USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 48 CYS SG : rot -122:sc= -1.54 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.325 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.1 USER MOD Set 4.1: A 9 THR OG1 : rot -24:sc= 0.219 USER MOD Set 4.2: A 87 ASN : amide:sc= -2.35! C(o=-2.1!,f=-5.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0525 K(o=-0.053,f=-1.4) USER MOD Single : A 14 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -1:sc= 0.637 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -113:sc= -1.12 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 59 ASN : amide:sc= -1.27! C(o=-1.3!,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 55:sc= -0.0492 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 92 SER OG : rot -150:sc= -0.461 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.709 11.061 1.335 1.00 0.00 N ATOM 81 CA THR A 9 -2.036 10.505 1.132 1.00 0.00 C ATOM 82 C THR A 9 -2.319 9.411 2.163 1.00 0.00 C ATOM 83 O THR A 9 -1.396 8.878 2.778 1.00 0.00 O ATOM 84 CB THR A 9 -2.127 10.015 -0.314 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.118 9.012 -0.405 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.686 11.078 -1.322 1.00 0.00 C ATOM 0 HA THR A 9 -2.808 11.259 1.284 1.00 0.00 H new ATOM 0 HB THR A 9 -3.152 9.712 -0.530 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.433 9.175 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.770 10.678 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.323 11.957 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.650 11.357 -1.127 1.00 0.00 H new ATOM 94 N SER A 10 -3.599 9.109 2.322 1.00 0.00 N ATOM 95 CA SER A 10 -4.016 8.088 3.268 1.00 0.00 C ATOM 96 C SER A 10 -3.366 6.749 2.913 1.00 0.00 C ATOM 97 O SER A 10 -3.294 6.382 1.742 1.00 0.00 O ATOM 98 CB SER A 10 -5.540 7.949 3.293 1.00 0.00 C ATOM 99 OG SER A 10 -6.068 8.092 4.608 1.00 0.00 O ATOM 0 H SER A 10 -4.362 9.554 1.811 1.00 0.00 H new ATOM 0 HA SER A 10 -3.690 8.390 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.983 8.701 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.822 6.975 2.893 1.00 0.00 H new ATOM 0 HG SER A 10 -7.043 7.999 4.581 1.00 0.00 H new ATOM 105 N ALA A 11 -2.910 6.057 3.947 1.00 0.00 N ATOM 106 CA ALA A 11 -2.269 4.767 3.759 1.00 0.00 C ATOM 107 C ALA A 11 -3.200 3.851 2.962 1.00 0.00 C ATOM 108 O ALA A 11 -4.384 4.145 2.807 1.00 0.00 O ATOM 109 CB ALA A 11 -1.898 4.177 5.121 1.00 0.00 C ATOM 0 H ALA A 11 -2.972 6.365 4.917 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.346 4.877 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.417 3.209 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.213 4.851 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.800 4.050 5.720 1.00 0.00 H new ATOM 115 N PRO A 12 -2.614 2.729 2.463 1.00 0.00 N ATOM 116 CA PRO A 12 -3.378 1.768 1.686 1.00 0.00 C ATOM 117 C PRO A 12 -4.289 0.933 2.588 1.00 0.00 C ATOM 118 O PRO A 12 -4.011 0.769 3.775 1.00 0.00 O ATOM 119 CB PRO A 12 -2.336 0.934 0.958 1.00 0.00 C ATOM 120 CG PRO A 12 -1.031 1.150 1.707 1.00 0.00 C ATOM 121 CD PRO A 12 -1.214 2.348 2.626 1.00 0.00 C ATOM 0 HA PRO A 12 -4.055 2.244 0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.613 -0.120 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.245 1.245 -0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.770 0.263 2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.214 1.327 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.992 2.090 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.547 3.164 2.350 1.00 0.00 H new ATOM 129 N GLN A 13 -5.358 0.428 1.990 1.00 0.00 N ATOM 130 CA GLN A 13 -6.311 -0.386 2.725 1.00 0.00 C ATOM 131 C GLN A 13 -6.888 -1.476 1.819 1.00 0.00 C ATOM 132 O GLN A 13 -6.752 -1.410 0.598 1.00 0.00 O ATOM 133 CB GLN A 13 -7.425 0.477 3.321 1.00 0.00 C ATOM 134 CG GLN A 13 -7.654 1.734 2.480 1.00 0.00 C ATOM 135 CD GLN A 13 -9.064 2.289 2.696 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.833 1.801 3.507 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.358 3.333 1.926 1.00 0.00 N ATOM 0 H GLN A 13 -5.585 0.567 1.005 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.787 -0.867 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.348 -0.101 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.165 0.760 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.917 2.492 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.508 1.502 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.667 3.692 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.275 3.775 1.994 1.00 0.00 H new ATOM 146 N HIS A 14 -7.521 -2.453 2.452 1.00 0.00 N ATOM 147 CA HIS A 14 -8.119 -3.555 1.718 1.00 0.00 C ATOM 148 C HIS A 14 -7.021 -4.375 1.037 1.00 0.00 C ATOM 149 O HIS A 14 -7.205 -4.861 -0.078 1.00 0.00 O ATOM 150 CB HIS A 14 -9.173 -3.044 0.734 1.00 0.00 C ATOM 151 CG HIS A 14 -10.480 -2.653 1.383 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.551 -3.523 1.495 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.876 -1.479 1.952 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.542 -2.890 2.106 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.122 -1.623 2.388 1.00 0.00 N ATOM 0 H HIS A 14 -7.633 -2.504 3.465 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.641 -4.216 2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.771 -2.182 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.365 -3.817 -0.010 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.278 -0.584 2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.512 -3.304 2.340 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.674 -0.905 2.857 1.00 0.00 H new ATOM 163 N LEU A 15 -5.903 -4.503 1.736 1.00 0.00 N ATOM 164 CA LEU A 15 -4.775 -5.255 1.213 1.00 0.00 C ATOM 165 C LEU A 15 -4.870 -6.706 1.689 1.00 0.00 C ATOM 166 O LEU A 15 -4.739 -6.981 2.881 1.00 0.00 O ATOM 167 CB LEU A 15 -3.457 -4.571 1.583 1.00 0.00 C ATOM 168 CG LEU A 15 -2.181 -5.341 1.237 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.805 -5.145 -0.233 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.037 -4.959 2.178 1.00 0.00 C ATOM 0 H LEU A 15 -5.754 -4.099 2.660 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.802 -5.274 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.420 -3.603 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.460 -4.376 2.655 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.374 -6.404 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.895 -5.703 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.614 -5.507 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.638 -4.086 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.142 -5.521 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.835 -3.891 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.318 -5.192 3.205 1.00 0.00 H new ATOM 182 N THR A 16 -5.096 -7.595 0.734 1.00 0.00 N ATOM 183 CA THR A 16 -5.210 -9.011 1.041 1.00 0.00 C ATOM 184 C THR A 16 -4.498 -9.846 -0.024 1.00 0.00 C ATOM 185 O THR A 16 -4.097 -9.323 -1.063 1.00 0.00 O ATOM 186 CB THR A 16 -6.697 -9.346 1.181 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.328 -8.553 0.179 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.291 -8.830 2.494 1.00 0.00 C ATOM 0 H THR A 16 -5.203 -7.363 -0.253 1.00 0.00 H new ATOM 0 HA THR A 16 -4.717 -9.253 1.983 1.00 0.00 H new ATOM 0 HB THR A 16 -6.834 -10.426 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.295 -8.710 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.347 -9.094 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.764 -9.282 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.185 -7.746 2.540 1.00 0.00 H new ATOM 196 N VAL A 17 -4.361 -11.131 0.271 1.00 0.00 N ATOM 197 CA VAL A 17 -3.703 -12.044 -0.649 1.00 0.00 C ATOM 198 C VAL A 17 -4.756 -12.725 -1.525 1.00 0.00 C ATOM 199 O VAL A 17 -5.570 -13.504 -1.032 1.00 0.00 O ATOM 200 CB VAL A 17 -2.840 -13.038 0.130 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.307 -14.139 -0.789 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.695 -12.324 0.850 1.00 0.00 C ATOM 0 H VAL A 17 -4.694 -11.561 1.134 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.031 -11.500 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.470 -13.507 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.697 -14.832 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.143 -14.677 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.701 -13.693 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.097 -13.054 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.067 -11.815 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.104 -11.594 1.549 1.00 0.00 H new ATOM 212 N GLU A 18 -4.706 -12.406 -2.810 1.00 0.00 N ATOM 213 CA GLU A 18 -5.646 -12.977 -3.760 1.00 0.00 C ATOM 214 C GLU A 18 -5.251 -14.416 -4.097 1.00 0.00 C ATOM 215 O GLU A 18 -6.095 -15.312 -4.094 1.00 0.00 O ATOM 216 CB GLU A 18 -5.734 -12.122 -5.026 1.00 0.00 C ATOM 217 CG GLU A 18 -6.280 -10.728 -4.709 1.00 0.00 C ATOM 218 CD GLU A 18 -7.738 -10.801 -4.251 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.606 -10.936 -5.141 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.952 -10.721 -3.023 1.00 0.00 O ATOM 0 H GLU A 18 -4.029 -11.759 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.634 -12.990 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.747 -12.035 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.379 -12.612 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.674 -10.264 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.204 -10.094 -5.593 1.00 0.00 H new ATOM 227 N ASP A 19 -3.969 -14.594 -4.378 1.00 0.00 N ATOM 228 CA ASP A 19 -3.452 -15.909 -4.717 1.00 0.00 C ATOM 229 C ASP A 19 -2.010 -16.029 -4.220 1.00 0.00 C ATOM 230 O ASP A 19 -1.367 -15.024 -3.922 1.00 0.00 O ATOM 231 CB ASP A 19 -3.451 -16.128 -6.231 1.00 0.00 C ATOM 232 CG ASP A 19 -3.333 -17.587 -6.673 1.00 0.00 C ATOM 233 OD1 ASP A 19 -3.562 -18.462 -5.810 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.017 -17.796 -7.865 1.00 0.00 O ATOM 0 H ASP A 19 -3.272 -13.849 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.093 -16.655 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.370 -15.712 -6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.624 -15.565 -6.664 1.00 0.00 H new ATOM 239 N VAL A 20 -1.544 -17.267 -4.147 1.00 0.00 N ATOM 240 CA VAL A 20 -0.190 -17.531 -3.692 1.00 0.00 C ATOM 241 C VAL A 20 0.435 -18.620 -4.567 1.00 0.00 C ATOM 242 O VAL A 20 -0.211 -19.620 -4.876 1.00 0.00 O ATOM 243 CB VAL A 20 -0.198 -17.892 -2.205 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.198 -18.303 -1.732 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.743 -16.736 -1.364 1.00 0.00 C ATOM 0 H VAL A 20 -2.080 -18.098 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 