ATOM 472 CA VAL A 32 14.134 -11.840 -0.381 1.00 0.00 C ATOM 473 C VAL A 32 12.836 -12.424 0.180 1.00 0.00 C ATOM 474 O VAL A 32 11.893 -12.714 -0.556 1.00 0.00 O ATOM 475 CB VAL A 32 14.170 -10.313 -0.130 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.339 -9.572 -1.165 1.00 0.00 C ATOM 477 CG2 VAL A 32 13.705 -9.964 1.271 1.00 0.00 C ATOM 0 H VAL A 32 14.377 -11.302 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 32 14.968 -12.313 0.137 1.00 0.00 H new ATOM 0 HB VAL A 32 15.208 -9.994 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.381 -8.501 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.735 -9.772 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.304 -9.911 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.744 -8.883 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.681 -10.311 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.355 -10.447 2.001 1.00 0.00 H new ATOM 487 N SER A 33 12.819 -12.599 1.500 1.00 0.00 N ATOM 488 CA SER A 33 11.669 -13.158 2.200 1.00 0.00 C ATOM 489 C SER A 33 10.512 -12.171 2.266 1.00 0.00 C ATOM 490 O SER A 33 10.684 -10.971 2.055 1.00 0.00 O ATOM 491 CB SER A 33 12.069 -13.582 3.615 1.00 0.00 C ATOM 492 OG SER A 33 11.098 -14.442 4.183 1.00 0.00 O ATOM 0 H SER A 33 13.600 -12.358 2.110 1.00 0.00 H new ATOM 0 HA SER A 33 11.334 -14.029 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.035 -14.087 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.189 -12.699 4.242 1.00 0.00 H new ATOM 0 HG SER A 33 11.378 -14.700 5.086 1.00 0.00 H new ATOM 498 N GLU A 34 9.328 -12.697 2.565 1.00 0.00 N ATOM 499 CA GLU A 34 8.128 -11.880 2.670 1.00 0.00 C ATOM 500 C GLU A 34 8.212 -10.934 3.857 1.00 0.00 C ATOM 501 O GLU A 34 7.508 -9.928 3.904 1.00 0.00 O ATOM 502 CB GLU A 34 6.891 -12.771 2.800 1.00 0.00 C ATOM 503 CG GLU A 34 7.028 -13.848 3.864 1.00 0.00 C ATOM 504 CD GLU A 34 5.826 -13.914 4.787 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.723 -13.057 5.691 1.00 0.00 O ATOM 506 OE2 GLU A 34 4.987 -14.821 4.607 1.00 0.00 O ATOM 0 H GLU A 34 9.176 -13.690 2.739 1.00 0.00 H new ATOM 0 HA GLU A 34 8.046 -11.283 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.028 -12.148 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.692 -13.245 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.164 -14.816 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.924 -13.658 4.454 1.00 0.00 H new ATOM 513 N GLU A 35 9.075 -11.250 4.817 1.00 0.00 N ATOM 514 CA GLU A 35 9.235 -10.409 5.992 1.00 0.00 C ATOM 515 C GLU A 35 9.848 -9.068 5.609 1.00 0.00 C ATOM 516 O GLU A 35 9.531 -8.042 6.210 1.00 0.00 O ATOM 517 CB GLU A 35 10.107 -11.109 7.036 1.00 0.00 C ATOM 518 CG GLU A 35 9.578 -12.472 7.453 1.00 0.00 C ATOM 519 CD GLU A 35 9.041 -12.482 8.871 1.00 0.00 C ATOM 520 OE1 GLU A 35 9.773 -12.048 9.786 1.00 0.00 O ATOM 521 OE2 GLU A 35 7.889 -12.924 9.067 1.00 0.00 O ATOM 0 H GLU A 35 9.670 -12.078 4.803 1.00 0.00 H new ATOM 0 HA GLU A 35 8.250 -10.231 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.115 -11.226 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.185 -10.473 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.787 -12.776 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.376 -13.209 7.366 1.00 0.00 H new ATOM 528 N ASP A 36 10.721 -9.071 4.600 1.00 0.00 N ATOM 529 CA ASP A 36 11.346 -7.833 4.158 1.00 0.00 C ATOM 530 C ASP A 36 10.358 -7.005 3.348 1.00 0.00 C ATOM 531 O ASP A 36 10.172 -5.817 3.605 1.00 0.00 O ATOM 532 CB ASP A 36 12.595 -8.125 3.336 1.00 0.00 C ATOM 533 CG ASP A 36 13.789 -7.306 3.789 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.327 -7.594 4.878 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.185 -6.376 3.054 1.00 0.00 O ATOM 0 H ASP A 36 11.005 -9.904 4.084 1.00 0.00 H new ATOM 0 HA ASP A 36 11.642 -7.262 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.836 -9.185 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.392 -7.917 2.285 1.00 0.00 H new ATOM 540 N MET A 37 9.705 -7.648 2.386 1.00 0.00 N ATOM 541 CA MET A 37 8.716 -6.960 1.565 1.00 0.00 C ATOM 542 C MET A 37 7.597 -6.451 2.459 1.00 0.00 C ATOM 543 O MET A 37 7.209 -5.287 2.390 1.00 0.00 O ATOM 544 CB MET A 37 8.130 -7.890 0.493 1.00 0.00 C ATOM 545 CG MET A 37 9.115 -8.351 -0.575 1.00 0.00 C ATOM 546 SD MET A 37 10.322 -7.092 -1.044 1.00 0.00 S ATOM 547 CE MET A 37 9.252 -5.684 -1.319 1.00 0.00 C ATOM 0 H MET A 37 9.840 -8.633 2.157 1.00 0.00 H new ATOM 0 HA MET A 37 9.207 -6.129 1.058 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.715 -8.769 0.985 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.302 -7.378 0.004 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.645 -9.232 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.559 -8.656 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.563 -5.162 -2.224 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.223 -6.026 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.318 -5.006 -0.468 1.00 0.00 H new ATOM 557 N VAL A 38 7.072 -7.348 3.286 1.00 0.00 N ATOM 558 CA VAL A 38 5.982 -7.015 4.189 1.00 0.00 C ATOM 559 C VAL A 38 6.343 -5.817 5.063 1.00 0.00 C ATOM 560 O VAL A 38 5.557 -4.877 5.181 1.00 0.00 O ATOM 561 CB VAL A 38 5.626 -8.227 5.083 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.820 -7.809 6.305 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.872 -9.275 4.276 1.00 0.00 C ATOM 0 H VAL A 38 7.387 -8.316 3.348 1.00 0.00 H new ATOM 0 HA VAL A 38 5.115 -6.754 3.582 1.00 0.00 H new ATOM 0 HB VAL A 38 6.559 -8.661 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.590 -8.688 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.400 -7.104 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.892 -7.336 5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.628 -10.122 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.953 -8.840 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.495 -9.614 3.448 1.00 0.00 H new ATOM 573 N THR A 39 7.521 -5.840 5.681 1.00 0.00 N ATOM 574 CA THR A 39 7.941 -4.737 6.539 1.00 0.00 C ATOM 575 C THR A 39 8.120 -3.451 5.736 1.00 0.00 C ATOM 576 O THR A 39 7.820 -2.361 6.222 1.00 0.00 O ATOM 577 CB THR A 39 9.247 -5.091 7.255 1.00 0.00 C ATOM 578 OG1 THR A 39 9.096 -6.278 8.013 1.00 0.00 O ATOM 579 CG2 THR A 39 9.731 -4.005 8.194 1.00 0.00 C ATOM 0 H THR A 39 8.195 -6.602 5.605 1.00 0.00 H new ATOM 0 HA THR A 39 7.159 -4.571 7.280 1.00 0.00 H new ATOM 0 HB THR A 39 9.985 -5.218 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.887 -7.025 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.660 -4.321 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.905 -3.088 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.977 -3.823 8.960 1.00 0.00 H new ATOM 587 N VAL A 40 8.599 -3.583 4.503 1.00 0.00 N ATOM 588 CA VAL A 40 8.796 -2.423 3.642 1.00 0.00 C ATOM 589 C VAL A 40 7.449 -1.860 3.207 1.00 0.00 C ATOM 590 O VAL A 40 7.267 -0.646 3.114 1.00 0.00 O ATOM 591 CB VAL A 40 9.633 -2.776 2.395 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.830 -1.553 1.512 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.977 -3.364 2.803 1.00 0.00 C ATOM 0 H VAL A 40 8.856 -4.475 4.080 1.00 0.00 H new ATOM 0 HA VAL A 40 9.341 -1.675 4.217 1.00 0.00 H new ATOM 0 HB VAL A 40 9.089 -3.525 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.423 -1.826 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.859 -1.178 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.349 -0.778 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.554 -3.607 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.525 -2.637 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.815 -4.269 3.388 1.00 0.00 H new ATOM 603 N VAL A 41 6.505 -2.759 2.959 1.00 0.00 N ATOM 604 CA VAL A 41 5.164 -2.373 2.552 1.00 0.00 C ATOM 605 C VAL A 41 4.433 -1.704 3.710 1.00 0.00 C ATOM 606 O VAL A 41 3.850 -0.631 3.554 1.00 0.00 O ATOM 607 CB VAL A 41 4.355 -3.595 2.073 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.965 -3.182 1.616 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.094 -4.321 0.957 1.00 0.00 C ATOM 0 H VAL A 41 6.647 -3.766 3.034 1.00 0.00 H new ATOM 0 HA VAL A 41 5.257 -1.670 1.724 1.00 0.00 H new ATOM 0 HB VAL A 41 4.244 -4.279 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.415 -4.062 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.434 -2.714 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.048 -2.473 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.508 -5.181 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.241 -3.643 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.063 -4.660 1.323 1.00 0.00 H new ATOM 619 N GLU A 42 4.479 -2.345 4.875 1.00 0.00 N ATOM 620 CA GLU A 42 3.830 -1.812 6.067 1.00 0.00 C ATOM 621 C GLU A 42 4.367 -0.422 6.393 1.00 0.00 C ATOM 622 O GLU A 42 3.602 0.527 6.558 1.00 0.00 O ATOM 623 CB GLU A 42 4.050 -2.748 7.255 1.00 0.00 C ATOM 624 CG GLU A 42 2.952 -3.786 7.424 1.00 0.00 C ATOM 625 CD GLU A 42 3.480 -5.114 7.932 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.519 -5.114 8.626 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.854 -6.153 7.637 1.00 0.00 O ATOM 0 H GLU A 42 4.959 -3.234 5.018 1.00 0.00 H new ATOM 0 HA GLU A 42 2.761 -1.736 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.005 -3.259 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.120 -2.154 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.202 -3.407 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.452 -3.940 6.468 1.00 0.00 H new ATOM 634 N ASP A 43 5.688 -0.311 6.486 1.00 0.00 N ATOM 635 CA ASP A 43 6.328 0.963 6.794 1.00 0.00 C ATOM 636 C ASP A 43 5.927 2.035 5.785 1.00 0.00 C ATOM 637 O ASP A 43 5.650 3.176 6.157 1.00 0.00 O ATOM 638 CB ASP A 43 7.851 0.801 6.806 1.00 0.00 C ATOM 639 CG ASP A 43 8.425 0.825 8.208 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.561 1.929 8.775 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.739 -0.262 8.740 1.00 0.00 O ATOM 0 H ASP A 43 6.336 -1.087 6.353 1.00 0.00 H new ATOM 0 HA ASP A 43 5.993 1.279 7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.117 -0.140 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.303 1.600 6.218 1.00 0.00 H new ATOM 646 N TRP A 44 5.922 1.670 4.506 1.00 0.00 N ATOM 647 CA TRP A 44 5.581 2.626 3.459 1.00 0.00 C ATOM 648 C TRP A 44 4.166 3.164 3.655 1.00 0.00 C ATOM 649 O TRP A 44 3.943 4.378 3.621 1.00 0.00 O ATOM 650 CB TRP A 44 5.693 1.964 2.083 1.00 0.00 C ATOM 651 CG TRP A 44 7.095 1.904 1.560 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.150 2.684 1.943 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.595 1.019 0.553 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.274 2.336 1.234 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.959 1.316 0.374 1.00 0.00 C ATOM 656 CE3 TRP A 44 7.021 0.002 -0.217 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.757 0.632 -0.540 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.814 -0.675 -1.124 1.00 0.00 C ATOM 659 CH2 TRP A 44 9.169 -0.358 -1.279 1.00 0.00 C ATOM 0 H TRP A 44 6.147 0.732 4.173 1.00 0.00 H new ATOM 0 HA TRP A 44 6.282 3.458 3.518 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.292 0.952 2.142 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.072 2.512 1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.106 3.460 2.693 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.193 2.767 1.332 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.977 -0.250 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.802 0.874 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.381 -1.462 -1.724 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.762 -0.906 -1.996 1.00 0.00 H new ATOM 670 N MET A 45 3.213 2.265 3.861 1.00 0.00 N ATOM 671 CA MET A 45 1.825 2.661 4.056 1.00 0.00 C ATOM 672 C MET A 45 1.654 3.465 5.341 1.00 0.00 C ATOM 673 O MET A 45 0.814 4.362 5.410 1.00 0.00 O ATOM 674 CB MET A 45 0.918 1.429 4.083 1.00 0.00 C ATOM 675 CG MET A 45 1.245 0.456 5.203 1.00 0.00 C ATOM 676 SD MET A 45 -0.090 -0.715 5.515 1.00 0.00 S ATOM 677 CE MET A 45 0.260 -1.959 4.275 1.00 0.00 C ATOM 0 H MET A 45 3.375 1.259 3.897 1.00 0.00 H new ATOM 0 HA MET A 45 1.539 3.296 3.218 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.118 1.753 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.996 0.910 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.152 -0.092 4.950 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.454 1.015 6.115 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.660 -2.481 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.672 -1.481 3.386 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.982 -2.673 4.670 1.00 0.00 H new ATOM 687 N ASN A 46 2.444 3.139 6.362 1.00 0.00 N ATOM 688 CA ASN A 46 2.357 3.836 7.640 1.00 0.00 C ATOM 689 C ASN A 46 2.865 5.272 7.529 1.00 0.00 C ATOM 690 O ASN A 46 2.294 6.185 8.128 1.00 0.00 O ATOM 691 CB ASN A 46 3.145 3.080 8.714 1.00 0.00 C ATOM 692 CG ASN A 46 2.243 2.292 9.644 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.191 1.800 9.238 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.655 2.167 10.901 1.00 0.00 N ATOM 0 H ASN A 46 3.147 2.401 6.328 1.00 0.00 H new ATOM 0 HA ASN A 46 1.306 3.872 7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.850 2.401 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.733 3.789 9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.092 1.646 11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.535 2.592 11.194 1.00 0.00 H new ATOM 701 N PHE A 47 3.925 5.489 6.756 1.00 0.00 N ATOM 702 CA PHE A 47 4.438 6.839 6.596 1.00 0.00 C ATOM 703 C PHE A 47 3.453 7.642 5.770 1.00 0.00 C ATOM 704 O PHE A 47 3.231 8.818 6.028 1.00 0.00 O ATOM 705 CB PHE A 47 5.847 6.854 5.973 1.00 0.00 C ATOM 706 CG PHE A 47 5.892 6.959 4.467 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.458 8.104 3.806 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.386 5.909 3.715 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.516 8.188 2.428 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.445 5.988 2.337 1.00 0.00 C ATOM 711 CZ PHE A 47 6.009 7.128 1.694 1.00 0.00 C ATOM 0 H PHE A 47 4.432 4.767 6.244 1.00 0.00 H new ATOM 0 HA PHE A 47 4.542 7.296 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.403 7.692 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.367 5.944 6.272 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.072 8.936 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.731 5.014 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.176 9.082 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.832 