USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 826 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 67 GLN : amide:sc= -1.63 X(o=-1.5,f=-1.4) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.123 USER MOD Set 2.1: A 25 THR OG1 : rot -38:sc= 0.32 USER MOD Set 2.2: A 37 ASN : amide:sc= -0.146 K(o=0.74,f=-2.7) USER MOD Set 2.3: A 41 SER OG : rot -141:sc= 0.569 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -19:sc= -1.42 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 17 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.038) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.965 X(o=-0.96,f=-0.59) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 67:sc= -0.132 USER MOD Single : A 43 TYR OH : rot -170:sc= -2.31 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -47:sc= 0.283 USER MOD Single : A 49 THR OG1 : rot -120:sc= -0.877 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 75 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.065) USER MOD Single : A 76 MET CE :methyl -169:sc= -2.63 (180deg=-3.04!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 98 ASN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0.382 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 142:sc= -2.54 (180deg=-4.93!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 46:sc= -1.85 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.565 6.968 -8.098 1.00 0.00 N ATOM 26 CA ILE A 3 18.238 6.414 -9.266 1.00 0.00 C ATOM 27 C ILE A 3 19.111 5.224 -8.884 1.00 0.00 C ATOM 28 O ILE A 3 19.480 5.058 -7.721 1.00 0.00 O ATOM 29 CB ILE A 3 19.109 7.471 -9.968 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.342 8.788 -10.104 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.555 6.969 -11.333 1.00 0.00 C ATOM 32 CD1 ILE A 3 19.176 9.919 -10.662 1.00 0.00 C ATOM 0 HA ILE A 3 17.458 6.084 -9.952 1.00 0.00 H new ATOM 0 HB ILE A 3 19.996 7.650 -9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.479 8.631 -10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.959 9.078 -9.126 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.170 7.728 -11.817 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.135 6.054 -11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.680 6.765 -11.949 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.567 10.821 -10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.025 10.104 -10.004 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.538 9.649 -11.654 1.00 0.00 H new ATOM 44 N LYS A 4 19.441 4.398 -9.871 1.00 0.00 N ATOM 45 CA LYS A 4 20.274 3.224 -9.640 1.00 0.00 C ATOM 46 C LYS A 4 21.633 3.623 -9.074 1.00 0.00 C ATOM 47 O LYS A 4 21.830 4.763 -8.654 1.00 0.00 O ATOM 48 CB LYS A 4 20.463 2.443 -10.943 1.00 0.00 C ATOM 49 CG LYS A 4 21.234 3.209 -12.005 1.00 0.00 C ATOM 50 CD LYS A 4 21.947 2.269 -12.962 1.00 0.00 C ATOM 51 CE LYS A 4 23.364 1.970 -12.497 1.00 0.00 C ATOM 52 NZ LYS A 4 23.578 0.513 -12.275 1.00 0.00 N ATOM 0 H LYS A 4 19.144 4.520 -10.839 1.00 0.00 H new ATOM 0 HA LYS A 4 19.769 2.589 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.987 1.512 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.485 2.173 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.550 3.848 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.962 3.864 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.386 1.338 -13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.976 2.714 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.074 2.333 -13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.565 2.512 -11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.555 0.350 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.917 0.172 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.411 -0.002 -13.163 1.00 0.00 H new ATOM 66 N GLY A 5 22.567 2.677 -9.065 1.00 0.00 N ATOM 67 CA GLY A 5 23.896 2.952 -8.549 1.00 0.00 C ATOM 68 C GLY A 5 24.615 4.026 -9.340 1.00 0.00 C ATOM 69 O GLY A 5 25.277 3.736 -10.337 1.00 0.00 O ATOM 0 H GLY A 5 22.428 1.726 -9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.821 3.262 -7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.486 2.036 -8.567 1.00 0.00 H new ATOM 73 N VAL A 6 24.484 5.273 -8.897 1.00 0.00 N ATOM 74 CA VAL A 6 25.126 6.395 -9.571 1.00 0.00 C ATOM 75 C VAL A 6 24.779 6.416 -11.056 1.00 0.00 C ATOM 76 O VAL A 6 25.463 5.800 -11.874 1.00 0.00 O ATOM 77 CB VAL A 6 26.657 6.343 -9.414 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.319 7.413 -10.267 1.00 0.00 C ATOM 79 CG2 VAL A 6 27.047 6.498 -7.952 1.00 0.00 C ATOM 0 H VAL A 6 23.939 5.531 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 6 24.751 7.303 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 6 27.007 5.370 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.401 7.360 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.066 7.251 -11.315 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.966 8.396 -9.956 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.132 6.459 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.685 7.456 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.604 5.690 -7.370 1.00 0.00 H new ATOM 89 N THR A 7 23.711 7.130 -11.398 1.00 0.00 N ATOM 90 CA THR A 7 23.272 7.231 -12.784 1.00 0.00 C ATOM 91 C THR A 7 22.323 8.408 -12.976 1.00 0.00 C ATOM 92 O THR A 7 21.635 8.822 -12.042 1.00 0.00 O ATOM 93 CB THR A 7 22.571 5.940 -13.248 1.00 0.00 C ATOM 94 OG1 THR A 7 23.414 4.809 -13.000 1.00 0.00 O ATOM 95 CG2 THR A 7 22.231 6.011 -14.729 1.00 0.00 C ATOM 0 H THR A 7 23.134 7.647 -10.734 1.00 0.00 H new ATOM 0 HA THR A 7 24.166 