20 0.427 -16.638 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.861 -18.746 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.164 -18.554 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.534 -19.171 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.892 -17.477 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.738 -17.018 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.117 -15.855 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.763 -16.510 -1.674 1.00 0.00 H new ATOM 255 N THR A 21 1.684 -18.388 -4.943 1.00 0.00 N ATOM 256 CA THR A 21 2.403 -19.336 -5.776 1.00 0.00 C ATOM 257 C THR A 21 3.479 -20.055 -4.960 1.00 0.00 C ATOM 258 O THR A 21 3.392 -20.124 -3.735 1.00 0.00 O ATOM 259 CB THR A 21 2.960 -18.578 -6.983 1.00 0.00 C ATOM 260 OG1 THR A 21 1.965 -17.599 -7.267 1.00 0.00 O ATOM 261 CG2 THR A 21 3.007 -19.440 -8.246 1.00 0.00 C ATOM 0 H THR A 21 2.216 -17.557 -4.686 1.00 0.00 H new ATOM 0 HA THR A 21 1.741 -20.120 -6.144 1.00 0.00 H new ATOM 0 HB THR A 21 3.963 -18.217 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.246 -17.061 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.410 -18.854 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.644 -20.307 -8.071 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.000 -19.774 -8.496 1.00 0.00 H new ATOM 269 N ASP A 22 4.469 -20.573 -5.672 1.00 0.00 N ATOM 270 CA ASP A 22 5.561 -21.284 -5.030 1.00 0.00 C ATOM 271 C ASP A 22 6.649 -20.285 -4.629 1.00 0.00 C ATOM 272 O ASP A 22 7.112 -20.290 -3.490 1.00 0.00 O ATOM 273 CB ASP A 22 6.186 -22.308 -5.979 1.00 0.00 C ATOM 274 CG ASP A 22 5.185 -23.135 -6.788 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.563 -22.544 -7.697 1.00 0.00 O ATOM 276 OD2 ASP A 22 5.064 -24.340 -6.479 1.00 0.00 O ATOM 0 H ASP A 22 4.538 -20.514 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 22 5.160 -21.799 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.845 -21.784 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.809 -22.987 -5.397 1.00 0.00 H new ATOM 281 N THR A 23 7.025 -19.453 -5.589 1.00 0.00 N ATOM 282 CA THR A 23 8.050 -18.450 -5.350 1.00 0.00 C ATOM 283 C THR A 23 7.500 -17.049 -5.628 1.00 0.00 C ATOM 284 O THR A 23 8.253 -16.077 -5.653 1.00 0.00 O ATOM 285 CB THR A 23 9.267 -18.806 -6.206 1.00 0.00 C ATOM 286 OG1 THR A 23 8.729 -19.001 -7.511 1.00 0.00 O ATOM 287 CG2 THR A 23 9.862 -20.167 -5.841 1.00 0.00 C ATOM 0 H THR A 23 6.639 -19.452 -6.533 1.00 0.00 H new ATOM 0 HA THR A 23 8.360 -18.442 -4.305 1.00 0.00 H new ATOM 0 HB THR A 23 10.029 -18.035 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.451 -19.234 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.723 -20.371 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.177 -20.158 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.111 -20.943 -5.987 1.00 0.00 H new ATOM 295 N THR A 24 6.192 -16.991 -5.829 1.00 0.00 N ATOM 296 CA THR A 24 5.533 -15.726 -6.103 1.00 0.00 C ATOM 297 C THR A 24 4.187 -15.657 -5.378 1.00 0.00 C ATOM 298 O THR A 24 3.680 -16.673 -4.906 1.00 0.00 O ATOM 299 CB THR A 24 5.413 -15.574 -7.621 1.00 0.00 C ATOM 300 OG1 THR A 24 5.153 -16.897 -8.083 1.00 0.00 O ATOM 301 CG2 THR A 24 6.745 -15.205 -8.279 1.00 0.00 C ATOM 0 H THR A 24 5.571 -17.800 -5.808 1.00 0.00 H new ATOM 0 HA THR A 24 6.115 -14.887 -5.722 1.00 0.00 H new ATOM 0 HB THR A 24 4.670 -14.811 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.059 -16.890 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.605 -15.109 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.101 -14.258 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.479 -15.985 -8.077 1.00 0.00 H new ATOM 309 N THR A 25 3.648 -14.448 -5.313 1.00 0.00 N ATOM 310 CA THR A 25 2.371 -14.234 -4.653 1.00 0.00 C ATOM 311 C THR A 25 1.649 -13.033 -5.267 1.00 0.00 C ATOM 312 O THR A 25 2.266 -12.212 -5.944 1.00 0.00 O ATOM 313 CB THR A 25 2.633 -14.083 -3.154 1.00 0.00 C ATOM 314 OG1 THR A 25 2.894 -15.412 -2.711 1.00 0.00 O ATOM 315 CG2 THR A 25 1.380 -13.671 -2.379 1.00 0.00 C ATOM 0 H THR A 25 4.072 -13.608 -5.706 1.00 0.00 H new ATOM 0 HA THR A 25 1.704 -15.084 -4.797 1.00 0.00 H new ATOM 0 HB THR A 25 3.417 -13.343 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.816 -16.030 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.621 -13.578 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.018 -12.714 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.606 -14.428 -2.510 1.00 0.00 H new ATOM 323 N THR A 26 0.351 -12.968 -5.010 1.00 0.00 N ATOM 324 CA THR A 26 -0.462 -11.882 -5.529 1.00 0.00 C ATOM 325 C THR A 26 -1.011 -11.032 -4.382 1.00 0.00 C ATOM 326 O THR A 26 -1.298 -11.549 -3.303 1.00 0.00 O ATOM 327 CB THR A 26 -1.554 -12.488 -6.412 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.834 -13.178 -7.430 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.349 -11.425 -7.173 1.00 0.00 C ATOM 0 H THR A 26 -0.158 -13.651 -4.449 1.00 0.00 H new ATOM 0 HA THR A 26 0.131 -11.202 -6.141 1.00 0.00 H new ATOM 0 HB THR A 26 -2.233 -13.077 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.466 -13.603 -8.047 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.111 -11.909 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.828 -10.751 -6.463 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.676 -10.857 -7.815 1.00 0.00 H new ATOM 337 N LEU A 27 -1.142 -9.741 -4.653 1.00 0.00 N ATOM 338 CA LEU A 27 -1.652 -8.815 -3.657 1.00 0.00 C ATOM 339 C LEU A 27 -2.646 -7.858 -4.319 1.00 0.00 C ATOM 340 O LEU A 27 -2.526 -7.555 -5.504 1.00 0.00 O ATOM 341 CB LEU A 27 -0.498 -8.106 -2.944 1.00 0.00 C ATOM 342 CG LEU A 27 0.447 -9.003 -2.143 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.812 -8.337 -1.960 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.179 -9.403 -0.805 1.00 0.00 C ATOM 0 H LEU A 27 -0.903 -9.315 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.195 -9.352 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.088 -7.568 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.918 -7.360 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 27 0.609 -9.920 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.465 -8.996 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.257 -8.145 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.689 -7.395 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.514 -10.041 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.390 -8.508 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.107 -9.946 -0.985 1.00 0.00 H new ATOM 356 N LYS A 28 -3.606 -7.410 -3.523 1.00 0.00 N ATOM 357 CA LYS A 28 -4.621 -6.494 -4.016 1.00 0.00 C ATOM 358 C LYS A 28 -5.045 -5.554 -2.886 1.00 0.00 C ATOM 359 O LYS A 28 -5.577 -5.999 -1.870 1.00 0.00 O ATOM 360 CB LYS A 28 -5.783 -7.269 -4.641 1.00 0.00 C ATOM 361 CG LYS A 28 -5.870 -7.006 -6.146 1.00 0.00 C ATOM 362 CD LYS A 28 -7.327 -6.976 -6.614 1.00 0.00 C ATOM 363 CE LYS A 28 -7.445 -6.332 -7.996 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.644 -5.466 -8.064 1.00 0.00 N ATOM 0 H LYS A 28 -3.702 -7.664 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.218 -5.871 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.652 -8.336 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.718 -6.978 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.389 -6.057 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.327 -7.781 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.723 -7.991 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.932 -6.421 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.552 -5.744 -8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.505 -7.106 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.709 -5.037 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.495 -6.036 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.572 -4.716 -7.347 1.00 0.00 H new ATOM 378 N TRP A 29 -4.795 -4.271 -3.102 1.00 0.00 N ATOM 379 CA TRP A 29 -5.145 -3.264 -2.115 1.00 0.00 C ATOM 380 C TRP A 29 -6.104 -2.270 -2.772 1.00 0.00 C ATOM 381 O TRP A 29 -6.491 -2.446 -3.926 1.00 0.00 O ATOM 382 CB TRP A 29 -3.891 -2.597 -1.544 1.00 0.00 C ATOM 383 CG TRP A 29 -3.115 -1.759 -2.561 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.439 -0.558 -3.060 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.862 -2.109 -3.186 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.491 -0.111 -3.957 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.501 -1.084 -4.036 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.060 -3.254 -3.037 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.331 -1.101 -4.805 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.106 -3.256 -3.812 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.483 -2.232 -4.674 1.00 0.00 C ATOM 0 H TRP A 29 -4.354 -3.906 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.647 -3.719 -1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.179 -1.960 -0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.232 -3.368 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.330 -0.009 -2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.512 0.771 -4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.323 -4.068 -2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.071 -0.286 -5.