5.158 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.053 7.191 0.617 1.00 0.00 H new ATOM 721 N TYR A 48 2.842 6.984 4.789 1.00 0.00 N ATOM 722 CA TYR A 48 1.854 7.635 3.945 1.00 0.00 C ATOM 723 C TYR A 48 0.667 8.086 4.788 1.00 0.00 C ATOM 724 O TYR A 48 0.247 9.237 4.716 1.00 0.00 O ATOM 725 CB TYR A 48 1.384 6.686 2.839 1.00 0.00 C ATOM 726 CG TYR A 48 2.312 6.623 1.645 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.716 7.781 0.991 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.779 5.404 1.170 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.559 7.724 -0.104 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.623 5.340 0.078 1.00 0.00 C ATOM 731 CZ TYR A 48 4.009 6.501 -0.555 1.00 0.00 C ATOM 732 OH TYR A 48 4.849 6.440 -1.644 1.00 0.00 O ATOM 0 H TYR A 48 3.015 6.005 4.562 1.00 0.00 H new ATOM 0 HA TYR A 48 2.313 8.507 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.276 5.684 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.396 6.999 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.366 8.740 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.477 4.491 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.863 8.632 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.978 4.384 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 48 5.627 7.015 -1.489 1.00 0.00 H new ATOM 742 N ILE A 49 0.116 7.163 5.572 1.00 0.00 N ATOM 743 CA ILE A 49 -1.038 7.465 6.413 1.00 0.00 C ATOM 744 C ILE A 49 -0.762 8.640 7.354 1.00 0.00 C ATOM 745 O ILE A 49 -1.579 9.553 7.470 1.00 0.00 O ATOM 746 CB ILE A 49 -1.476 6.235 7.248 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.763 6.544 8.009 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.385 5.813 8.213 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.435 5.318 8.588 1.00 0.00 C ATOM 0 H ILE A 49 0.449 6.202 5.642 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.846 7.738 5.735 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.659 5.408 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.539 7.241 8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.460 7.047 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.720 4.948 8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.514 5.552 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.164 6.635 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.342 5.615 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.691 4.629 7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.756 4.826 9.284 1.00 0.00 H new ATOM 761 N ASN A 50 0.385 8.611 8.028 1.00 0.00 N ATOM 762 CA ASN A 50 0.745 9.677 8.963 1.00 0.00 C ATOM 763 C ASN A 50 1.160 10.954 8.234 1.00 0.00 C ATOM 764 O ASN A 50 0.926 12.062 8.717 1.00 0.00 O ATOM 765 CB ASN A 50 1.878 9.211 9.880 1.00 0.00 C ATOM 766 CG ASN A 50 1.961 10.026 11.155 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.035 10.028 11.965 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.075 10.726 11.339 1.00 0.00 N ATOM 0 H ASN A 50 1.078 7.867 7.946 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.139 9.905 9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.729 8.161 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.826 9.279 9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.187 11.294 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.818 10.695 10.641 1.00 0.00 H new ATOM 775 N TYR A 51 1.791 10.789 7.079 1.00 0.00 N ATOM 776 CA TYR A 51 2.261 11.918 6.281 1.00 0.00 C ATOM 777 C TYR A 51 1.095 12.644 5.617 1.00 0.00 C ATOM 778 O TYR A 51 1.080 13.870 5.539 1.00 0.00 O ATOM 779 CB TYR A 51 3.258 11.395 5.242 1.00 0.00 C ATOM 780 CG TYR A 51 3.564 12.325 4.092 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.733 13.691 4.277 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.708 11.814 2.810 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.034 14.516 3.217 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.004 12.634 1.745 1.00 0.00 C ATOM 785 CZ TYR A 51 4.169 13.985 1.951 1.00 0.00 C ATOM 786 OH TYR A 51 4.469 14.809 0.890 1.00 0.00 O ATOM 0 H TYR A 51 1.991 9.877 6.670 1.00 0.00 H new ATOM 0 HA TYR A 51 2.756 12.644 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.192 11.159 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.872 10.461 4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.627 14.112 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.586 10.754 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.164 15.576 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.106 12.220 0.753 1.00 0.00 H new ATOM 0 HH TYR A 51 4.530 14.277 0.069 1.00 0.00 H new ATOM 796 N TYR A 52 0.118 11.880 5.155 1.00 0.00 N ATOM 797 CA TYR A 52 -1.060 12.448 4.513 1.00 0.00 C ATOM 798 C TYR A 52 -1.982 13.072 5.553 1.00 0.00 C ATOM 799 O TYR A 52 -2.580 14.124 5.321 1.00 0.00 O ATOM 800 CB TYR A 52 -1.805 11.366 3.731 1.00 0.00 C ATOM 801 CG TYR A 52 -1.030 10.859 2.537 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.329 11.738 1.725 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.997 9.507 2.223 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.385 11.289 0.634 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.285 9.046 1.131 1.00 0.00 C ATOM 806 CZ TYR A 52 0.404 9.943 0.339 1.00 0.00 C ATOM 807 OH TYR A 52 1.118 9.493 -0.751 1.00 0.00 O ATOM 0 H TYR A 52 0.116 10.862 5.212 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.739 13.226 3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.024 10.531 4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.762 11.764 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.343 12.794 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.536 8.804 2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.926 11.988 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.268 7.991 0.899 1.00 0.00 H new ATOM 0 HH TYR A 52 1.946 9.067 -0.446 1.00 0.00 H new ATOM 817 N ARG A 53 -2.089 12.412 6.701 1.00 0.00 N ATOM 818 CA ARG A 53 -2.931 12.889 7.793 1.00 0.00 C ATOM 819 C ARG A 53 -2.644 14.353 8.114 1.00 0.00 C ATOM 820 O ARG A 53 -3.510 15.070 8.612 1.00 0.00 O ATOM 821 CB ARG A 53 -2.697 12.033 9.043 1.00 0.00 C ATOM 822 CG ARG A 53 -3.952 11.356 9.569 1.00 0.00 C ATOM 823 CD ARG A 53 -3.926 9.858 9.313 1.00 0.00 C ATOM 824 NE ARG A 53 -2.945 9.176 10.155 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.180 8.792 11.407 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.359 9.026 11.972 1.00 0.00 N ATOM 827 NH2 ARG A 53 -2.233 8.173 12.098 1.00 0.00 N ATOM 0 H ARG A 53 -1.600 11.539 6.900 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.971 12.805 7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.953 11.270 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.278 12.662 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.046 11.542 10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.829 11.793 9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.916 9.441 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.694 9.673 8.264 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.025 8.983 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.091 9.503 11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.532 8.729 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.325 7.992 