7.387 -13.387 1.00 0.00 H new ATOM 0 HB THR A 7 21.644 5.833 -12.684 1.00 0.00 H new ATOM 0 HG1 THR A 7 24.339 5.110 -12.884 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.737 5.088 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.566 6.856 -14.910 1.00 0.00 H new ATOM 0 HG23 THR A 7 23.146 6.140 -15.307 1.00 0.00 H new ATOM 103 N PHE A 8 22.289 8.944 -14.192 1.00 0.00 N ATOM 104 CA PHE A 8 21.423 10.074 -14.505 1.00 0.00 C ATOM 105 C PHE A 8 21.253 10.227 -16.014 1.00 0.00 C ATOM 106 O PHE A 8 22.232 10.286 -16.757 1.00 0.00 O ATOM 107 CB PHE A 8 21.996 11.363 -13.912 1.00 0.00 C ATOM 108 CG PHE A 8 23.322 11.755 -14.499 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.483 11.101 -14.119 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.407 12.778 -15.429 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.705 11.459 -14.657 1.00 0.00 C ATOM 112 CE2 PHE A 8 24.626 13.140 -15.971 1.00 0.00 C ATOM 113 CZ PHE A 8 25.776 12.481 -15.584 1.00 0.00 C ATOM 0 H PHE A 8 22.851 8.614 -14.976 1.00 0.00 H new ATOM 0 HA PHE A 8 20.445 9.883 -14.064 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.284 12.174 -14.069 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.107 11.240 -12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.433 10.302 -13.394 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.511 13.298 -15.734 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.603 10.941 -14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.679 13.938 -16.697 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.729 12.764 -16.005 1.00 0.00 H new ATOM 123 N GLY A 9 20.002 10.291 -16.459 1.00 0.00 N ATOM 124 CA GLY A 9 19.725 10.435 -17.877 1.00 0.00 C ATOM 125 C GLY A 9 20.464 9.414 -18.719 1.00 0.00 C ATOM 126 O GLY A 9 21.423 9.750 -19.412 1.00 0.00 O ATOM 0 H GLY A 9 19.175 10.246 -15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.653 10.334 -18.047 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.005 11.438 -18.199 1.00 0.00 H new ATOM 130 N GLU A 10 20.017 8.163 -18.657 1.00 0.00 N ATOM 131 CA GLU A 10 20.645 7.090 -19.418 1.00 0.00 C ATOM 132 C GLU A 10 19.732 6.616 -20.545 1.00 0.00 C ATOM 133 O GLU A 10 20.200 6.124 -21.572 1.00 0.00 O ATOM 134 CB GLU A 10 20.990 5.916 -18.499 1.00 0.00 C ATOM 135 CG GLU A 10 22.408 5.964 -17.956 1.00 0.00 C ATOM 136 CD GLU A 10 23.451 5.704 -19.026 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.317 4.698 -19.753 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.402 6.507 -19.135 1.00 0.00 O ATOM 0 H GLU A 10 19.223 7.869 -18.088 1.00 0.00 H new ATOM 0 HA GLU A 10 21.563 7.480 -19.857 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.290 5.902 -17.663 1.00 0.00 H new ATOM 0 HB3 GLU A 10 20.851 4.984 -19.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.589 6.941 -17.508 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.515 5.224 -17.162 1.00 0.00 H new ATOM 145 N ASP A 11 18.428 6.769 -20.345 1.00 0.00 N ATOM 146 CA ASP A 11 17.448 6.357 -21.344 1.00 0.00 C ATOM 147 C ASP A 11 16.050 6.832 -20.962 1.00 0.00 C ATOM 148 O ASP A 11 15.438 7.633 -21.670 1.00 0.00 O ATOM 149 CB ASP A 11 17.458 4.836 -21.503 1.00 0.00 C ATOM 150 CG ASP A 11 17.036 4.396 -22.891 1.00 0.00 C ATOM 151 OD1 ASP A 11 15.910 4.742 -23.307 1.00 0.00 O ATOM 152 OD2 ASP A 11 17.832 3.707 -23.562 1.00 0.00 O ATOM 0 H ASP A 11 18.025 7.175 -19.501 1.00 0.00 H new ATOM 0 HA ASP A 11 17.721 6.815 -22.295 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.459 4.458 -21.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.789 4.392 -20.765 1.00 0.00 H new ATOM 157 N THR A 12 15.548 6.333 -19.836 1.00 0.00 N ATOM 158 CA THR A 12 14.221 6.704 -19.360 1.00 0.00 C ATOM 159 C THR A 12 13.928 6.073 -18.004 1.00 0.00 C ATOM 160 O THR A 12 14.753 5.343 -17.456 1.00 0.00 O ATOM 161 CB THR A 12 13.127 6.280 -20.359 1.00 0.00 C ATOM 162 OG1 THR A 12 11.873 6.863 -19.988 1.00 0.00 O ATOM 163 CG2 THR A 12 12.994 4.765 -20.404 1.00 0.00 C ATOM 0 H THR A 12 16.041 5.671 -19.237 1.00 0.00 H new ATOM 0 HA THR A 12 14.212 7.790 -19.262 1.00 0.00 H new ATOM 0 HB THR A 12 13.413 6.634 -21.350 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.183 6.590 -20.629 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.216 4.489 -21.116 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.942 4.326 -20.714 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.729 4.394 -19.414 1.00 0.00 H new ATOM 171 N VAL A 13 12.746 6.359 -17.467 1.00 0.00 N ATOM 172 CA VAL A 13 12.342 5.818 -16.175 1.00 0.00 C ATOM 173 C VAL A 13 11.723 4.434 -16.328 1.00 0.00 C ATOM 174 O VAL A 13 11.334 4.034 -17.425 1.00 0.00 O ATOM 175 CB VAL A 13 11.334 6.744 -15.469 1.00 0.00 C ATOM 176 CG1 VAL A 13 11.370 6.526 -13.964 1.00 0.00 C ATOM 177 CG2 VAL A 13 11.616 8.199 -15.812 1.00 0.00 C ATOM 0 H VAL A 13 12.051 6.963 -17.907 1.00 0.00 H new ATOM 0 HA VAL A 13 13.244 5.744 -15.567 1.00 0.00 H new ATOM 0 HB VAL A 13 10.333 6.498 -15.823 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.651 7.189 -13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.114 5.490 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.370 6.742 -13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.894 8.839 -15.305 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.623 8.460 -15.488 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.533 8.342 -16.889 1.00 0.00 H new ATOM 187 N TRP A 14 11.635 3.706 -15.220 1.00 0.00 N ATOM 188 CA TRP A 14 11.062 2.365 -15.231 1.00 0.00 C ATOM 189 C TRP A 14 11.869 1.435 -16.131 1.00 0.00 C ATOM 190 O TRP A 