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.759 -4.113 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.400 -2.309 -5.240 1.00 0.00 H new ATOM 402 N ARG A 30 -6.459 -1.246 -2.010 1.00 0.00 N ATOM 403 CA ARG A 30 -7.365 -0.223 -2.504 1.00 0.00 C ATOM 404 C ARG A 30 -6.737 1.163 -2.348 1.00 0.00 C ATOM 405 O ARG A 30 -5.888 1.370 -1.483 1.00 0.00 O ATOM 406 CB ARG A 30 -8.698 -0.260 -1.755 1.00 0.00 C ATOM 407 CG ARG A 30 -9.598 -1.375 -2.290 1.00 0.00 C ATOM 408 CD ARG A 30 -11.045 -0.894 -2.425 1.00 0.00 C ATOM 409 NE ARG A 30 -11.694 -0.862 -1.095 1.00 0.00 N ATOM 410 CZ ARG A 30 -12.949 -0.446 -0.882 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.699 -0.023 -1.909 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.456 -0.451 0.359 1.00 0.00 N ATOM 0 H ARG A 30 -6.135 -1.103 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.549 -0.424 -3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.517 -0.413 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.203 0.700 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.230 -1.710 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.557 -2.233 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.066 0.099 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.596 -1.557 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.151 -1.176 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.314 -0.018 -2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.655 0.294 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.886 -0.772 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.412 -0.134 0.521 1.00 0.00 H new ATOM 426 N PRO A 31 -7.191 2.101 -3.222 1.00 0.00 N ATOM 427 CA PRO A 31 -6.683 3.462 -3.189 1.00 0.00 C ATOM 428 C PRO A 31 -7.263 4.236 -2.003 1.00 0.00 C ATOM 429 O PRO A 31 -8.313 3.873 -1.474 1.00 0.00 O ATOM 430 CB PRO A 31 -7.069 4.059 -4.533 1.00 0.00 C ATOM 431 CG PRO A 31 -8.175 3.172 -5.080 1.00 0.00 C ATOM 432 CD PRO A 31 -8.196 1.893 -4.260 1.00 0.00 C ATOM 0 HA PRO A 31 -5.603 3.504 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.413 5.087 -4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.215 4.081 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.137 3.680 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.999 2.948 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.181 1.716 -3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.957 1.025 -4.874 1.00 0.00 H new ATOM 440 N PRO A 32 -6.536 5.315 -1.609 1.00 0.00 N ATOM 441 CA PRO A 32 -6.967 6.143 -0.496 1.00 0.00 C ATOM 442 C PRO A 32 -8.141 7.038 -0.900 1.00 0.00 C ATOM 443 O PRO A 32 -8.529 7.069 -2.067 1.00 0.00 O ATOM 444 CB PRO A 32 -5.732 6.931 -0.090 1.00 0.00 C ATOM 445 CG PRO A 32 -4.785 6.862 -1.277 1.00 0.00 C ATOM 446 CD PRO A 32 -5.288 5.775 -2.212 1.00 0.00 C ATOM 0 HA PRO A 32 -7.343 5.557 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.988 7.964 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.272 6.505 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.748 7.822 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.771 6.640 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.453 6.163 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.567 4.962 -2.298 1.00 0.00 H new ATOM 454 N ASP A 33 -8.673 7.743 0.087 1.00 0.00 N ATOM 455 CA ASP A 33 -9.794 8.636 -0.151 1.00 0.00 C ATOM 456 C ASP A 33 -9.326 10.086 -0.008 1.00 0.00 C ATOM 457 O ASP A 33 -9.948 10.999 -0.547 1.00 0.00 O ATOM 458 CB ASP A 33 -10.913 8.398 0.865 1.00 0.00 C ATOM 459 CG ASP A 33 -12.264 9.012 0.494 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.245 10.125 -0.074 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.286 8.354 0.788 1.00 0.00 O ATOM 0 H ASP A 33 -8.349 7.714 1.054 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.171 8.443 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.043 7.324 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.600 8.800 1.828 1.00 0.00 H new ATOM 466 N ARG A 34 -8.232 10.251 0.722 1.00 0.00 N ATOM 467 CA ARG A 34 -7.673 11.574 0.943 1.00 0.00 C ATOM 468 C ARG A 34 -6.398 11.756 0.117 1.00 0.00 C ATOM 469 O ARG A 34 -5.293 11.589 0.630 1.00 0.00 O ATOM 470 CB ARG A 34 -7.350 11.796 2.422 1.00 0.00 C ATOM 471 CG ARG A 34 -8.586 12.275 3.186 1.00 0.00 C ATOM 472 CD ARG A 34 -8.457 13.752 3.566 1.00 0.00 C ATOM 473 NE ARG A 34 -8.745 13.931 5.007 1.00 0.00 N ATOM 474 CZ ARG A 34 -7.988 13.430 5.992 1.00 0.00 C ATOM 475 NH1 ARG A 34 -6.893 12.716 5.699 1.00 0.00 N ATOM 476 NH2 ARG A 34 -8.327 13.642 7.271 1.00 0.00 N ATOM 0 H ARG A 34 -7.718 9.491 1.168 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.419 12.305 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.983 10.868 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.551 12.531 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.476 12.130 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.717 11.674 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.452 14.107 3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.147 14.351 2.972 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.572 14.470 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.635 12.554 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.317 12.335 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.161 14.185 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.751 13.261 8.021 1.00 0.00 H new ATOM 559 N ASP A 41 1.917 8.702 -6.386 1.00 0.00 N ATOM 560 CA ASP A 41 2.844 8.158 -7.363 1.00 0.00 C ATOM 561 C ASP A 41 2.559 6.668 -7.556 1.00 0.00 C ATOM 562 O ASP A 41 2.522 6.180 -8.685 1.00 0.00 O ATOM 563 CB ASP A 41 4.292 8.305 -6.890 1.00 0.00 C ATOM 564 CG ASP A 41 5.130 9.316 -7.674 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.596 9.839 -8.676 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.285 9.543 -7.255 1.00 0.00 O ATOM 0 HA ASP A 41 2.711 8.707 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.287 8.597 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.778 7.331 -6.948 1.00 0.00 H new ATOM 571 N GLY A 42 2.364 5.985 -6.438 1.00 0.00 N ATOM 572 CA GLY A 42 2.082 4.560 -6.470 1.00 0.00 C ATOM 573 C GLY A 42 2.161 3.954 -5.067 1.00 0.00 C ATOM 574 O GLY A 42 1.714 4.563 -4.097 1.00 0.00 O ATOM 0 H GLY A 42 2.396 6.392 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.089 4.391 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.793 4.059 -7.127 1.00 0.00 H new ATOM 578 N TYR A 43 2.734 2.761 -5.005 1.00 0.00 N ATOM 579 CA TYR A 43 2.878 2.065 -3.737 1.00 0.00 C ATOM 580 C TYR A 43 4.125 1.179 -3.736 1.00 0.00 C ATOM 581 O TYR A 43 4.450 0.557 -4.746 1.00 0.00 O ATOM 582 CB TYR A 43 1.638 1.179 -3.599 1.00 0.00 C ATOM 583 CG TYR A 43 0.421 1.899 -3.014 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.342 2.127 -1.655 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.597 2.320 -3.845 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.804 2.805 -1.105 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.742 2.998 -3.295 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.789 3.207 -1.952 1.00 0.00 C ATOM 589 OH TYR A 43 -2.871 3.846 -1.432 1.00 0.00 O ATOM 0 H TYR A 43 3.104 2.259 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 43 2.977 2.777 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.376 0.783 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.882 0.326 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.139 1.797 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.535 2.141 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.879 2.990 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.545 3.333 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.666 3.282 -1.537 1.00 0.00 H new ATOM 599 N LEU A 44 4.791 1.151 -2.590 1.00 0.00 N ATOM 600 CA LEU A 44 5.995 0.351 -2.444 1.00 0.00 C ATOM 601 C LEU A 44 5.661 -0.931 -1.681 1.00 0.00 C ATOM 602 O LEU A 44 5.080 -0.880 -0.598 1.00 0.00 O ATOM 603 CB LEU A 44 7.112 1.177 -1.802 1.00 0.00 C ATOM 604 CG LEU A 44 8.144 1.772 -2.762 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.238 2.518 -1.996 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.721 0.694 -3.682 1.00 0.00 C ATOM 0 H LEU A 44 4.519 1.669 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 44 6.374 0.050 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.656 1.992 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.635 0.547 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 44 7.641 2.502 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.959 2.931 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.791 3.327 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.745 1.828 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.452 1.143 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.205 -0.076 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.917 0.246 -4.266 1.00 0.00 H new ATOM 618 N VAL A 45 6.043 -2.052 -2.275 1.00 0.00 N ATOM 619 CA VAL A 45 5.792 -3.346 -1.664 1.00 0.00 C ATOM 620 C VAL A 45 7.097 -3.894 -1.082 1.00 0.00 C ATOM 621 O VAL A 45 8.119 -3.927 -1.766 1.00 0.00 O ATOM 622 CB VAL A 45 5.149 -4.290 -2.682 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.686 -5.586 -2.013 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.991 -3.605 -3.410 1.00 0.00 C ATOM 0 H VAL A 45 6.525 -2.091 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 45 5.085 -3.247 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 45 5.905 -4.548 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.233 -6.239 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.542 -6.089 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.953 -5.355 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.552 -4.298 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.234 -3.304 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.361 -2.725 -3.935 1.00 0.00 H new ATOM 634 N GLU A 46 7.021 -4.308 0.174 1.00 0.00 N ATOM 635 CA GLU A 46 8.183 -4.852 0.854 1.00 0.00 C ATOM 636 C GLU A 46 7.773 -6.020 1.754 1.00 0.00 C ATOM 637 O GLU A 46 6.757 -5.950 2.444 1.00 0.00 O ATOM 638 CB GLU A 46 8.905 -3.768 1.658 1.00 0.00 C ATOM 639 CG GLU A 46 9.316 -2.601 0.758 1.00 0.00 C ATOM 640 CD GLU A 46 10.633 -1.981 1.230 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.474 -2.754 1.737 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.768 -0.749 1.074 1.00 0.00 O ATOM 0 H GLU A 46 6.172 -4.277 0.739 1.00 0.00 H new ATOM 0 HA GLU A 46 8.878 -5.225 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.254 -3.406 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.788 -4.192 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.422 -2.949 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.532 -1.843 0.759 1.00 0.00 H new ATOM 649 N TYR A 47 8.585 -7.067 1.718 1.00 0.00 N ATOM 650 CA TYR A 47 8.320 -8.248 2.521 1.00 0.00 C ATOM 651 C TYR A 47 9.466 -8.514 3.499 1.00 0.00 C ATOM 652 O TYR A 47 10.630 -8.280 3.176 1.00 0.00 O ATOM 653 CB TYR A 47 8.224 -9.415 1.537 1.00 0.00 C ATOM 654 CG TYR A 47 9.492 -9.638 0.711 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.777 -8.809 -0.355 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.352 -10.669 1.032 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.971 -9.019 -1.132 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.545 -10.880 0.255 1.00 0.00 C ATOM 659 CZ TYR A 47 11.796 -10.045 -0.789 1.00 0.00 C ATOM 660 OH TYR A 47 12.924 -10.243 -1.523 1.00 0.00 O ATOM 0 H TYR A 47 9.427 -7.121 1.145 1.00 0.00 H new ATOM 0 HA TYR A 47 7.409 -8.118 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.999 -10.326 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.388 -9.238 0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.104 -8.002 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.130 -11.318 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.206 -8.377 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.226 -11.683 0.495 1.00 0.00 H new ATOM 0 HH TYR A 47 13.418 -11.009 -1.164 1.00 0.00 H new ATOM 670 N CYS A 48 9.097 -9.001 4.675 1.00 0.00 N ATOM 671 CA CYS A 48 10.080 -9.302 5.702 1.00 0.00 C ATOM 672 C CYS A 48 9.928 -10.772 6.096 1.00 0.00 C ATOM 673 O CYS A 48 8.873 -11.185 6.574 1.00 0.00 O ATOM 674 CB CYS A 48 9.940 -8.371 6.909 1.00 0.00 C ATOM 675 SG CYS A 48 11.256 -8.728 8.129 1.00 0.00 S ATOM 0 H CYS A 48 8.131 -9.195 4.939 1.00 0.00 H new ATOM 0 HA CYS