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.412 7.878 13.058 1.00 0.00 H new ATOM 841 N GLN A 54 -1.412 14.780 7.859 1.00 0.00 N ATOM 842 CA GLN A 54 -1.002 16.147 8.156 1.00 0.00 C ATOM 843 C GLN A 54 -0.868 17.016 6.903 1.00 0.00 C ATOM 844 O GLN A 54 -0.406 18.154 6.993 1.00 0.00 O ATOM 845 CB GLN A 54 0.334 16.121 8.900 1.00 0.00 C ATOM 846 CG GLN A 54 0.198 15.834 10.387 1.00 0.00 C ATOM 847 CD GLN A 54 1.529 15.528 11.046 1.00 0.00 C ATOM 848 OE1 GLN A 54 1.905 16.159 12.034 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.252 14.557 10.499 1.00 0.00 N ATOM 0 H GLN A 54 -0.681 14.200 7.448 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.783 16.592 8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.976 15.364 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.832 17.081 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.258 16.693 10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.477 14.990 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.902 14.060 9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.157 14.309 10.898 1.00 0.00 H new ATOM 858 N GLN A 55 -1.243 16.493 5.738 1.00 0.00 N ATOM 859 CA GLN A 55 -1.117 17.262 4.500 1.00 0.00 C ATOM 860 C GLN A 55 -2.466 17.518 3.822 1.00 0.00 C ATOM 861 O GLN A 55 -2.635 18.534 3.151 1.00 0.00 O ATOM 862 CB GLN A 55 -0.191 16.533 3.530 1.00 0.00 C ATOM 863 CG GLN A 55 1.180 16.240 4.112 1.00 0.00 C ATOM 864 CD GLN A 55 2.123 17.418 4.000 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.060 18.360 4.790 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.004 17.371 3.012 1.00 0.00 N ATOM 0 H GLN A 55 -1.630 15.556 5.624 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.699 18.232 4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.658 15.595 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.074 17.135 2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.074 15.963 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.613 15.382 3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.020 16.570 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.666 18.136 2.882 1.00 0.00 H new ATOM 927 N PRO A 60 -11.224 18.943 8.664 1.00 0.00 N ATOM 928 CA PRO A 60 -10.972 17.575 9.131 1.00 0.00 C ATOM 929 C PRO A 60 -11.718 16.519 8.317 1.00 0.00 C ATOM 930 O PRO A 60 -11.354 15.343 8.338 1.00 0.00 O ATOM 931 CB PRO A 60 -11.482 17.590 10.575 1.00 0.00 C ATOM 932 CG PRO A 60 -12.496 18.676 10.608 1.00 0.00 C ATOM 933 CD PRO A 60 -12.012 19.719 9.641 1.00 0.00 C ATOM 0 HA PRO A 60 -9.919 17.309 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.921 16.631 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.672 17.783 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.479 18.302 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.594 19.089 11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.842 20.240 9.164 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.404 20.475 10.137 1.00 0.00 H new ATOM 941 N GLN A 61 -12.768 16.933 7.608 1.00 0.00 N ATOM 942 CA GLN A 61 -13.560 16.007 6.802 1.00 0.00 C ATOM 943 C GLN A 61 -12.776 15.530 5.587 1.00 0.00 C ATOM 944 O GLN A 61 -12.770 14.342 5.264 1.00 0.00 O ATOM 945 CB GLN A 61 -14.863 16.678 6.356 1.00 0.00 C ATOM 946 CG GLN A 61 -16.115 15.939 6.802 1.00 0.00 C ATOM 947 CD GLN A 61 -17.376 16.514 6.188 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.358 17.021 5.066 1.00 0.00 O ATOM 949 NE2 GLN A 61 -18.481 16.438 6.921 1.00 0.00 N ATOM 0 H GLN A 61 -13.088 17.901 7.576 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.796 15.139 7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.892 17.694 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.867 16.758 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.029 14.887 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.191 15.982 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.451 16.009 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.360 16.808 6.559 1.00 0.00 H new ATOM 958 N GLU A 62 -12.104 16.463 4.924 1.00 0.00 N ATOM 959 CA GLU A 62 -11.302 16.142 3.754 1.00 0.00 C ATOM 960 C GLU A 62 -10.216 15.151 4.142 1.00 0.00 C ATOM 961 O GLU A 62 -9.886 14.241 3.382 1.00 0.00 O ATOM 962 CB GLU A 62 -10.680 17.411 3.165 1.00 0.00 C ATOM 963 CG GLU A 62 -11.150 17.719 1.751 1.00 0.00 C ATOM 964 CD GLU A 62 -11.859 19.056 1.650 1.00 0.00 C ATOM 965 OE1 GLU A 62 -11.344 20.045 2.213 1.00 0.00 O ATOM 966 OE2 GLU A 62 -12.930 19.112 1.011 1.00 0.00 O ATOM 0 H GLU A 62 -12.100 17.451 5.179 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.943 15.694 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.919 18.256 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.595 17.307 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.292 17.715 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.822 16.929 1.415 1.00 0.00 H new ATOM 973 N ARG A 63 -9.683 15.327 5.346 1.00 0.00 N ATOM 974 CA ARG A 63 -8.655 14.437 5.855 1.00 0.00 C ATOM 975 C ARG A 63 -9.236 13.049 6.044 1.00 0.00 C ATOM 976 O ARG A 63 -8.669 12.060 5.594 1.00 0.00 O ATOM 977 CB ARG A 63 -8.110 14.957 7.187 1.00 0.00 C ATOM 978 CG ARG A 63 -7.288 16.227 7.056 1.00 0.00 C ATOM 979 CD ARG A 63 -7.512 17.165 8.230 1.00 0.00 C ATOM 980 NE ARG A 63 -6.311 17.932 8.551 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.374 17.526 9.407 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.486 16.354 10.022 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.318 18.291 9.644 1.00 0.00 N ATOM 0 H ARG A 63 -9.947 16.077 5.984 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.836 14.395 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.944 15.143 7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.495 14.182 7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.230 15.971 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.550 16.736 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.328 17.849 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.818 16.588 9.103 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.182 18.834 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.293 15.758 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.765 16.050 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.223 19.190 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.600 17.981 10.299 1.00 0.00 H new ATOM 997 N ASP A 64 -10.365 12.987 6.740 1.00 0.00 N ATOM 998 CA ASP A 64 -11.011 11.715 7.011 1.00 0.00 C ATOM 999 C ASP A 64 -11.297 10.942 5.728 1.00 0.00 C ATOM 1000 O ASP A 64 -11.094 9.727 5.685 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.308 11.935 7.795 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.252 11.334 9.186 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.293 10.091 9.296 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.168 12.106 10.164 1.00 0.00 O ATOM 0 H ASP A 64 -10.848 13.800 7.124 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.325 11.118 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.506 13.004 7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.140 11.495 7.246 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.768 11.619 4.677 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.065 10.935 3.421 1.00 0.00 C ATOM 1011 C LYS A 65 -10.785 10.493 2.725 