14 11.390 0.374 -16.529 1.00 0.00 O ATOM 191 CB TRP A 14 9.607 2.413 -15.700 1.00 0.00 C ATOM 192 CG TRP A 14 8.682 3.041 -14.702 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.640 4.357 -14.339 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.667 2.380 -13.940 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.660 4.553 -13.396 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.048 3.356 -13.135 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.219 1.058 -13.859 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.007 3.050 -12.262 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.186 0.756 -12.992 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.589 1.749 -12.203 1.00 0.00 C ATOM 0 H TRP A 14 11.953 4.022 -14.304 1.00 0.00 H new ATOM 0 HA TRP A 14 11.095 1.975 -14.214 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.552 2.969 -16.636 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.267 1.399 -15.912 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.282 5.130 -14.735 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.426 5.445 -12.961 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.672 0.286 -14.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.546 3.813 -11.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.833 -0.262 -12.921 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.783 1.482 -11.535 1.00 0.00 H new ATOM 211 N GLU A 15 13.095 1.842 -16.447 1.00 0.00 N ATOM 212 CA GLU A 15 13.966 1.044 -17.301 1.00 0.00 C ATOM 213 C GLU A 15 15.416 1.131 -16.832 1.00 0.00 C ATOM 214 O GLU A 15 16.156 0.149 -16.882 1.00 0.00 O ATOM 215 CB GLU A 15 13.861 1.512 -18.754 1.00 0.00 C ATOM 216 CG GLU A 15 12.671 0.926 -19.497 1.00 0.00 C ATOM 217 CD GLU A 15 12.864 0.929 -21.001 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.253 1.983 -21.547 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.627 -0.122 -21.632 1.00 0.00 O ATOM 0 H GLU A 15 13.506 2.718 -16.125 1.00 0.00 H new ATOM 0 HA GLU A 15 13.642 0.005 -17.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.791 2.600 -18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.776 1.243 -19.281 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.503 -0.096 -19.158 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.776 1.496 -19.248 1.00 0.00 H new ATOM 226 N VAL A 16 15.814 2.314 -16.376 1.00 0.00 N ATOM 227 CA VAL A 16 17.174 2.531 -15.896 1.00 0.00 C ATOM 228 C VAL A 16 17.177 3.007 -14.448 1.00 0.00 C ATOM 229 O VAL A 16 18.072 2.667 -13.675 1.00 0.00 O ATOM 230 CB VAL A 16 17.918 3.561 -16.766 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.423 3.373 -16.648 1.00 0.00 C ATOM 232 CG2 VAL A 16 17.471 3.456 -18.216 1.00 0.00 C ATOM 0 H VAL A 16 15.214 3.137 -16.329 1.00 0.00 H new ATOM 0 HA VAL A 16 17.689 1.573 -15.960 1.00 0.00 H new ATOM 0 HB VAL A 16 17.672 4.560 -16.406 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.932 4.110 -17.270 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.726 3.504 -15.609 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.692 2.370 -16.980 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.007 4.191 -18.816 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.685 2.455 -18.591 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.400 3.646 -18.281 1.00 0.00 H new ATOM 242 N GLN A 17 16.170 3.797 -14.089 1.00 0.00 N ATOM 243 CA GLN A 17 16.057 4.320 -12.732 1.00 0.00 C ATOM 244 C GLN A 17 16.178 3.200 -11.705 1.00 0.00 C ATOM 245 O GLN A 17 16.846 3.351 -10.683 1.00 0.00 O ATOM 246 CB GLN A 17 14.725 5.050 -12.554 1.00 0.00 C ATOM 247 CG GLN A 17 14.229 5.071 -11.117 1.00 0.00 C ATOM 248 CD GLN A 17 13.107 6.067 -10.901 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.347 7.224 -10.555 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.873 5.621 -11.104 1.00 0.00 N ATOM 0 H GLN A 17 15.422 4.089 -14.718 1.00 0.00 H new ATOM 0 HA GLN A 17 16.873 5.024 -12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 17 14.832 6.076 -12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 17 13.972 4.574 -13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.883 4.075 -10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.059 5.315 -10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.721 4.654 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.077 6.246 -10.974 1.00 0.00 H new ATOM 259 N GLY A 18 15.525 2.075 -11.983 1.00 0.00 N ATOM 260 CA GLY A 18 15.572 0.946 -11.072 1.00 0.00 C ATOM 261 C GLY A 18 14.573 1.072 -9.940 1.00 0.00 C ATOM 262 O GLY A 18 14.849 0.667 -8.811 1.00 0.00 O ATOM 0 H GLY A 18 14.965 1.926 -12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.375 0.028 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.576 0.859 -10.658 1.00 0.00 H new ATOM 266 N TYR A 19 13.409 1.637 -10.241 1.00 0.00 N ATOM 267 CA TYR A 19 12.366 1.820 -9.239 1.00 0.00 C ATOM 268 C TYR A 19 10.992 1.920 -9.894 1.00 0.00 C ATOM 269 O TYR A 19 10.871 1.889 -11.119 1.00 0.00 O ATOM 270 CB TYR A 19 12.640 3.076 -8.410 1.00 0.00 C ATOM 271 CG TYR A 19 13.462 2.814 -7.168 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.868 2.343 -6.004 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.833 3.040 -7.159 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.615 2.103 -4.867 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.588 2.801 -6.027 1.00 0.00 C ATOM 276 CZ TYR A 19 14.975 2.333 -4.883 1.00 0.00 C ATOM 277 OH TYR A 19 15.723 2.096 -3.753 1.00 0.00 O ATOM 0 H TYR A 19 13.164 1.976 -11.171 1.00 0.00 H new ATOM 0 HA TYR A 19 12.373 0.950 