A 48 11.083 -9.133 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.004 -7.332 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.961 -8.503 7.369 1.00 0.00 H new ATOM 0 HG CYS A 48 10.717 -9.031 9.273 1.00 0.00 H new ATOM 681 N LEU A 49 10.998 -11.523 5.880 1.00 0.00 N ATOM 682 CA LEU A 49 10.997 -12.939 6.206 1.00 0.00 C ATOM 683 C LEU A 49 10.867 -13.109 7.721 1.00 0.00 C ATOM 684 O LEU A 49 11.545 -12.426 8.487 1.00 0.00 O ATOM 685 CB LEU A 49 12.230 -13.626 5.614 1.00 0.00 C ATOM 686 CG LEU A 49 12.272 -13.730 4.088 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.635 -13.294 3.547 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.894 -15.137 3.624 1.00 0.00 C ATOM 0 H LEU A 49 11.872 -11.177 5.483 1.00 0.00 H new ATOM 0 HA LEU A 49 10.137 -13.433 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.117 -13.086 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.295 -14.632 6.029 1.00 0.00 H new ATOM 0 HG LEU A 49 11.529 -13.046 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.639 -13.377 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.826 -12.259 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.413 -13.934 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.932 -15.184 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.595 -15.859 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.885 -15.373 3.962 1.00 0.00 H new ATOM 700 N GLU A 50 9.990 -14.024 8.108 1.00 0.00 N ATOM 701 CA GLU A 50 9.761 -14.292 9.518 1.00 0.00 C ATOM 702 C GLU A 50 11.094 -14.497 10.242 1.00 0.00 C ATOM 703 O GLU A 50 11.817 -15.450 9.959 1.00 0.00 O ATOM 704 CB GLU A 50 8.844 -15.502 9.704 1.00 0.00 C ATOM 705 CG GLU A 50 8.932 -16.042 11.133 1.00 0.00 C ATOM 706 CD GLU A 50 8.448 -15.000 12.144 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.218 -14.950 12.361 1.00 0.00 O ATOM 708 OE2 GLU A 50 9.319 -14.279 12.676 1.00 0.00 O ATOM 0 H GLU A 50 9.430 -14.589 7.470 1.00 0.00 H new ATOM 0 HA GLU A 50 9.261 -13.428 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.815 -15.221 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.121 -16.285 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.330 -16.947 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.962 -16.321 11.357 1.00 0.00 H new ATOM 715 N GLY A 51 11.377 -13.587 11.162 1.00 0.00 N ATOM 716 CA GLY A 51 12.609 -13.656 11.928 1.00 0.00 C ATOM 717 C GLY A 51 13.558 -12.518 11.546 1.00 0.00 C ATOM 718 O GLY A 51 14.386 -12.098 12.352 1.00 0.00 O ATOM 0 H GLY A 51 10.774 -12.798 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.382 -13.603 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.097 -14.615 11.753 1.00 0.00 H new ATOM 722 N SER A 52 13.405 -12.052 10.315 1.00 0.00 N ATOM 723 CA SER A 52 14.237 -10.971 9.815 1.00 0.00 C ATOM 724 C SER A 52 13.701 -9.626 10.309 1.00 0.00 C ATOM 725 O SER A 52 12.501 -9.479 10.539 1.00 0.00 O ATOM 726 CB SER A 52 14.303 -10.988 8.287 1.00 0.00 C ATOM 727 OG SER A 52 14.881 -9.795 7.764 1.00 0.00 O ATOM 0 H SER A 52 12.717 -12.404 9.649 1.00 0.00 H new ATOM 0 HA SER A 52 15.248 -11.114 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.887 -11.848 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.299 -11.112 7.882 1.00 0.00 H new ATOM 0 HG SER A 52 14.906 -9.845 6.786 1.00 0.00 H new ATOM 733 N GLU A 53 14.615 -8.679 10.457 1.00 0.00 N ATOM 734 CA GLU A 53 14.248 -7.351 10.920 1.00 0.00 C ATOM 735 C GLU A 53 14.476 -6.321 9.811 1.00 0.00 C ATOM 736 O GLU A 53 14.488 -5.118 10.069 1.00 0.00 O ATOM 737 CB GLU A 53 15.025 -6.977 12.184 1.00 0.00 C ATOM 738 CG GLU A 53 14.317 -7.497 13.436 1.00 0.00 C ATOM 739 CD GLU A 53 14.681 -6.655 14.661 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.896 -6.440 14.862 1.00 0.00 O ATOM 741 OE2 GLU A 53 13.735 -6.245 15.368 1.00 0.00 O ATOM 0 H GLU A 53 15.609 -8.804 10.265 1.00 0.00 H new ATOM 0 HA GLU A 53 13.188 -7.355 11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.032 -7.392 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.129 -5.894 12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.238 -7.476 13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.594 -8.537 13.610 1.00 0.00 H new ATOM 748 N GLU A 54 14.652 -6.831 8.601 1.00 0.00 N ATOM 749 CA GLU A 54 14.879 -5.971 7.452 1.00 0.00 C ATOM 750 C GLU A 54 13.868 -6.283 6.347 1.00 0.00 C ATOM 751 O GLU A 54 13.860 -7.386 5.802 1.00 0.00 O ATOM 752 CB GLU A 54 16.314 -6.110 6.938 1.00 0.00 C ATOM 753 CG GLU A 54 16.521 -5.290 5.663 1.00 0.00 C ATOM 754 CD GLU A 54 17.733 -4.366 5.796 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.604 -3.363 6.531 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.760 -4.682 5.159 1.00 0.00 O ATOM 0 H GLU A 54 14.642 -7.829 8.391 1.00 0.00 H new ATOM 0 HA GLU A 54 14.738 -4.936 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.013 -5.778 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.533 -7.159 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.661 -5.960 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.629 -4.698 5.458 1.00 0.00 H new ATOM 763 N TRP A 55 13.040 -5.292 6.050 1.00 0.00 N ATOM 764 CA TRP A 55 12.027 -5.447 5.020 1.00 0.00 C ATOM 765 C TRP A 55 12.709 -5.290 3.659 1.00 0.00 C ATOM 766 O TRP A 55 13.353 -4.275 3.397 1.00 0.00 O ATOM 767 CB TRP A 55 10.876 -4.461 5.229 1.00 0.00 C ATOM 768 CG TRP A 55 9.985 -4.791 6.429 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.260 -4.630 7.730 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.655 -5.349 6.383 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.209 -5.041 8.524 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.202 -5.492 7.679 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.861 -5.721 5.284 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.940 -6.009 7.997 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.602 -6.235 5.619 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.131 -6.386 6.918 1.00 0.00 C ATOM 0 H TRP A 55 13.050 -4.379 6.505 1.00 0.00 H new ATOM 0 HA TRP A 55 11.574 -6.437 5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.287 -3.460 5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.262 -4.439 4.329 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.188 -4.229 8.110 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.177 -5.018 9.543 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.195 -5.619 4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.608 -6.111 9.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.951 -6.535 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.146 -6.792 7.094 1.00 0.00 H new ATOM 787 N VAL A 56 12.543 -6.309 2.828 1.00 0.00 N ATOM 788 CA VAL A 56 13.134 -6.296 1.501 1.00 0.00 C ATOM 789 C VAL A 56 12.134 -5.703 0.507 1.00 0.00 C ATOM 790 O VAL A 56 10.934 -5.957 0.602 1.00 0.00 O ATOM 791 CB VAL A 56 13.592 -7.705 1.119 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.214 -7.719 -0.279 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.565 -8.266 2.158 1.00 0.00 C ATOM 0 H VAL A 56 12.008 -7.149 3.048 1.00 0.00 H new ATOM 0 HA VAL A 56 14.022 -5.664 1.485 1.00 0.00 H new ATOM 0 HB VAL A 56 12.713 -8.350 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.531 -8.732 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.478 -7.381 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.077 -7.053 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.875 -9.268 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.440 -7.620 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.074 -8.310 3.130 1.00 0.00 H new ATOM 803 N PRO A 57 12.678 -4.902 -0.448 1.00 0.00 N ATOM 804 CA PRO A 57 11.847 -4.270 -1.458 1.00 0.00 C ATOM 805 C PRO A 57 11.400 -5.284 -2.513 1.00 0.00 C ATOM 806 O PRO A 57 12.225 -5.820 -3.253 1.00 0.00 O ATOM 807 CB PRO A 57 12.704 -3.154 -2.032 1.00 0.00 C ATOM 808 CG PRO A 57 14.137 -3.494 -1.655 1.00 0.00 C ATOM 809 CD PRO A 57 14.095 -4.578 -0.591 1.00 0.00 C ATOM 0 HA PRO A 57 10.919 -3.870 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.589 -3.090 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.411 -2.187 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.690 -3.838 -2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.653 -2.610 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.673 -5.452 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.518 -4.226 0.350 1.00 0.00 H new ATOM 817 N ALA A 58 10.096 -5.517 -2.550 1.00 0.00 N ATOM 818 CA ALA A 58 9.531 -6.457 -3.502 1.00 0.00 C ATOM 819 C ALA A 58 9.617 -5.864 -4.910 1.00 0.00 C ATOM 820 O ALA A 58 9.978 -6.559 -5.859 1.00 0.00 O ATOM 821 CB ALA A 58 8.093 -6.791 -3.097 1.00 0.00 C ATOM 0 H ALA A 58 9.415 -5.071 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 58 10.095 -7.390 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.668 -7.496 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.089 -7.236 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.496 -5.879 -3.089 1.00 0.00 H new ATOM 827 N ASN A 59 9.279 -4.587 -5.001 1.00 0.00 N ATOM 828 CA ASN A 59 9.314 -3.892 -6.277 1.00 0.00 C ATOM 829 C ASN A 59 10.270 -2.702 -6.179 1.00 0.00 C ATOM 830 O ASN A 59 10.051 -1.790 -5.383 1.00 0.00 O ATOM 831 CB ASN A 59 7.930 -3.358 -6.652 1.00 0.00 C ATOM 832 CG ASN A 59 7.356 -2.490 -5.531 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.727 -2.599 -4.374 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.432 -1.624 -5.938 1.00 0.00 N ATOM 0 H ASN A 59 8.979 -4.015 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 59 9.645 -4.600 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.998 -2.775 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.257 -4.191 -6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.988 -0.999 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.168 -1.585 -6.922 1.00 0.00 H new ATOM 841 N LYS A 60 11.309 -2.749 -7.000 1.00 0.00 N ATOM 842 CA LYS A 60 12.299 -1.685 -7.016 1.00 0.00 C ATOM 843 C LYS A 60 11.593 -0.340 -7.200 1.00 0.00 C ATOM 844 O LYS A 60 12.042 0.678 -6.676 1.00 0.00 O ATOM 845 CB LYS A 60 13.371 -1.966 -8.070 1.00 0.00 C ATOM 846 CG LYS A 60 14.758 -1.566 -7.562 1.00 0.00 C ATOM 847 CD LYS A 60 15.676 -1.178 -8.723 1.00 0.00 C ATOM 848 CE LYS A 60 17.082 -1.747 -8.525 1.00 0.00 C ATOM 849 NZ LYS A 60 17.428 -2.671 -9.628 1.00 0.00 N ATOM 0 H LYS A 60 11.487 -3.507 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 60 12.826 -1.641 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.365 -3.025 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.142 -1.416 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.668 -0.729 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.198 -2.394 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.259 -1.548 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.727 -0.092 