1.00 0.00 C ATOM 1012 O LYS A 65 -10.735 9.428 2.112 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.873 11.861 2.505 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.144 11.286 1.121 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.241 12.387 0.075 1.00 0.00 C ATOM 1016 CE LYS A 65 -12.372 12.086 -1.136 1.00 0.00 C ATOM 1017 NZ LYS A 65 -12.176 13.288 -1.992 1.00 0.00 N ATOM 0 H LYS A 65 -11.949 12.623 4.672 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.653 10.045 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.825 12.088 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.338 12.804 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.347 10.593 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.072 10.714 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.278 12.500 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.936 13.336 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.402 11.715 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.832 11.292 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.578 13.041 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.099 13.627 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.714 14.037 -1.438 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.751 11.315 2.822 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.475 10.997 2.203 1.00 0.00 C ATOM 1033 C ALA A 66 -7.810 9.837 2.930 1.00 0.00 C ATOM 1034 O ALA A 66 -7.212 8.960 2.308 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.567 12.219 2.200 1.00 0.00 C ATOM 0 H ALA A 66 -9.771 12.204 3.322 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.653 10.700 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.616 11.964 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.042 13.024 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.392 12.545 3.225 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.911 9.849 4.255 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.315 8.813 5.083 1.00 0.00 C ATOM 1043 C LEU A 67 -7.997 7.466 4.876 1.00 0.00 C ATOM 1044 O LEU A 67 -7.334 6.430 4.848 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.393 9.219 6.555 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.334 10.226 7.019 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.757 11.008 5.846 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.924 11.176 8.047 1.00 0.00 C ATOM 0 H LEU A 67 -8.404 10.572 4.779 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.271 8.705 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.379 9.642 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.308 8.321 7.167 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.520 9.666 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.010 11.713 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.292 10.318 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.556 11.554 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.161 11.885 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.760 11.718 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.275 10.608 8.908 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.317 7.478 4.717 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.051 6.239 4.499 1.00 0.00 C ATOM 1062 C GLN A 68 -9.849 5.749 3.072 1.00 0.00 C ATOM 1063 O GLN A 68 -9.608 4.564 2.841 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.542 6.419 4.801 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.204 7.530 4.003 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.917 7.015 2.768 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.469 6.064 2.128 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.037 7.643 2.426 1.00 0.00 N ATOM 0 H GLN A 68 -9.893 8.320 4.735 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.660 5.488 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.059 5.481 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.665 6.626 5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.918 8.053 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.449 8.258 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.373 8.427 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.561 7.341 1.605 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.949 6.665 2.113 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.774 6.316 0.711 1.00 0.00 C ATOM 1079 C GLU A 69 -8.368 5.787 0.464 1.00 0.00 C ATOM 1080 O GLU A 69 -8.184 4.798 -0.244 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.044 7.528 -0.184 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.524 7.160 -1.579 1.00 0.00 C ATOM 1083 CD GLU A 69 -9.435 7.296 -2.625 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -8.881 8.407 -2.764 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -9.136 6.291 -3.304 1.00 0.00 O ATOM 0 H GLU A 69 -10.150 7.651 2.282 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.491 5.533 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.792 8.162 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.131 8.118 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.892 6.134 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.365 7.798 -1.850 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.378 6.437 1.066 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.998 6.001 0.914 1.00 0.00 C ATOM 1094 C LEU A 70 -5.824 4.640 1.566 1.00 0.00 C ATOM 1095 O LEU A 70 -5.278 3.713 0.965 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.036 7.014 1.538 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.494 8.070 0.572 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.939 9.260 1.339 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.426 7.469 -0.328 1.00 0.00 C ATOM 0 H LEU A 70 -7.504 7.259 1.657 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.767 5.927 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.546 7.520 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.194 6.474 1.972 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.315 8.419 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.558 10.001 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.730 9.705 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.130 8.928 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.051 8.234 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.605 7.093 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.855 6.649 -0.904 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.296 4.526 2.802 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.203 3.276 3.543 1.00 0.00 C ATOM 1113 C ARG A 71 -6.843 2.145 2.749 1.00 0.00 C ATOM 1114 O ARG A 71 -6.304 1.040 2.678 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.884 3.413 4.907 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.865 2.135 5.731 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.653 2.291 7.021 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.450 1.105 7.323 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.615 0.827 6.742 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.123 1.646 5.830 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.274 -0.275 7.074 1.00 0.00 N ATOM 0 H ARG A 71 -6.747 5.286 3.312 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.150 3.043 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.392 