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.159 3.806 -9.032 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.690 3.524 -8.119 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.804 2.161 -5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.316 3.409 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.137 1.737 -3.970 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.653 2.980 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 19 16.663 2.308 -3.933 1.00 0.00 H new ATOM 287 N LYS A 20 9.957 2.040 -9.069 1.00 0.00 N ATOM 288 CA LYS A 20 8.590 2.146 -9.565 1.00 0.00 C ATOM 289 C LYS A 20 7.758 3.062 -8.674 1.00 0.00 C ATOM 290 O LYS A 20 8.272 3.657 -7.727 1.00 0.00 O ATOM 291 CB LYS A 20 7.943 0.761 -9.637 1.00 0.00 C ATOM 292 CG LYS A 20 8.412 -0.069 -10.819 1.00 0.00 C ATOM 293 CD LYS A 20 9.694 -0.821 -10.499 1.00 0.00 C ATOM 294 CE LYS A 20 9.569 -2.300 -10.829 1.00 0.00 C ATOM 295 NZ LYS A 20 10.211 -2.633 -12.131 1.00 0.00 N ATOM 0 H LYS A 20 10.039 2.066 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 20 8.625 2.576 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.159 0.220 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.861 0.877 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.633 -0.778 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.575 0.581 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.521 -0.390 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.933 -0.702 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.029 -2.889 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.515 -2.577 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.105 -3.650 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.755 -2.090 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.222 -2.392 -12.091 1.00 0.00 H new ATOM 309 N ASN A 21 6.470 3.169 -8.982 1.00 0.00 N ATOM 310 CA ASN A 21 5.566 4.013 -8.208 1.00 0.00 C ATOM 311 C ASN A 21 4.175 3.391 -8.130 1.00 0.00 C ATOM 312 O ASN A 21 3.434 3.374 -9.113 1.00 0.00 O ATOM 313 CB ASN A 21 5.479 5.408 -8.830 1.00 0.00 C ATOM 314 CG ASN A 21 6.845 6.001 -9.114 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.372 6.783 -8.323 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.426 5.630 -10.249 1.00 0.00 N ATOM 0 H ASN A 21 6.028 2.682 -9.762 1.00 0.00 H new ATOM 0 HA ASN A 21 5.964 4.098 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.909 5.354 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.932 6.069 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.346 5.996 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.952 4.979 -10.875 1.00 0.00 H new ATOM 323 N VAL A 22 3.826 2.880 -6.953 1.00 0.00 N ATOM 324 CA VAL A 22 2.524 2.259 -6.745 1.00 0.00 C ATOM 325 C VAL A 22 1.827 2.841 -5.520 1.00 0.00 C ATOM 326 O VAL A 22 2.464 3.117 -4.503 1.00 0.00 O ATOM 327 CB VAL A 22 2.651 0.733 -6.574 1.00 0.00 C ATOM 328 CG1 VAL A 22 3.585 0.401 -5.420 1.00 0.00 C ATOM 329 CG2 VAL A 22 1.282 0.106 -6.360 1.00 0.00 C ATOM 0 H VAL A 22 4.427 2.884 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 22 1.927 2.469 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 22 3.078 0.316 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.662 -0.681 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.572 0.818 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.190 0.828 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.390 -0.972 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.826 0.526 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.648 0.314 -7.222 1.00 0.00 H new ATOM 339 N ARG A 23 0.514 3.024 -5.624 1.00 0.00 N ATOM 340 CA ARG A 23 -0.270 3.573 -4.525 1.00 0.00 C ATOM 341 C ARG A 23 -1.452 2.668 -4.195 1.00 0.00 C ATOM 342 O ARG A 23 -1.995 1.994 -5.072 1.00 0.00 O ATOM 343 CB ARG A 23 -0.770 4.975 -4.879 1.00 0.00 C ATOM 344 CG ARG A 23 -1.629 5.606 -3.795 1.00 0.00 C ATOM 345 CD ARG A 23 -1.259 7.064 -3.570 1.00 0.00 C ATOM 346 NE ARG A 23 -2.416 7.870 -3.190 1.00 0.00 N ATOM 347 CZ ARG A 23 -2.455 9.194 -3.291 1.00 0.00 C ATOM 348 NH1 ARG A 23 -1.406 9.857 -3.758 1.00 0.00 N ATOM 349 NH2 ARG A 23 -3.544 9.857 -2.924 1.00 0.00 N ATOM 0 H ARG A 23 -0.028 2.800 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 23 0.374 3.634 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.088 5.619 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.345 4.924 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.680 5.535 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.509 5.051 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.500 7.129 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.817 7.470 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.240 7.390 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.567 9.350 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.438 10.874 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.353 9.350 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.573 10.874 -3.002 1.00 0.00 H new ATOM 363 N ILE A 24 -1.846 2.656 -2.926 1.00 0.00 N ATOM 364 CA ILE A 24 -2.964 1.833 -2.480 1.00 0.00 C ATOM 365 C ILE A 24 -4.198 2.686 -2.206 1.00 0.00 C ATOM 366 O ILE A 24 -4.140 3.660 -1.455 1.00 0.00 O ATOM 367 CB ILE A 24 -2.608 1.041 -1.208 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.481 0.048 -1.498 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.835 0.317 -0.675 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.893 -1.082 -2.416 1.00 0.00 C ATOM 0 H ILE A 24 -1.407 3.207 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.181 1.131 