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.807 -0.934 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.137 -2.273 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.386 -3.048 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.746 -3.456 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.396 -2.159 -10.533 1.00 0.00 H new ATOM 863 N GLU A 61 10.499 -0.380 -7.947 1.00 0.00 N ATOM 864 CA GLU A 61 9.727 0.823 -8.208 1.00 0.00 C ATOM 865 C GLU A 61 8.266 0.615 -7.802 1.00 0.00 C ATOM 866 O GLU A 61 7.792 -0.518 -7.739 1.00 0.00 O ATOM 867 CB GLU A 61 9.834 1.237 -9.677 1.00 0.00 C ATOM 868 CG GLU A 61 9.089 0.252 -10.579 1.00 0.00 C ATOM 869 CD GLU A 61 8.736 0.897 -11.921 1.00 0.00 C ATOM 870 OE1 GLU A 61 9.576 1.682 -12.412 1.00 0.00 O ATOM 871 OE2 GLU A 61 7.634 0.590 -12.426 1.00 0.00 O ATOM 0 H GLU A 61 10.129 -1.226 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 61 10.140 1.633 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.423 2.238 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.883 1.283 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.706 -0.631 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.179 -0.085 -10.083 1.00 0.00 H new ATOM 878 N PRO A 62 7.576 1.755 -7.531 1.00 0.00 N ATOM 879 CA PRO A 62 6.180 1.708 -7.134 1.00 0.00 C ATOM 880 C PRO A 62 5.278 1.406 -8.333 1.00 0.00 C ATOM 881 O PRO A 62 5.430 2.008 -9.395 1.00 0.00 O ATOM 882 CB PRO A 62 5.903 3.065 -6.509 1.00 0.00 C ATOM 883 CG PRO A 62 7.013 3.983 -6.996 1.00 0.00 C ATOM 884 CD PRO A 62 8.106 3.114 -7.596 1.00 0.00 C ATOM 0 HA PRO A 62 5.971 0.907 -6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.925 3.441 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.899 3.000 -5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.631 4.683 -7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.407 4.577 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.324 3.405 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.036 3.204 -7.035 1.00 0.00 H new ATOM 892 N VAL A 63 4.360 0.475 -8.122 1.00 0.00 N ATOM 893 CA VAL A 63 3.434 0.086 -9.173 1.00 0.00 C ATOM 894 C VAL A 63 2.358 1.163 -9.322 1.00 0.00 C ATOM 895 O VAL A 63 2.292 2.095 -8.522 1.00 0.00 O ATOM 896 CB VAL A 63 2.856 -1.299 -8.875 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.969 -2.343 -8.755 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.991 -1.272 -7.614 1.00 0.00 C ATOM 0 H VAL A 63 4.237 -0.022 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 63 3.952 0.009 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 63 2.219 -1.584 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.531 -3.319 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.526 -2.391 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.644 -2.064 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.592 -2.269 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.596 -0.956 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.167 -0.572 -7.753 1.00 0.00 H new ATOM 908 N GLU A 64 1.541 1.000 -10.353 1.00 0.00 N ATOM 909 CA GLU A 64 0.471 1.946 -10.617 1.00 0.00 C ATOM 910 C GLU A 64 -0.881 1.336 -10.244 1.00 0.00 C ATOM 911 O GLU A 64 -1.768 2.035 -9.755 1.00 0.00 O ATOM 912 CB GLU A 64 0.486 2.395 -12.080 1.00 0.00 C ATOM 913 CG GLU A 64 0.430 1.192 -13.023 1.00 0.00 C ATOM 914 CD GLU A 64 0.008 1.618 -14.431 1.00 0.00 C ATOM 915 OE1 GLU A 64 -0.852 2.521 -14.517 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.555 1.032 -15.389 1.00 0.00 O ATOM 0 H GLU A 64 1.599 0.226 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 64 0.631 2.829 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.363 3.051 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.388 2.974 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.407 0.711 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.273 0.455 -12.636 1.00 0.00 H new ATOM 923 N ARG A 65 -0.998 0.040 -10.489 1.00 0.00 N ATOM 924 CA ARG A 65 -2.227 -0.672 -10.185 1.00 0.00 C ATOM 925 C ARG A 65 -2.400 -0.810 -8.672 1.00 0.00 C ATOM 926 O ARG A 65 -1.479 -0.522 -7.909 1.00 0.00 O ATOM 927 CB ARG A 65 -2.230 -2.064 -10.821 1.00 0.00 C ATOM 928 CG ARG A 65 -2.533 -1.982 -12.318 1.00 0.00 C ATOM 929 CD ARG A 65 -3.324 -3.207 -12.785 1.00 0.00 C ATOM 930 NE ARG A 65 -2.446 -4.110 -13.562 1.00 0.00 N ATOM 931 CZ ARG A 65 -2.878 -5.197 -14.216 1.00 0.00 C ATOM 932 NH1 ARG A 65 -4.177 -5.523 -14.190 1.00 0.00 N ATOM 933 NH2 ARG A 65 -2.010 -5.958 -14.896 1.00 0.00 N ATOM 0 H ARG A 65 -0.261 -0.536 -10.895 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.055 -0.095 -10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.261 -2.540 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.974 -2.691 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.101 -1.076 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.601 -1.911 -12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.733 -3.736 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.169 -2.893 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.450 -3.892 -13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.838 -4.944 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.505 -6.350 -14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.021 -5.710 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.338 -6.785 -15.394 1.00 0.00 H new ATOM 947 N CYS A 66 -3.588 -1.251 -8.282 1.00 0.00 N ATOM 948 CA CYS A 66 -3.893 -1.430 -6.872 1.00 0.00 C ATOM 949 C CYS A 66 -3.544 -2.869 -6.485 1.00 0.00 C ATOM 950 O CYS A 66 -4.351 -3.561 -5.865 1.00 0.00 O ATOM 951 CB CYS A 66 -5.353 -1.094 -6.563 1.00 0.00 C ATOM 952 SG CYS A 66 -6.464 -2.146 -7.567 1.00 0.00 S ATOM 0 H CYS A 66 -4.350 -1.489 -8.917 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.296 -0.739 -6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.553 -1.248 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.545 -0.042 -6.775 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.172 -3.397 -7.370 1.00 0.00 H new ATOM 958 N GLY A 67 -2.342 -3.276 -6.865 1.00 0.00 N ATOM 959 CA GLY A 67 -1.877 -4.619 -6.565 1.00 0.00 C ATOM 960 C GLY A 67 -0.489 -4.864 -7.160 1.00 0.00 C ATOM 961 O GLY A 67 0.045 -4.014 -7.870 1.00 0.00 O ATOM 0 H GLY A 67 -1.676 -2.699 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.844 -4.764 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.581 -5.349 -6.963 1.00 0.00 H new ATOM 965 N PHE A 68 0.056 -6.031 -6.849 1.00 0.00 N ATOM 966 CA PHE A 68 1.371 -6.399 -7.344 1.00 0.00 C ATOM 967 C PHE A 68 1.651 -7.884 -7.106 1.00 0.00 C ATOM 968 O PHE A 68 0.923 -8.546 -6.367 1.00 0.00 O ATOM 969 CB PHE A 68 2.391 -5.569 -6.562 1.00 0.00 C ATOM 970 CG PHE A 68 3.843 -5.815 -6.978 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.283 -5.397 -8.194 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.694 -6.453 -6.129 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.630 -5.626 -8.580 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.041 -6.682 -6.514 1.00 0.00 C ATOM 975 CZ PHE A 68 6.481 -6.264 -7.731 1.00 0.00 C ATOM 0 H PHE A 68 -0.390 -6.734 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 68 1.430 -6.213 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.160 -4.512 -6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.286 -5.789 -5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.607 -4.890 -8.867 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.345 -6.785 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.979 -5.294 -9.547 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.716 -7.188 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.506 -6.438 -8.024 1.00 0.00 H new ATOM 985 N THR A 69 2.707 -8.365 -7.745 1.00 0.00 N ATOM 986 CA THR A 69 3.092 -9.759 -7.612 1.00 0.00 C ATOM 987 C THR A 69 4.556 -9.870 -7.181 1.00 0.00 C ATOM 988 O THR A 69 5.451 -9.411 -7.889 1.00 0.00 O ATOM 989 CB THR A 69 2.795 -10.460 -8.939 1.00 0.00 C ATOM 990 OG1 THR A 69 1.393 -10.714 -8.892 1.00 0.00 O ATOM 991 CG2 THR A 69 3.423 -11.853 -9.020 1.00 0.00 C ATOM 0 H THR A 69 3.308 -7.813 -8.357 1.00 0.00 H new ATOM 0 HA THR A 69 2.517 -10.255 -6.830 1.00 0.00 H new ATOM 0 HB THR A 69 3.163 -9.848 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.115 -11.166 -9.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.181 -12.306 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.505 -11.771 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.030 -12.476 -8.217 1.00 0.00 H new ATOM 999 N VAL A 70 4.754 -10.482 -6.023 1.00 0.00 N ATOM 1000 CA VAL A 70 6.093 -10.659 -5.489 1.00 0.00 C ATOM 1001 C VAL A 70 6.706 -11.934 -6.072 1.00 0.00 C ATOM 1002 O VAL A 70 5.986 -12.861 -6.438 1.00 0.00 O ATOM 1003 CB VAL A 70 6.051 -10.660 -3.960 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.460 -10.555 -3.372 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.153 -9.538 -3.435 1.00 0.00 C ATOM 0 H VAL A 70 4.009 -10.862 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 70 6.734 -9.827 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 70 5.624 -11.610 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.401 -10.558 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.058 -11.404 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.926 -9.629 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.141 -9.561 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.538 -8.576 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.140 -9.676 -3.812 1.00 0.00 H new ATOM 1015 N LYS A 71 8.029 -11.940 -6.139 1.00 0.00 N ATOM 1016 CA LYS A 71 8.746 -13.086 -6.671 1.00 0.00 C ATOM 1017 C LYS A 71 9.950 -13.389 -5.776 1.00 0.00 C ATOM 1018 O LYS A 71 10.247 -12.633 -4.853 1.00 0.00 O ATOM 1019 CB LYS A 71 9.114 -12.854 -8.138 1.00 0.00 C ATOM 1020 CG LYS A 71 10.063 -11.663 -8.284 1.00 0.00 C ATOM 1021 CD LYS A 71 9.854 -10.957 -9.625 1.00 0.00 C ATOM 1022 CE LYS A 71 8.547 -10.161 -9.627 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.758 -8.819 -10.214 1.00 0.00 N ATOM 0 H LYS A 71 8.623 -11.169 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 71 8.110 -13.971 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.584 -13.750 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.210 -12.676 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.897 -10.959 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.095 -12.004 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.692 -10.288 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.837 -11.693 -10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.788 -10.698 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.172 -10.064 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.861 -8.292 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.467 -8.303 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.095 -8.917 -11.193 1.00 