4.206 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.918 3.723 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.283 1.317 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.835 1.866 5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.966 2.485 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.309 3.158 6.942 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.093 0.451 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.620 2.495 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.016 1.427 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.888 -0.909 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.167 -0.489 6.629 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.987 2.435 2.139 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.686 1.446 1.332 1.00 0.00 C ATOM 1137 C GLN A 72 -7.848 1.083 0.113 1.00 0.00 C ATOM 1138 O GLN A 72 -7.781 -0.079 -0.289 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.051 1.979 0.892 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.862 0.980 0.085 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.916 0.276 0.918 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.703 -0.840 1.393 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.059 0.926 1.098 1.00 0.00 N ATOM 0 H GLN A 72 -8.447 3.344 2.189 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.843 0.552 1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.621 2.268 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.905 2.881 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.345 1.496 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.191 0.238 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.191 1.849 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.805 0.502 1.649 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.198 2.092 -0.461 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.349 1.890 -1.627 1.00 0.00 C ATOM 1154 C GLU A 73 -5.208 0.937 -1.295 1.00 0.00 C ATOM 1155 O GLU A 73 -4.951 -0.013 -2.029 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.790 3.228 -2.118 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.763 4.012 -2.985 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.101 3.295 -4.277 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -6.212 3.192 -5.149 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.254 2.835 -4.417 1.00 0.00 O ATOM 0 H GLU A 73 -7.244 3.058 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.953 1.450 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.514 3.835 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.877 3.045 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.680 4.193 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.334 4.987 -3.216 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.528 1.196 -0.181 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.419 0.352 0.246 1.00 0.00 C ATOM 1169 C LEU A 74 -3.920 -1.034 0.643 1.00 0.00 C ATOM 1170 O LEU A 74 -3.325 -2.043 0.281 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.682 0.999 1.419 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.203 2.430 1.169 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.326 3.264 2.435 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.767 2.429 0.667 1.00 0.00 C ATOM 0 H LEU A 74 -4.726 1.981 0.439 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.728 0.245 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.341 0.998 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.820 0.382 1.672 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.836 2.877 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.980 4.279 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.368 3.291 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.718 2.821 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.441 3.455 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.121 1.964 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.708 1.867 -0.265 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.005 -1.079 1.408 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.562 -2.351 1.862 1.00 0.00 C ATOM 1188 C ASN A 75 -5.805 -3.293 0.684 1.00 0.00 C ATOM 1189 O ASN A 75 -5.501 -4.483 0.754 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.870 -2.117 2.623 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.849 -2.726 4.011 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.015 -2.374 4.844 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.770 -3.649 4.266 1.00 0.00 N ATOM 0 H ASN A 75 -5.515 -0.255 1.726 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.839 -2.817 2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.054 -1.046 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.698 -2.542 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.804 -4.096 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.443 -3.911 3.545 1.00 0.00 H new ATOM 1200 N THR A 76 -6.334 -2.744 -0.401 1.00 0.00 N ATOM 1201 CA THR A 76 -6.586 -3.547 -1.594 1.00 0.00 C ATOM 1202 C THR A 76 -5.308 -3.710 -2.414 1.00 0.00 C ATOM 1203 O THR A 76 -4.940 -4.816 -2.792 1.00 0.00 O ATOM 1204 CB THR A 76 -7.697 -2.927 -2.447 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.965 -3.732 -3.582 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.379 -1.533 -2.942 1.00 0.00 C ATOM 0 H THR A 76 -6.594 -1.761 -0.482 1.00 0.00 H new ATOM 0 HA THR A 76 -6.917 -4.534 -1.272 1.00 0.00 H new ATOM 0 HB THR A 76 -8.561 -2.867 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.678 -3.321 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.212 -1.160 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.218 -0.872 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.478 -1.561 -3.555 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.657 -2.593 -2.704 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.432 -2.583 -3.505 1.00 0.00 C ATOM 1216 C LEU A 77 -2.359 -3.526 -2.953 1.00 0.00 C ATOM 1217 O LEU A 77 -1.737 -4.279 -3.702 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.879 -1.158 -3.577 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.587 -0.239 -4.575 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.987 1.158 -4.531 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.508 -0.814 -5.983 1.00 0.00 C ATOM 0 H LEU A 77 -4.958 -1.669 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.693 -2.940 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.942 -0.710 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.822 -1.207 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.638 -0.170 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.502 1.798 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.099 1.571 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.928 1.108 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.017 -0.146 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.463 -0.915 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.987 -1.793 -6.004 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.130 -3.461 -1.647 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.115 -4.284 -0.993 1.00 0.00 C ATOM 1235 C ALA A 78 -1.546 -5.742 -0.828 1.00 0.00 C ATOM 1236 O ALA A 78 -0.704 -6.638 -0.769 