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.263 1.740 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.643 0.582 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.125 -0.371 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.568 -0.238 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.611 1.044 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.207 -0.374 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.045 -1.747 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.711 -1.641 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.221 -0.673 -3.372 1.00 0.00 H new ATOM 382 N THR A 25 -5.317 2.311 -2.820 1.00 0.00 N ATOM 383 CA THR A 25 -6.566 3.040 -2.642 1.00 0.00 C ATOM 384 C THR A 25 -7.762 2.189 -3.053 1.00 0.00 C ATOM 385 O THR A 25 -8.278 2.321 -4.163 1.00 0.00 O ATOM 386 CB THR A 25 -6.575 4.347 -3.458 1.00 0.00 C ATOM 387 OG1 THR A 25 -5.488 5.185 -3.053 1.00 0.00 O ATOM 388 CG2 THR A 25 -7.890 5.090 -3.275 1.00 0.00 C ATOM 0 H THR A 25 -5.383 1.507 -3.444 1.00 0.00 H new ATOM 0 HA THR A 25 -6.643 3.282 -1.582 1.00 0.00 H new ATOM 0 HB THR A 25 -6.463 4.092 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.370 5.121 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.873 6.009 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.714 4.460 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.027 5.333 -2.221 1.00 0.00 H new ATOM 396 N PHE A 26 -8.200 1.317 -2.151 1.00 0.00 N ATOM 397 CA PHE A 26 -9.336 0.444 -2.421 1.00 0.00 C ATOM 398 C PHE A 26 -10.449 0.668 -1.400 1.00 0.00 C ATOM 399 O PHE A 26 -11.457 1.306 -1.697 1.00 0.00 O ATOM 400 CB PHE A 26 -8.897 -1.022 -2.400 1.00 0.00 C ATOM 401 CG PHE A 26 -9.999 -1.983 -2.743 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.557 -1.994 -4.011 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.476 -2.876 -1.797 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.571 -2.877 -4.329 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.490 -3.762 -2.110 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.038 -3.763 -3.378 1.00 0.00 C ATOM 0 H PHE A 26 -7.785 1.196 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.721 0.686 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.076 -1.157 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.511 -1.263 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.195 -1.305 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.051 -2.880 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.998 -2.874 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.853 -4.453 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.830 -4.455 -3.625 1.00 0.00 H new ATOM 416 N GLU A 27 -10.255 0.136 -0.197 1.00 0.00 N ATOM 417 CA GLU A 27 -11.243 0.277 0.867 1.00 0.00 C ATOM 418 C GLU A 27 -10.740 -0.353 2.163 1.00 0.00 C ATOM 419 O GLU A 27 -10.163 -1.442 2.154 1.00 0.00 O ATOM 420 CB GLU A 27 -12.566 -0.370 0.453 1.00 0.00 C ATOM 421 CG GLU A 27 -12.603 -1.873 0.667 1.00 0.00 C ATOM 422 CD GLU A 27 -13.623 -2.564 -0.217 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.170 -1.901 -1.123 1.00 0.00 O ATOM 424 OE2 GLU A 27 -13.875 -3.768 -0.001 1.00 0.00 O ATOM 0 H GLU A 27 -9.425 -0.395 0.065 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.405 1.341 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.377 0.089 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.751 -0.157 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.615 -2.289 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.833 -2.082 1.712 1.00 0.00 H new ATOM 431 N LEU A 28 -10.961 0.339 3.274 1.00 0.00 N ATOM 432 CA LEU A 28 -10.530 -0.151 4.579 1.00 0.00 C ATOM 433 C LEU A 28 -11.342 0.494 5.698 1.00 0.00 C ATOM 434 O LEU A 28 -11.971 -0.197 6.500 1.00 0.00 O ATOM 435 CB LEU A 28 -9.041 0.131 4.786 1.00 0.00 C ATOM 436 CG LEU A 28 -8.162 -1.085 5.080 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.811 -1.814 3.792 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.899 -0.664 5.817 1.00 0.00 C ATOM 0 H LEU A 28 -11.436 1.241 3.298 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.697 -1.228 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.657 0.624 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.937 0.837 5.610 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.722 -1.768 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.185 -2.676 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.726 -2.149 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.270 -1.140 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.285 -1.542 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.336 0.039 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.169 -0.187 6.759 1.00 0.00 H new ATOM 450 N ASP A 29 -11.325 1.821 5.745 1.00 0.00 N ATOM 451 CA ASP A 29 -12.062 2.560 6.763 1.00 0.00 C ATOM 452 C ASP A 29 -12.985 3.593 6.124 1.00 0.00 C ATOM 453 O ASP A 29 -12.930 3.825 4.917 1.00 0.00 O ATOM 454 CB ASP A 29 -11.093 3.249 7.725 1.00 0.00 C ATOM 455 CG ASP A 29 -11.510 3.096 9.175 1.00 0.00 C ATOM 456 OD1 ASP A 29 -12.590 3.607 9.539 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.757 2.465 9.945 1.00 0.00 O ATOM 0 H ASP A 29 -10.809 2.408 5.090 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.673 1.850 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.095 2.832 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.032 4.309 7.477 1.00 0.00 H new ATOM 462 N GLU A 30 -13.832 4.210 6.943 1.00 0.00 N ATOM 463 CA GLU A 30 -14.767 5.217 6.456 1.00 0.00 C ATOM 464 C GLU A 30 -14.455 6.585 7.056 1.00 0.00 C ATOM 465 O GLU