0.00 H new ATOM 1037 N ASP A 72 10.609 -14.498 -6.081 1.00 0.00 N ATOM 1038 CA ASP A 72 11.773 -14.910 -5.315 1.00 0.00 C ATOM 1039 C ASP A 72 11.396 -15.012 -3.836 1.00 0.00 C ATOM 1040 O ASP A 72 11.692 -14.111 -3.053 1.00 0.00 O ATOM 1041 CB ASP A 72 12.907 -13.891 -5.445 1.00 0.00 C ATOM 1042 CG ASP A 72 14.051 -14.066 -4.445 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.926 -14.914 -4.726 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.026 -13.349 -3.422 1.00 0.00 O ATOM 0 H ASP A 72 10.359 -15.123 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 72 12.107 -15.873 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.314 -13.950 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.491 -12.890 -5.327 1.00 0.00 H new ATOM 1049 N LEU A 73 10.747 -16.117 -3.499 1.00 0.00 N ATOM 1050 CA LEU A 73 10.326 -16.348 -2.127 1.00 0.00 C ATOM 1051 C LEU A 73 10.489 -17.832 -1.792 1.00 0.00 C ATOM 1052 O LEU A 73 10.264 -18.692 -2.641 1.00 0.00 O ATOM 1053 CB LEU A 73 8.907 -15.820 -1.906 1.00 0.00 C ATOM 1054 CG LEU A 73 8.616 -14.425 -2.464 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.111 -14.200 -2.620 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.272 -13.343 -1.603 1.00 0.00 C ATOM 0 H LEU A 73 10.502 -16.862 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 73 10.959 -15.793 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.205 -16.523 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.707 -15.810 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 73 9.056 -14.356 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.932 -13.201 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.701 -14.943 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.626 -14.296 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.050 -12.361 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.883 -13.401 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.351 -13.495 -1.587 1.00 0.00 H new ATOM 1068 N PRO A 74 10.888 -18.092 -0.518 1.00 0.00 N ATOM 1069 CA PRO A 74 11.084 -19.457 -0.059 1.00 0.00 C ATOM 1070 C PRO A 74 9.742 -20.152 0.182 1.00 0.00 C ATOM 1071 O PRO A 74 8.927 -19.678 0.972 1.00 0.00 O ATOM 1072 CB PRO A 74 11.924 -19.332 1.201 1.00 0.00 C ATOM 1073 CG PRO A 74 11.776 -17.890 1.659 1.00 0.00 C ATOM 1074 CD PRO A 74 11.163 -17.098 0.515 1.00 0.00 C ATOM 0 HA PRO A 74 11.589 -20.081 -0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.580 -20.023 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.968 -19.573 1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.143 -17.834 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.746 -17.475 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.251 -16.590 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.847 -16.330 0.154 1.00 0.00 H new ATOM 1082 N THR A 75 9.555 -21.265 -0.512 1.00 0.00 N ATOM 1083 CA THR A 75 8.326 -22.029 -0.383 1.00 0.00 C ATOM 1084 C THR A 75 8.186 -22.577 1.039 1.00 0.00 C ATOM 1085 O THR A 75 9.018 -23.363 1.490 1.00 0.00 O ATOM 1086 CB THR A 75 8.333 -23.120 -1.456 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.345 -22.398 -2.684 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.021 -23.906 -1.500 1.00 0.00 C ATOM 0 H THR A 75 10.234 -21.656 -1.165 1.00 0.00 H new ATOM 0 HA THR A 75 7.450 -21.400 -0.544 1.00 0.00 H new ATOM 0 HB THR A 75 9.161 -23.805 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.644 -21.713 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.079 -24.667 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.851 -24.385 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.197 -23.227 -1.718 1.00 0.00 H new ATOM 1096 N GLY A 76 7.128 -22.140 1.706 1.00 0.00 N ATOM 1097 CA GLY A 76 6.868 -22.577 3.067 1.00 0.00 C ATOM 1098 C GLY A 76 7.621 -21.706 4.075 1.00 0.00 C ATOM 1099 O GLY A 76 8.227 -22.220 5.014 1.00 0.00 O ATOM 0 H GLY A 76 6.441 -21.488 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.798 -22.531 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.170 -23.618 3.183 1.00 0.00 H new ATOM 1103 N ALA A 77 7.558 -20.403 3.846 1.00 0.00 N ATOM 1104 CA ALA A 77 8.226 -19.456 4.723 1.00 0.00 C ATOM 1105 C ALA A 77 7.232 -18.373 5.149 1.00 0.00 C ATOM 1106 O ALA A 77 6.464 -17.873 4.329 1.00 0.00 O ATOM 1107 CB ALA A 77 9.450 -18.876 4.010 1.00 0.00 C ATOM 0 H ALA A 77 7.055 -19.980 3.066 1.00 0.00 H new ATOM 0 HA ALA A 77 8.579 -19.953 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.951 -18.166 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.138 -19.682 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.133 -18.367 3.100 1.00 0.00 H new ATOM 1113 N ARG A 78 7.280 -18.043 6.431 1.00 0.00 N ATOM 1114 CA ARG A 78 6.394 -17.029 6.976 1.00 0.00 C ATOM 1115 C ARG A 78 6.901 -15.631 6.616 1.00 0.00 C ATOM 1116 O ARG A 78 7.792 -15.101 7.279 1.00 0.00 O ATOM 1117 CB ARG A 78 6.288 -17.150 8.498 1.00 0.00 C ATOM 1118 CG ARG A 78 5.320 -18.266 8.893 1.00 0.00 C ATOM 1119 CD ARG A 78 4.678 -17.980 10.252 1.00 0.00 C ATOM 1120 NE ARG A 78 3.750 -19.074 10.615 1.00 0.00 N ATOM 1121 CZ ARG A 78 2.849 -18.999 11.604 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.749 -17.880 12.335 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.048 -20.041 11.861 1.00 0.00 N ATOM 0 H ARG A 78 7.919 -18.460 7.108 1.00 0.00 H new ATOM 0 HA ARG A 78 5.407 -17.184 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.273 -17.352 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.949 -16.204 8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.544 -18.365 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.852 -19.217 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.451 -17.880 11.014 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.140 -17.033 10.217 1.00 0.00 H new ATOM 0 HE ARG A 78 3.799 -19.940 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.359 -17.086 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.063 -17.822 13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.124 -20.892 11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.362 -19.984 12.614 1.00 0.00 H new ATOM 1137 N ILE A 79 6.313 -15.074 5.568 1.00 0.00 N ATOM 1138 CA ILE A 79 6.695 -13.748 5.112 1.00 0.00 C ATOM 1139 C ILE A 79 5.499 -12.804 5.247 1.00 0.00 C ATOM 1140 O ILE A 79 4.360 -13.199 5.002 1.00 0.00 O ATOM 1141 CB ILE A 79 7.271 -13.814 3.697 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.400 -14.842 3.611 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.719 -12.430 3.223 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.746 -15.157 2.154 1.00 0.00 C ATOM 0 H ILE A 79 5.575 -15.517 5.021 1.00 0.00 H new ATOM 0 HA ILE A 79 7.492 -13.344 5.736 1.00 0.00 H new ATOM 0 HB ILE A 79 6.482 -14.146 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.283 -14.461 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.103 -15.757 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.125 -12.505 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.866 -11.752 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.486 -12.046 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.552 -15.891 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.868 -15.560 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.066 -14.245 1.651 1.00 0.00 H new ATOM 1156 N LEU A 80 5.798 -11.573 5.636 1.00 0.00 N ATOM 1157 CA LEU A 80 4.762 -10.569 5.806 1.00 0.00 C ATOM 1158 C LEU A 80 4.879 -9.528 4.690 1.00 0.00 C ATOM 1159 O LEU A 80 5.951 -8.967 4.469 1.00 0.00 O ATOM 1160 CB LEU A 80 4.821 -9.971 7.213 1.00 0.00 C ATOM 1161 CG LEU A 80 4.175 -10.803 8.322 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.654 -10.346 9.701 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.649 -10.778 8.209 1.00 0.00 C ATOM 0 H LEU A 80 6.744 -11.248 5.838 1.00 0.00 H new ATOM 0 HA LEU A 80 3.774 -11.022 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.867 -9.805 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.339 -8.994 7.192 1.00 0.00 H new ATOM 0 HG LEU A 80 4.491 -11.839 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.179 -10.954 10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.736 -10.458 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.388 -9.299 9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.215 -11.377 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.295 -9.751 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.349 -11.188 7.245 1.00 0.00 H new ATOM 1175 N PHE A 81 3.761 -9.302 4.016 1.00 0.00 N ATOM 1176 CA PHE A 81 3.724 -8.338 2.929 1.00 0.00 C ATOM 1177 C PHE A 81 3.078 -7.027 3.381 1.00 0.00 C ATOM 1178 O PHE A 81 1.976 -7.028 3.926 1.00 0.00 O ATOM 1179 CB PHE A 81 2.875 -8.953 1.815 1.00 0.00 C ATOM 1180 CG PHE A 81 3.456 -10.243 1.230 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.767 -10.298 0.876 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.660 -11.333 1.065 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.306 -11.495 0.333 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.198 -12.530 0.523 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.510 -12.585 0.168 1.00 0.00 C ATOM 0 H PHE A 81 2.874 -9.770 4.202 1.00 0.00 H new ATOM 0 HA PHE A 81 4.737 -8.116 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.878 -9.159 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.760 -8.222 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.399 -9.432 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.618 -11.288 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.348 -11.539 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.566 -13.396 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.920 -13.495 -0.245 1.00 0.00 H new ATOM 1195 N ARG A 82 3.793 -5.938 3.136 1.00 0.00 N ATOM 1196 CA ARG A 82 3.304 -4.622 3.511 1.00 0.00 C ATOM 1197 C ARG A 82 3.395 -3.663 2.322 1.00 0.00 C ATOM 1198 O ARG A 82 4.393 -3.653 1.603 1.00 0.00 O ATOM 1199 CB ARG A 82 4.105 -4.049 4.681 1.00 0.00 C ATOM 1200 CG ARG A 82 5.461 -3.518 4.210 1.00 0.00 C ATOM 1201 CD ARG A 82 6.256 -2.933 5.379 1.00 0.00 C ATOM 1202 NE ARG A 82 7.651 -2.671 4.960 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.033 -1.606 4.242 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.126 -0.696 3.858 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.321 -1.449 3.907 1.00 0.00 N ATOM 0 H ARG A 82 4.707 -5.940 2.683 1.00 0.00 H new ATOM 0 HA ARG A 82 2.263 -4.730 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.540 -3.246 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.255 -4.821 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.030 -4.324 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.311 -2.753 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.790 -2.009 5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.244 -3.625 6.221 1.00 0.00 H