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.759 -3.690 0.361 1.00 0.00 C ATOM 0 H ALA A 78 -2.637 -2.842 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.240 -4.284 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.002 -4.309 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.370 -2.681 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.650 -3.654 0.988 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.847 -5.974 -0.695 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.356 -7.327 -0.466 1.00 0.00 C ATOM 1245 C ASN A 79 -2.802 -8.339 -1.475 1.00 0.00 C ATOM 1246 O ASN A 79 -2.332 -9.405 -1.081 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.885 -7.331 -0.520 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.472 -8.681 -0.159 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.544 -9.582 -0.994 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.897 -8.827 1.091 1.00 0.00 N ATOM 0 H ASN A 79 -3.566 -5.252 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.018 -7.632 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.272 -6.575 0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.211 -7.052 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.303 -9.713 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.818 -8.053 1.750 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.846 -8.041 -2.783 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.340 -8.962 -3.804 1.00 0.00 C ATOM 1259 C PRO A 80 -0.819 -9.112 -3.774 1.00 0.00 C ATOM 1260 O PRO A 80 -0.288 -10.142 -4.187 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.783 -8.316 -5.120 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.926 -6.870 -4.799 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.392 -6.809 -3.373 1.00 0.00 C ATOM 0 HA PRO A 80 -2.722 -9.972 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.047 -8.476 -5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.724 -8.739 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.978 -6.347 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.644 -6.391 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.017 -5.920 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.480 -6.779 -3.307 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.117 -8.094 -3.275 1.00 0.00 N ATOM 1272 CA PHE A 81 1.342 -8.142 -3.201 1.00 0.00 C ATOM 1273 C PHE A 81 1.797 -9.064 -2.077 1.00 0.00 C ATOM 1274 O PHE A 81 2.580 -9.986 -2.298 1.00 0.00 O ATOM 1275 CB PHE A 81 1.887 -6.726 -2.968 1.00 0.00 C ATOM 1276 CG PHE A 81 3.387 -6.574 -3.092 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.222 -7.670 -3.276 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.958 -5.313 -3.022 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.590 -7.505 -3.385 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.325 -5.146 -3.131 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.142 -6.243 -3.313 1.00 0.00 C ATOM 0 H PHE A 81 -0.532 -7.233 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 81 1.728 -8.534 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.411 -6.051 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.588 -6.400 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.797 -8.661 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.326 -4.449 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.227 -8.365 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.754 -4.157 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.211 -6.114 -3.399 1.00 0.00 H new ATOM 1291 N LEU A 82 1.300 -8.818 -0.872 1.00 0.00 N ATOM 1292 CA LEU A 82 1.666 -9.634 0.274 1.00 0.00 C ATOM 1293 C LEU A 82 1.210 -11.073 0.081 1.00 0.00 C ATOM 1294 O LEU A 82 1.994 -12.006 0.240 1.00 0.00 O ATOM 1295 CB LEU A 82 1.062 -9.058 1.556 1.00 0.00 C ATOM 1296 CG LEU A 82 1.333 -7.571 1.789 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.480 -7.045 2.932 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.809 -7.338 2.073 1.00 0.00 C ATOM 0 H LEU A 82 0.646 -8.063 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 82 2.752 -9.625 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.016 -9.216 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.449 -9.620 2.406 1.00 0.00 H new ATOM 0 HG LEU A 82 1.066 -7.026 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.687 -5.985 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.574 -7.178 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.715 -7.594 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.985 -6.275 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.101 -7.895 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.401 -7.677 1.223 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.062 -11.247 -0.259 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.612 -12.578 -0.469 1.00 0.00 C ATOM 1312 C ALA A 83 0.151 -13.322 -1.551 1.00 0.00 C ATOM 1313 O ALA A 83 0.510 -14.487 -1.378 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.093 -12.501 -0.807 1.00 0.00 C ATOM 0 H ALA A 83 -0.728 -10.486 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.502 -13.137 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.484 -13.507 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.629 -12.024 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.229 -11.917 -1.717 1.00 0.00 H new ATOM 1320 N LYS A 84 0.419 -12.650 -2.660 1.00 0.00 N ATOM 1321 CA LYS A 84 1.168 -13.275 -3.738 1.00 0.00 C ATOM 1322 C LYS A 84 2.568 -13.612 -3.247 1.00 0.00 C ATOM 1323 O LYS A 84 3.075 -14.709 -3.476 1.00 0.00 O ATOM 1324 CB LYS A 84 1.241 -12.358 -4.959 1.00 0.00 C ATOM 1325 CG LYS A 84 -0.041 -12.327 -5.775 1.00 0.00 C ATOM 1326 CD LYS A 84 -0.296 -13.659 -6.464 1.00 0.00 C ATOM 1327 CE LYS A 84 -1.184 -14.564 -5.623 1.00 0.00 C ATOM 1328 NZ LYS A 84 -2.480 -14.853 -6.297 1.00 0.00 N ATOM 0 H LYS A 84 0.134 -11.687 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 84 0.656 -14.189 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.476 -11.346 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.061 -12.684 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.882 -12.086 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.021 -11.536 -6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.766 -13.484 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.654 -14.157 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.662 -15.500 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.374 -14.092 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.056 -15.472 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.990 -13.962 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.301 -15.326 -7.206 1.00 0.00 H new ATOM 1342 N TYR A 85 3.193 -12.646 -2.576 1.00 0.00 N ATOM 1343 CA TYR A 85 4.540 -12.842 -2.065 1.00 0.00 C ATOM 1344 C TYR A 85 4.609 -14.056 -1.140 1.00 0.00 C ATOM 1345 O TYR A 85 5.455 -14.930 -1.335 1.00 0.00 O ATOM 1346 CB TYR A 85 5.053 -11.594 -1.351 1.00 0.00 C ATOM 1347 CG TYR A 85 6.524 -11.351 -1.594 1.00 0.00 C ATOM 1348 CD1 TYR A 85 6.963 -10.780 -2.781 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.473 -11.710 -0.647 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.308 -10.569 -3.015 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.819 -11.504 -0.875 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.232 -10.934 -2.059 1.00 0.00 C ATOM 1353 OH TYR A 85 10.572 -10.729 -2.290 1.00 0.00 O ATOM 0 H TYR A 85 2.790 -11.730 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 85 5.187 -13.029 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.485 -10.727 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.877 -11.694 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.242 -10.496 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.154 -12.157 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.634 -10.121 -3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.545 -11.789 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 85 11.095 -11.385 -1.784 1.00 0.00 H new ATOM 1363 N ARG A 86 3.725 -14.134 -0.137 1.00 0.00 N ATOM 1364 CA ARG A 86 3.740 -15.280 0.772 1.00 0.00 C ATOM 1365 C ARG A 86 3.609 -16.566 -0.032 1.00 0.00 C ATOM 1366 O ARG A 86 4.359 -17.522 0.166 1.00 0.00 O ATOM 1367 CB ARG A 86 2.621 -15.180 1.815 1.00 0.00 C ATOM 1368 CG ARG A 86 1.247 -14.911 1.228 1.00 0.00 C ATOM 1369 CD ARG A 86 0.229 -14.603 2.314 1.00 0.00 C ATOM 1370 NE ARG A 86 0.288 -15.567 3.412 1.00 0.00 N ATOM 1371 CZ ARG A 86 -0.691 -16.421 3.717 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -1.813 -16.448 3.007 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -0.544 -17.255 4.737 1.00 0.00 N ATOM 0 H ARG A 86 3.009 -13.435 0.061 1.00 0.00 H new ATOM 0 HA ARG A 86 4.688 -15.284 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.585 -16.109 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.865 -14.384 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.304 -14.073 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.919 -15.778 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.406 -13.600 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.772 -14.606 1.883 1.00 0.00 H new ATOM 0 HE ARG A 86 1.133 -15.588 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.933 -15.812 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.554 -17.105 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.316 -17.243 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.290 -17.909 4.973 1.00 0.00 H new ATOM 1387 N ASP A 87 2.661 -16.564 -0.963 1.00 0.00 N ATOM 1388 CA ASP A 87 2.440 -17.713 -1.830 1.00 0.00 C ATOM 1389 C ASP A 87 3.738 -18.061 -2.557 1.00 0.00 C ATOM 1390 O ASP A 87 4.076 -19.231 -2.734 1.00 0.00 O ATOM 1391 CB ASP A 87 1.327 -17.417 -2.839 1.00 0.00 C ATOM 1392 CG ASP A 87 0.065 -18.206 -2.551 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.556 -17.966 -1.494 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.303 -19.062 -3.383 1.00 0.00 O ATOM 0 H ASP A 87 2.034 -15.779 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 87 2.131 -18.563 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.098 -16.351 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.678 -17.652 -3.844 1.00 0.00 H new ATOM 1399 N PHE A 88 4.462 -17.021 -2.965 1.00 0.00 N ATOM 1400 CA PHE A 88 5.732 -17.182 -3.664 1.00 0.00 C ATOM 1401 C PHE A 88 6.803 -17.726 -2.719 1.00 0.00 C ATOM 1402 O PHE A 88 7.703 -18.456 -3.136 1.00 0.00 O ATOM 1403 CB PHE A 88 6.179 -15.835 -4.244 1.00 0.00 C ATOM 1404 CG PHE A 88 7.601 -15.817 -4.724 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.633 -15.475 -3.863 1.00 0.00 C ATOM 1406 CD2 PHE A 88 7.907 -16.141 -6.035 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.940 -15.457 -4.302 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.212 -16.124 -6.478 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.230 -15.782 -5.611 1.00 0.00 C ATOM 0 H PHE A 88 4.186 -16.050 -2.821 1.00 0.00 H new ATOM 0 HA PHE A 88 5.595 -17.896 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.523 -15.573 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.054 -15.064 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.411 -15.220 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.115 -16.410 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.735 -15.189 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.438 -16.378 -7.503 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.253 -15.769 -5.957 1.00 0.00 H new ATOM 1419 N LEU A 89 6.694 -17.365 -1.446 1.00 0.00 N ATOM 1420 CA LEU A 89 7.648 -17.815 -0.439 1.00 0.00 C ATOM 1421 C LEU A 89 7.406 -19.283 -0.096 1.00 0.00 C ATOM 1422 O LEU A 89 8.337 -20.089 -0.067 1.00 0.00 O ATOM 1423 CB LEU A 89 7.542 -16.952 0.822 1.00 0.00 C ATOM 1424 CG LEU A 89 8.739 -16.036 1.080 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.030 -16.838 1.103 1.00 0.00 C ATOM 1426 CD2 LEU A 89 8.808 -14.941 0.025 1.00 0.00 C ATOM 0 H LEU A 89 5.954 -16.762 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 89 8.654 -17.713 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.643 -16.339 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.413 -17.608 1.683 1.00 0.00 H new ATOM 0 HG LEU A 89 8.610 -15.567 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.871 -16.169 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.980 -17.585 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.166 -17.335 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.666 -14.298 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.914 -15.392 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.894 -14.347 0.057 1.00 0.00 H new ATOM 1438 N LYS A 90 6.143 -19.624 0.133 1.00 0.00 N ATOM 1439 CA LYS A 90 5.752 -20.994 0.445 1.00 0.00 C ATOM 1440 C LYS A 90 5.874 -21.877 -0.797 1.00 0.00 C ATOM 1441 O LYS A 90 6.074 -23.087 -0.700 1.00 0.00 O ATOM 1442 CB LYS A 90 4.319 -21.032 0.982 1.00 0.00 C ATOM 1443 CG LYS A 90 4.241 -21.152 2.495 1.00 0.00 C ATOM 1444 CD LYS A 90 4.292 -19.788 3.166 1.00 0.00 C ATOM 1445 CE LYS A 90 3.629 -19.816 4.534 1.00 0.00 C ATOM 1446 NZ LYS A 90 3.299 -18.447 5.017 1.00 0.00 N ATOM 0 H LYS A 90 5.366 -18.964 0.108 1.00 0.00 H new ATOM 0 HA LYS A 90 6.422 -21.378 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.799 -20.126 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.793 -21.873 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.318 -21.661 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.066 -21.767 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.330 -19.471 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.795 -19.052 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.718 -20.413 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.292 -20.304 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.849 -18.508 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.171 -17.885 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.647 -17.991 4.348 1.00 0.00 H new ATOM 1460 N SER A 91 5.750 -21.246 -1.963 1.00 0.00 N ATOM 1461 CA SER A 91 5.843 -21.951 -3.237 1.00 0.00 C ATOM 1462 C SER A 91 7.284 -22.372 -3.538 1.00 0.00 C ATOM 1463 O SER A 91 7.539 -23.079 -4.512 1.00 0.00 O ATOM 1464 CB SER A 91 5.312 -21.070 -4.369 1.00 0.00 C ATOM 1465 OG SER A 91 3.900 -21.142 -4.452 1.00 0.00 O ATOM 0 H SER A 91 5.584 -20.243 -2.050 1.00 0.00 H new ATOM 0 HA SER A 91 5.234 -22.852 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.617 -20.037 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.751 -21.385 -5.316 1.00 0.00 H new ATOM 0 HG SER A 91 3.504 -20.413 -3.930 1.00 0.00 H new