A 30 -14.731 7.619 6.447 1.00 0.00 O ATOM 466 CB GLU A 30 -16.205 4.815 6.793 1.00 0.00 C ATOM 467 CG GLU A 30 -16.426 4.530 8.269 1.00 0.00 C ATOM 468 CD GLU A 30 -17.703 5.153 8.798 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.952 6.341 8.502 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.454 4.453 9.509 1.00 0.00 O ATOM 0 H GLU A 30 -13.889 4.030 7.945 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.660 5.282 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.879 5.612 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.470 3.929 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.460 3.452 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.578 4.909 8.839 1.00 0.00 H new ATOM 477 N ARG A 31 -13.879 6.581 8.254 1.00 0.00 N ATOM 478 CA ARG A 31 -13.531 7.821 8.938 1.00 0.00 C ATOM 479 C ARG A 31 -12.039 8.113 8.807 1.00 0.00 C ATOM 480 O ARG A 31 -11.637 9.257 8.594 1.00 0.00 O ATOM 481 CB ARG A 31 -13.919 7.739 10.415 1.00 0.00 C ATOM 482 CG ARG A 31 -14.838 8.862 10.867 1.00 0.00 C ATOM 483 CD ARG A 31 -16.171 8.819 10.136 1.00 0.00 C ATOM 484 NE ARG A 31 -17.144 9.740 10.717 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.230 10.160 10.079 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.482 9.742 8.846 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.068 10.999 10.675 1.00 0.00 N ATOM 0 H ARG A 31 -13.644 5.734 8.771 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.085 8.634 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.409 6.783 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.013 7.756 11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.008 8.785 11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.355 9.823 10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.017 9.069 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.569 7.805 10.167 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.980 10.079 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.841 9.096 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.317 10.066 8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.878 11.322 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.902 11.321 10.184 1.00 0.00 H new ATOM 501 N VAL A 32 -11.224 7.072 8.938 1.00 0.00 N ATOM 502 CA VAL A 32 -9.777 7.217 8.834 1.00 0.00 C ATOM 503 C VAL A 32 -9.248 6.556 7.566 1.00 0.00 C ATOM 504 O VAL A 32 -8.190 5.926 7.577 1.00 0.00 O ATOM 505 CB VAL A 32 -9.063 6.606 10.054 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.435 7.358 11.323 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.399 5.128 10.183 1.00 0.00 C ATOM 0 H VAL A 32 -11.541 6.119 9.116 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.568 8.286 8.797 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.987 6.699 9.907 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.921 6.912 12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.139 8.403 11.227 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.512 7.299 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.886 4.713 11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.475 5.009 10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.077 4.602 9.284 1.00 0.00 H new ATOM 517 N ASP A 33 -9.990 6.705 6.474 1.00 0.00 N ATOM 518 CA ASP A 33 -9.595 6.124 5.196 1.00 0.00 C ATOM 519 C ASP A 33 -8.607 7.031 4.469 1.00 0.00 C ATOM 520 O ASP A 33 -7.591 6.569 3.949 1.00 0.00 O ATOM 521 CB ASP A 33 -10.826 5.883 4.320 1.00 0.00 C ATOM 522 CG ASP A 33 -10.687 4.645 3.455 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.124 3.642 3.941 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.143 4.679 2.294 1.00 0.00 O ATOM 0 H ASP A 33 -10.868 7.223 6.448 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.106 5.170 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.706 5.782 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.991 6.752 3.682 1.00 0.00 H new ATOM 529 N LYS A 34 -8.913 8.324 4.436 1.00 0.00 N ATOM 530 CA LYS A 34 -8.052 9.296 3.773 1.00 0.00 C ATOM 531 C LYS A 34 -6.744 9.476 4.537 1.00 0.00 C ATOM 532 O LYS A 34 -5.731 9.879 3.967 1.00 0.00 O ATOM 533 CB LYS A 34 -8.771 10.642 3.647 1.00 0.00 C ATOM 534 CG LYS A 34 -8.479 11.596 4.792 1.00 0.00 C ATOM 535 CD LYS A 34 -9.088 11.107 6.095 1.00 0.00 C ATOM 536 CE LYS A 34 -10.494 11.653 6.294 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.485 12.957 7.014 1.00 0.00 N ATOM 0 H LYS A 34 -9.750 8.723 4.861 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.821 8.919 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.480 11.114 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.846 10.467 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.401 11.703 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.873 12.584 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.116 10.017 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.457 11.412 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.976 11.777 5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.088 10.932 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.461 13.296 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.048 12.834 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.940 13.653 6.466 1.00 0.00 H new ATOM 551 N VAL A 35 -6.774 9.173 5.831 1.00 0.00 N ATOM 552 CA VAL A 35 -5.590 9.299 6.673 1.00 0.00 C ATOM 553 C VAL A 35 -4.494 8.338 6.227 1.00 0.00 C ATOM 554 O VAL A 35 -3.325 8.508 6.574 1.00 0.00 O ATOM 555 CB VAL A 35 -5.923 9.030 8.153 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.684 9.204 9.019 