new ATOM 0 HE ARG A 82 8.367 -3.344 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.145 -0.814 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.417 0.115 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.012 -2.141 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.611 -0.638 3.360 1.00 0.00 H new ATOM 1219 N VAL A 83 2.339 -2.881 2.151 1.00 0.00 N ATOM 1220 CA VAL A 83 2.287 -1.922 1.061 1.00 0.00 C ATOM 1221 C VAL A 83 2.293 -0.504 1.635 1.00 0.00 C ATOM 1222 O VAL A 83 1.624 -0.230 2.630 1.00 0.00 O ATOM 1223 CB VAL A 83 1.072 -2.202 0.174 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.557 -0.915 -0.473 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.398 -3.256 -0.886 1.00 0.00 C ATOM 0 H VAL A 83 1.513 -2.892 2.749 1.00 0.00 H new ATOM 0 HA VAL A 83 3.166 -2.020 0.425 1.00 0.00 H new ATOM 0 HB VAL A 83 0.279 -2.599 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.307 -1.142 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.266 -0.208 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.344 -0.476 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.518 -3.436 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.214 -2.900 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.695 -4.184 -0.397 1.00 0.00 H new ATOM 1235 N VAL A 84 3.058 0.361 0.984 1.00 0.00 N ATOM 1236 CA VAL A 84 3.160 1.744 1.418 1.00 0.00 C ATOM 1237 C VAL A 84 3.027 2.665 0.204 1.00 0.00 C ATOM 1238 O VAL A 84 3.762 2.523 -0.772 1.00 0.00 O ATOM 1239 CB VAL A 84 4.465 1.955 2.188 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.320 1.512 3.645 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.628 1.230 1.507 1.00 0.00 C ATOM 0 H VAL A 84 3.613 0.131 0.160 1.00 0.00 H new ATOM 0 HA VAL A 84 2.350 1.991 2.104 1.00 0.00 H new ATOM 0 HB VAL A 84 4.687 3.022 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.262 1.673 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.533 2.093 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.062 0.454 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.543 1.397 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.416 0.162 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.754 1.615 0.495 1.00 0.00 H new ATOM 1251 N GLY A 85 2.083 3.590 0.304 1.00 0.00 N ATOM 1252 CA GLY A 85 1.844 4.535 -0.774 1.00 0.00 C ATOM 1253 C GLY A 85 2.912 5.630 -0.790 1.00 0.00 C ATOM 1254 O GLY A 85 3.003 6.428 0.141 1.00 0.00 O ATOM 0 H GLY A 85 1.475 3.705 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.842 4.010 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.858 4.985 -0.656 1.00 0.00 H new ATOM 1258 N VAL A 86 3.694 5.633 -1.860 1.00 0.00 N ATOM 1259 CA VAL A 86 4.753 6.616 -2.010 1.00 0.00 C ATOM 1260 C VAL A 86 4.171 7.898 -2.611 1.00 0.00 C ATOM 1261 O VAL A 86 3.096 7.875 -3.207 1.00 0.00 O ATOM 1262 CB VAL A 86 5.897 6.032 -2.842 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.716 5.033 -2.022 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.367 5.386 -4.124 1.00 0.00 C ATOM 0 H VAL A 86 3.615 4.970 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 86 5.175 6.874 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 86 6.557 6.851 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.522 4.633 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.138 5.536 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.072 4.218 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.200 4.979 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.676 4.583 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.848 6.135 -4.721 1.00 0.00 H new ATOM 1274 N ASN A 87 4.908 8.984 -2.432 1.00 0.00 N ATOM 1275 CA ASN A 87 4.479 10.273 -2.949 1.00 0.00 C ATOM 1276 C ASN A 87 5.531 11.330 -2.611 1.00 0.00 C ATOM 1277 O ASN A 87 6.553 11.020 -1.999 1.00 0.00 O ATOM 1278 CB ASN A 87 3.154 10.706 -2.318 1.00 0.00 C ATOM 1279 CG ASN A 87 3.116 10.357 -0.829 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.079 9.877 -0.253 1.00 0.00 O ATOM 1281 ND2 ASN A 87 1.955 10.625 -0.239 1.00 0.00 N ATOM 0 H ASN A 87 5.799 8.998 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 87 4.351 10.178 -4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.019 11.780 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.326 10.217 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.830 10.429 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.189 11.027 -0.780 1.00 0.00 H new ATOM 1288 N ILE A 88 5.246 12.556 -3.023 1.00 0.00 N ATOM 1289 CA ILE A 88 6.156 13.661 -2.771 1.00 0.00 C ATOM 1290 C ILE A 88 6.446 13.746 -1.272 1.00 0.00 C ATOM 1291 O ILE A 88 7.588 13.959 -0.867 1.00 0.00 O ATOM 1292 CB ILE A 88 5.602 14.957 -3.365 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.711 15.996 -3.546 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.444 15.496 -2.521 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.727 16.537 -4.977 1.00 0.00 C ATOM 0 H ILE A 88 4.398 12.809 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 88 7.110 13.491 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 88 5.204 14.736 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.563 16.817 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.676 15.547 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.068 16.418 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.644 14.757 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.795 15.698 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.524 17.273 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.899 15.717 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.769 17.007 -5.199 1.00 0.00 H new ATOM 1307 N ALA A 89 5.392 13.574 -0.487 1.00 0.00 N ATOM 1308 CA ALA A 89 5.518 13.629 0.959 1.00 0.00 C ATOM 1309 C ALA A 89 6.491 12.543 1.423 1.00 0.00 C ATOM 1310 O ALA A 89 7.167 12.702 2.438 1.00 0.00 O ATOM 1311 CB ALA A 89 4.136 13.485 1.599 1.00 0.00 C ATOM 0 H ALA A 89 4.447 13.396 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 89 5.923 14.591 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.231 13.526 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.492 14.296 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.699 12.529 1.309 1.00 0.00 H new ATOM 1317 N GLY A 90 6.530 11.462 0.657 1.00 0.00 N ATOM 1318 CA GLY A 90 7.409 10.350 0.977 1.00 0.00 C ATOM 1319 C GLY A 90 6.646 9.024 0.954 1.00 0.00 C ATOM 1320 O GLY A 90 6.338 8.500 -0.115 1.00 0.00 O ATOM 0 H GLY A 90 5.967 11.333 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.230 10.313 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.851 10.503 1.962 1.00 0.00 H new ATOM 1324 N ARG A 91 6.363 8.521 2.146 1.00 0.00 N ATOM 1325 CA ARG A 91 5.642 7.266 2.277 1.00 0.00 C ATOM 1326 C ARG A 91 4.542 7.393 3.333 1.00 0.00 C ATOM 1327 O ARG A 91 4.522 8.355 4.100 1.00 0.00 O ATOM 1328 CB ARG A 91 6.585 6.126 2.667 1.00 0.00 C ATOM 1329 CG ARG A 91 7.411 6.497 3.901 1.00 0.00 C ATOM 1330 CD ARG A 91 7.275 5.433 4.992 1.00 0.00 C ATOM 1331 NE ARG A 91 8.351 5.595 5.995 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.373 6.560 6.924 1.00 0.00 C ATOM 1333 NH1 ARG A 91 7.377 7.454 6.985 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.390 6.631 7.794 1.00 0.00 N ATOM 0 H ARG A 91 6.620 8.960 3.030 1.00 0.00 H new ATOM 0 HA ARG A 91 5.196 7.038 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.007 5.224 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.250 5.898 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.459 6.605 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.082 7.462 4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.301 5.518 5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.326 4.438 4.549 1.00 0.00 H new ATOM 0 HE ARG A 91 9.124 4.930 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.602 7.400 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.394 8.189 7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.148 5.950 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.406 7.366 8.501 1.00 0.00 H new ATOM 1348 N SER A 92 3.655 6.410 3.338 1.00 0.00 N ATOM 1349 CA SER A 92 2.555 6.400 4.288 1.00 0.00 C ATOM 1350 C SER A 92 2.595 5.118 5.122 1.00 0.00 C ATOM 1351 O SER A 92 3.427 4.243 4.883 1.00 0.00 O ATOM 1352 CB SER A 92 1.208 6.524 3.572 1.00 0.00 C ATOM 1353 OG SER A 92 0.911 5.372 2.789 1.00 0.00 O ATOM 0 H SER A 92 3.675 5.615 2.700 1.00 0.00 H new ATOM 0 HA SER A 92 2.666 7.260 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.419 6.675 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.218 7.405 2.931 1.00 0.00 H new ATOM 0 HG SER A 92 0.360 5.631 2.021 1.00 0.00 H new ATOM 1359 N GLU A 93 1.687 5.047 6.084 1.00 0.00 N ATOM 1360 CA GLU A 93 1.608 3.887 6.955 1.00 0.00 C ATOM 1361 C GLU A 93 1.568 2.602 6.125 1.00 0.00 C ATOM 1362 O GLU A 93 0.817 2.508 5.156 1.00 0.00 O ATOM 1363 CB GLU A 93 0.395 3.979 7.883 1.00 0.00 C ATOM 1364 CG GLU A 93 0.711 4.828 9.116 1.00 0.00 C ATOM 1365 CD GLU A 93 0.202 4.153 10.391 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -1.034 4.142 10.573 1.00 0.00 O ATOM 1367 OE2 GLU A 93 1.062 3.664 11.156 1.00 0.00 O ATOM 0 H GLU A 93 0.999 5.775 6.279 1.00 0.00 H new ATOM 0 HA GLU A 93 2.501 3.865 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.447 4.413 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.093 2.979 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.787 4.985 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.252 5.811 9.012 1.00 0.00 H new ATOM 1374 N PRO A 94 2.406 1.618 6.548 1.00 0.00 N ATOM 1375 CA PRO A 94 2.473 0.343 5.855 1.00 0.00 C ATOM 1376 C PRO A 94 1.249 -0.518 6.171 1.00 0.00 C ATOM 1377 O PRO A 94 1.036 -0.903 7.320 1.00 0.00 O ATOM 1378 CB PRO A 94 3.777 -0.288 6.316 1.00 0.00 C ATOM 1379 CG PRO A 94 4.162 0.439 7.594 1.00 0.00 C ATOM 1380 CD PRO A 94 3.310 1.693 7.692 1.00 0.00 C ATOM 0 HA PRO A 94 2.460 0.453 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.652 -1.356 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.552 -0.182 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.000 -0.201 8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.221 0.697 7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.758 1.724 8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.924 2.593 7.653 1.00 0.00 H new ATOM 1388 N ALA A 95 0.475 -0.795 5.131 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.723 -1.603 5.284 1.00 0.00 C ATOM 1390 C ALA A 95 -0.328 -3.078 5.381 1.00 0.00 C ATOM 1391 O ALA A 95 -0.794 -3.902 4.594 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.675 -1.330 4.118 1.00 0.00 C ATOM 0 H ALA A 95 0.654 -0.474 4.180 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.249 -1.341 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.574 -1.936 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.948 -0.275 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.183 -1.585 3.179 1.00 0.00 H new ATOM 1398 N THR A 96 0.525 -3.367 6.352 1.00 0.00 N ATOM 1399 CA THR A 96 0.987 -4.729 6.562 1.00 0.00 C ATOM 1400 C THR A 96 -0.197 -5.698 6.573 1.00 0.00 C ATOM 1401 O THR A 96 -1.332 -5.294 6.819 1.00 0.00 O ATOM 1402 CB THR A 96 1.807 -4.756 7.854 1.00 0.00 C ATOM 1403 OG1 THR A 96 3.003 -4.057 7.521 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.285 -6.164 8.214 1.00 0.00 C ATOM 0 H THR A 96 0.909 -2.681 7.003 1.00 0.00 H new ATOM 0 HA THR A 96 1.629 -5.059 5.746 1.00 0.00 H new ATOM 0 HB THR A 96 1.209 -4.356 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.592 -4.026 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.862 -6.127 9.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.423 -6.817 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.911 -6.552 7.411 1.00 0.00 H new ATOM 1412 N LEU A 97 0.109 -6.958 6.303 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.915 -7.988 6.278 1.00 0.00 C ATOM 1414 C LEU A 97 -1.243 -8.410 7.712 1.00 0.00 C ATOM 1415 O LEU A 97 -0.361 -8.448 8.569 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.486 -9.149 5.379 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.780 -8.986 3.886 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.171 -10.134 3.079 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.282 -8.842 3.636 1.00 0.00 C ATOM 0 H LEU A 97 1.052 -7.289 6.100 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.835 -7.600 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.586 -9.302 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.980 -10.055 5.729 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.307 -8.066 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.395 -9.994 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.909 -10.147 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.593 -11.080 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.464 -8.728 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.798 -9.731 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.656 -7.965 4.164 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.514 -8.715 7.929 1.00 0.00 N ATOM 1432 CA LEU A 98 -2.969 -9.132 9.245 1.00 0.00 C ATOM 1433 C LEU A 98 -2.385 -10.509 9.569 1.00 0.00 C ATOM 1434 O LEU A 98 -2.357 -10.918 10.728 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.496 -9.077 9.326 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.117 -7.679 9.323 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.394 -7.648 8.481 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.359 -7.183 10.750 1.00 0.00 C ATOM 0 H LEU A 98 -3.243 -8.682 7.216 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.607 -8.444 10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.905 -9.637 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.811 -9.591 10.234 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.409 -6.992 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.815 -6.643 8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.160 -7.928 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.118 -8.351 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.801 -6.187 10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.037 -7.865 11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.411 -7.143 11.287 1.00 0.00 H new ATOM 1450 N GLN A 99 -1.934 -11.186 8.523 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.353 -12.508 8.682 1.00 0.00 C ATOM 1452 C GLN A 99 -0.277 -12.746 7.620 1.00 0.00 C ATOM 1453 O GLN A 99 -0.360 -12.211 6.516 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.431 -13.592 8.622 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.347 -13.522 9.845 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.097 -14.841 10.045 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.070 -15.732 9.212 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.766 -14.914 11.192 1.00 0.00 N ATOM 0 H GLN A 99 -1.959 -10.844 7.562 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.885 -12.562 9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.021 -13.473 7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.962 -14.574 8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.757 -13.297 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.062 -12.708 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.746 -14.131 11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.299 -15.753 11.419 1.00 0.00 H new ATOM 1467 N PRO A 100 0.736 -13.570 8.003 1.00 0.00 N ATOM 1468 CA PRO A 100 1.827 -13.885 7.097 1.00 0.00 C ATOM 1469 C PRO A 100 1.378 -14.878 6.023 1.00 0.00 C ATOM 1470 O PRO A 100 0.237 -15.336 6.034 1.00 0.00 O ATOM 1471 CB PRO A 100 2.932 -14.431 7.986 1.00 0.00 C ATOM 1472 CG PRO A 100 2.258 -14.836 9.287 1.00 0.00 C ATOM 1473 CD PRO A 100 0.868 -14.220 9.303 1.00 0.00 C ATOM 0 HA PRO A 100 2.176 -13.015 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.424 -15.284 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.700 -13.678 8.162 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.195 -15.922 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.839 -14.490 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.100 -14.980 9.446 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.762 -13.503 10.117 1.00 0.00 H new ATOM 1481 N VAL A 101 2.300 -15.181 5.120 1.00 0.00 N ATOM 1482 CA VAL A 101 2.014 -16.111 4.042 1.00 0.00 C ATOM 1483 C VAL A 101 3.029 -17.255 4.078 1.00 0.00 C ATOM 1484 O VAL A 101 4.229 -17.021 4.208 1.00 0.00 O ATOM 1485 CB VAL A 101 1.996 -15.370 2.703 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.007 -16.355 1.532 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.794 -14.427 2.615 1.00 0.00 C ATOM 0 H VAL A 101 3.245 -14.798 5.114 1.00 0.00 H new ATOM 0 HA VAL A 101 1.025 -16.550 4.169 1.00 0.00 H new ATOM 0 HB VAL A 101 2.901 -14.766 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.994 -15.803 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.907 -16.968 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.128 -16.997 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.805 -13.913 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.127 -15.002 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.847 -13.694 3.420 1.00 0.00 H new ATOM 1497 N THR A 102 2.510 -18.468 3.960 1.00 0.00 N ATOM 1498 CA THR A 102 3.356 -19.650 3.977 1.00 0.00 C ATOM 1499 C THR A 102 4.086 -19.802 2.642 1.00 0.00 C ATOM 1500 O THR A 102 5.107 -20.484 2.562 1.00 0.00 O ATOM 1501 CB THR A 102 2.480 -20.853 4.332 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.735 -21.071 5.717 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.956 -22.142 3.659 1.00 0.00 C ATOM 0 H THR A 102 1.514 -18.658 3.852 1.00 0.00 H new ATOM 0 HA THR A 102 4.138 -19.566 4.731 1.00 0.00 H new ATOM 0 HB THR A 102 1.449 -20.650 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.205 -21.833 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.300 -22.965 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.932 -22.017 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.975 -22.363 3.977 1.00 0.00 H new ATOM 1511 N ILE A 103 3.534 -19.156 1.625 1.00 0.00 N ATOM 1512 CA ILE A 103 4.121 -19.212 0.296 1.00 0.00 C ATOM 1513 C ILE A 103 4.085 -20.654 -0.212 1.00 0.00 C ATOM 1514 O ILE A 103 4.914 -21.475 0.178 1.00 0.00 O ATOM 1515 CB ILE A 103 5.521 -18.597 0.303 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.490 -17.167 0.846 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.158 -18.669 -1.087 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.843 -16.212 -0.161 1.00 0.00 C ATOM 0 H ILE A 103 2.687 -18.592 1.694 1.00 0.00 H new ATOM 0 HA ILE A 103 3.538 -18.613 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 103 6.148 -19.182 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.936 -17.142 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.505 -16.836 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.153 -18.225 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.235 -19.711 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.540 -18.123 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.833 -15.202 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.414 -16.221 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.820 -16.532 -0.361 1.00 0.00 H new ATOM 1530 N ARG A 104 3.115 -20.920 -1.076 1.00 0.00 N ATOM 1531 CA ARG A 104 2.961 -22.249 -1.642 1.00 0.00 C ATOM 1532 C ARG A 104 1.795 -22.271 -2.633 1.00 0.00 C ATOM 1533 O ARG A 104 0.810 -21.556 -2.454 1.00 0.00 O ATOM 1534 CB ARG A 104 2.711 -23.288 -0.547 1.00 0.00 C ATOM 1535 CG ARG A 104 3.942 -24.172 -0.339 1.00 0.00 C ATOM 1536 CD ARG A 104 3.541 -25.561 0.163 1.00 0.00 C ATOM 1537 NE ARG A 104 4.440 -25.980 1.261 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.542 -27.239 1.710 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.800 -28.209 1.158 1.00 0.00 N ATOM 1540 NH2 ARG A 104 5.384 -27.528 2.711 1.00 0.00 N ATOM 0 H ARG A 104 2.429 -20.237 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 104 3.887 -22.499 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.459 -22.785 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.855 -23.907 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.490 -24.264 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.615 -23.702 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.509 -25.547 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.591 -26.281 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 104 5.018 -25.266 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.158 -27.989 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.877 -29.167 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.948 -26.790 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.461 -28.486 3.052 1.00 0.00 H new ATOM 1554 N GLU A 105 1.945 -23.100 -3.656 1.00 0.00 N ATOM 1555 CA GLU A 105 0.917 -23.225 -4.675 1.00 0.00 C ATOM 1556 C GLU A 105 0.004 -24.413 -4.365 1.00 0.00 C ATOM 1557 O GLU A 105 0.215 -25.123 -3.383 1.00 0.00 O ATOM 1558 CB GLU A 105 1.538 -23.360 -6.066 1.00 0.00 C ATOM 1559 CG GLU A 105 0.665 -22.682 -7.125 1.00 0.00 C ATOM 1560 CD GLU A 105 0.390 -23.628 -8.295 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -0.605 -24.378 -8.197 1.00 0.00 O ATOM 1562 OE2 GLU A 105 1.181 -23.580 -9.262 1.00 0.00 O ATOM 0 H GLU A 105 2.763 -23.692 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 105 0.314 -22.317 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.532 -22.913 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.661 -24.415 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.278 -22.367 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.161 -21.782 -7.489 1.00 0.00 H new