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.043 9.946 8.621 1.00 0.00 C ATOM 0 H VAL A 35 -7.605 8.839 6.319 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.235 10.324 6.569 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.263 7.999 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.938 9.010 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.914 8.503 8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.311 10.224 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.266 9.743 9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.733 10.985 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.934 9.768 8.019 1.00 0.00 H new ATOM 567 N LEU A 36 -4.879 7.327 5.456 1.00 0.00 N ATOM 568 CA LEU A 36 -3.929 6.337 4.961 1.00 0.00 C ATOM 569 C LEU A 36 -3.881 6.343 3.437 1.00 0.00 C ATOM 570 O LEU A 36 -3.254 5.481 2.822 1.00 0.00 O ATOM 571 CB LEU A 36 -4.306 4.943 5.466 1.00 0.00 C ATOM 572 CG LEU A 36 -5.416 4.227 4.695 1.00 0.00 C ATOM 573 CD1 LEU A 36 -4.826 3.222 3.719 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.375 3.541 5.656 1.00 0.00 C ATOM 0 H LEU A 36 -5.843 7.171 5.160 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.940 6.598 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.414 4.317 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.611 5.027 6.509 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.974 4.970 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.631 2.723 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.181 3.740 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.243 2.482 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.158 3.037 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.830 2.810 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.824 4.285 6.314 1.00 0.00 H new ATOM 586 N ASN A 37 -4.546 7.322 2.833 1.00 0.00 N ATOM 587 CA ASN A 37 -4.578 7.441 1.379 1.00 0.00 C ATOM 588 C ASN A 37 -3.938 8.750 0.927 1.00 0.00 C ATOM 589 O ASN A 37 -3.520 8.882 -0.223 1.00 0.00 O ATOM 590 CB ASN A 37 -6.020 7.364 0.872 1.00 0.00 C ATOM 591 CG ASN A 37 -6.454 5.940 0.580 1.00 0.00 C ATOM 592 OD1 ASN A 37 -5.710 5.163 -0.018 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.664 5.593 1.002 1.00 0.00 N ATOM 0 H ASN A 37 -5.070 8.044 3.327 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.007 6.613 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.688 7.799 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.117 7.963 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.011 4.649 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.246 6.271 1.494 1.00 0.00 H new ATOM 600 N GLU A 38 -3.864 9.713 1.840 1.00 0.00 N ATOM 601 CA GLU A 38 -3.275 11.012 1.534 1.00 0.00 C ATOM 602 C GLU A 38 -2.025 11.254 2.376 1.00 0.00 C ATOM 603 O GLU A 38 -1.076 11.898 1.929 1.00 0.00 O ATOM 604 CB GLU A 38 -4.292 12.128 1.778 1.00 0.00 C ATOM 605 CG GLU A 38 -4.431 12.516 3.240 1.00 0.00 C ATOM 606 CD GLU A 38 -5.786 13.119 3.557 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.637 13.176 2.645 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.994 13.534 4.716 1.00 0.00 O ATOM 0 H GLU A 38 -4.204 9.619 2.797 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.990 11.015 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.999 13.007 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.264 11.811 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.275 11.635 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.650 13.231 3.498 1.00 0.00 H new ATOM 615 N LYS A 39 -2.033 10.734 3.598 1.00 0.00 N ATOM 616 CA LYS A 39 -0.902 10.891 4.505 1.00 0.00 C ATOM 617 C LYS A 39 0.315 10.127 3.994 1.00 0.00 C ATOM 618 O LYS A 39 1.453 10.567 4.164 1.00 0.00 O ATOM 619 CB LYS A 39 -1.273 10.402 5.907 1.00 0.00 C ATOM 620 CG LYS A 39 -0.507 11.100 7.017 1.00 0.00 C ATOM 621 CD LYS A 39 -1.441 11.624 8.095 1.00 0.00 C ATOM 622 CE LYS A 39 -2.164 12.883 7.641 1.00 0.00 C ATOM 623 NZ LYS A 39 -1.312 14.096 7.789 1.00 0.00 N ATOM 0 H LYS A 39 -2.811 10.199 3.984 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.651 11.951 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.341 10.552 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.089 9.329 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.208 10.406 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.068 11.926 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.171 10.856 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.872 11.836 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.463 12.774 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.077 13.007 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.841 14.933 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.047 14.215 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.452 13.989 7.214 1.00 0.00 H new ATOM 637 N CYS A 40 0.069 8.983 3.366 1.00 0.00 N ATOM 638 CA CYS A 40 1.145 8.158 2.829 1.00 0.00 C ATOM 639 C CYS A 40 0.597 6.860 2.246 1.00 0.00 C ATOM 640 O CYS A 40 0.529 5.839 2.931 1.00 0.00 O ATOM 641 CB CYS A 40 2.171 7.847 3.921 1.00 0.00 C ATOM 642 SG CYS A 40 3.790 8.604 3.650 1.00 0.00 S ATOM 0 H CYS A 40 -0.867 8.605 3.216 1.00 0.00 H new ATOM 0 HA CYS A 40 1.633 8.716 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.779 8.186 4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.294 6.766 3.991 1.00 0.00 H new ATOM 0 HG CYS A 40 3.685 9.897 3.741 1.00 0.00 H new ATOM 648 N SER A 41 0.204 6.907 0.977 1.00 0.00 N ATOM 649 CA SER A 41 -0.345 5.736 0.302 1.00 0.00 C ATOM 650 C SER A 41 0.520 5.342 -0.892 1.00 0.00 C ATOM 651 O SER A 41 0.435 4.220 -1.391 1.00 0.00 O ATOM 652 CB SER A 41 -1.777 6.012 -0.160 1.00 0.00 C ATOM 653 OG SER A 41 -2.643 4.952 0.205 1.00 0.00 O ATOM 0 H SER A 41 0.255 7.743 0.395 1.00 0.00 H new ATOM 0 HA SER A 41 -0.353 4.909 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.132 6.944 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.794 6.144 -1.242 1.00 0.00 H new ATOM 0 HG SER A 41 -3.285 4.790 -0.518 1.00 0.00 H new ATOM 659 N VAL A 42 1.352 6.274 -1.344 1.00 0.00 N ATOM 660 CA VAL A 42 2.234 6.026 -2.479 1.00 0.00 C ATOM 661 C VAL A 42 3.679 5.853 -2.024 1.00 0.00 C ATOM 662 O VAL A 42 4.139 6.537 -1.110 1.00 0.00 O ATOM 663 CB VAL A 42 2.164 7.172 -3.505 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.200 8.521 -2.803 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.299 7.056 -4.511 1.00 0.00 C ATOM 0 H VAL A 42 1.434 7.208 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 42 1.892 5.105 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 42 1.220 7.095 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.150 9.318 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.350 8.601 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.126 8.611 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.234 7.874 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.255 7.106 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.223 6.105 -5.037 1.00 0.00 H new ATOM 675 N TYR A 43 4.390 4.934 -2.669 1.00 0.00 N ATOM 676 CA TYR A 43 5.783 4.669 -2.330 1.00 0.00 C ATOM 677 C TYR A 43 6.555 4.171 -3.548 1.00 0.00 C ATOM 678 O TYR A 43 5.967 3.843 -4.580 1.00 0.00 O ATOM 679 CB TYR A 43 5.868 3.639 -1.202 1.00 0.00 C ATOM 680 CG TYR A 43 4.656 2.739 -1.111 1.00 0.00 C ATOM 681 CD1 TYR A 43 3.498 3.163 -0.470 1.00 0.00 C ATOM 682 CD2 TYR A 43 4.669 1.466 -1.667 1.00 0.00 C ATOM 683 CE1 TYR A 43 2.389 2.343 -0.384 1.00 0.00 C ATOM 684 CE2 TYR A 43 3.564 0.640 -1.587 1.00 0.00 C ATOM 685 CZ TYR A 43 2.427 1.084 -0.944 1.00 0.00 C ATOM 686 OH TYR A 43 1.324 0.265 -0.862 1.00 0.00 O ATOM 0 H TYR A 43 4.024 4.361 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 43 6.233 5.603 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.756 3.024 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.995 4.161 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.464 4.150 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.558 1.116 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.497 2.687 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.590 -0.347 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 43 1.563 -0.637 -1.162 1.00 0.00 H new ATOM 696 N THR A 44 7.877 4.116 -3.421 1.00 0.00 N ATOM 697 CA THR A 44 8.731 3.659 -4.509 1.00 0.00 C ATOM 698 C THR A 44 9.118 2.196 -4.327 1.00 0.00 C ATOM 699 O THR A 44 9.484 1.772 -3.231 1.00 0.00 O ATOM 700 CB THR A 44 10.012 4.508 -4.613 1.00 0.00 C ATOM 701 OG1 THR A 44 9.878 5.695 -3.822 1.00 0.00 O ATOM 702 CG2 THR A 44 10.295 4.886 -6.059 1.00 0.00 C ATOM 0 H THR A 44 8.379 4.383 -2.574 1.00 0.00 H new ATOM 0 HA THR A 44 8.156 3.768 -5.429 1.00 0.00 H new ATOM 0 HB THR A 44 10.846 3.914 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.697 6.229 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.204 5.485 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.425 3.981 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.459 5.463 -6.455 1.00 0.00 H new ATOM 710 N VAL A 45 9.036 1.427 -5.409 1.00 0.00 N ATOM 711 CA VAL A 45 9.380 0.011 -5.369 1.00 0.00 C ATOM 712 C VAL A 45 10.630 -0.274 -6.194 1.00 0.00 C ATOM 713 O VAL A 45 10.668 -0.004 -7.393 1.00 0.00 O ATOM 714 CB VAL A 45 8.224 -0.862 -5.890 1.00 0.00 C ATOM 715 CG1 VAL A 45 8.625 -2.330 -5.899 1.00 0.00 C ATOM 716 CG2 VAL A 45 6.974 -0.648 -5.049 1.00 0.00 C ATOM 0 H VAL A 45 8.734 1.762 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 45 9.572 -0.239 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 45 8.001 -0.565 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.795 -2.932 -6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.491 -2.467 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.877 -2.645 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.167 -1.273 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.182 -0.917 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.677 0.399 -5.099 1.00 0.00 H new ATOM 726 N GLU A 46 11.651 -0.823 -5.542 1.00 0.00 N ATOM 727 CA GLU A 46 12.903 -1.145 -6.216 1.00 0.00 C ATOM 728 C GLU A 46 12.670 -2.139 -7.350 1.00 0.00 C ATOM 729 O GLU A 46 11.530 -2.481 -7.665 1.00 0.00 O ATOM 730 CB GLU A 46 13.912 -1.719 -5.219 1.00 0.00 C ATOM 731 CG GLU A 46 15.152 -0.859 -5.046 1.00 0.00 C ATOM 732 CD GLU A 46 16.431 -1.674 -5.043 1.00 0.00 C ATOM 733 OE1 GLU A 46 16.813 -2.176 -3.966 1.00 0.00 O ATOM 734 OE2 GLU A 46 17.050 -1.809 -6.120 1.00 0.00 O ATOM 0 H GLU A 46 11.635 -1.054 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 46 13.305 -0.225 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.426 -1.839 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.213 -2.713 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.195 -0.125 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.077 -0.304 -4.111 1.00 0.00 H new ATOM 741 N SER A 47 13.758 -2.598 -7.959 1.00 0.00 N ATOM 742 CA SER A 47 13.674 -3.550 -9.061 1.00 0.00 C ATOM 743 C SER A 47 13.623 -4.983 -8.539 1.00 0.00 C ATOM 744 O SER A 47 13.551 -5.935 -9.314 1.00 0.00 O ATOM 745 CB SER A 47 14.868 -3.380 -10.002 1.00 0.00 C ATOM 746 OG SER A 47 14.668 -4.091 -11.212 1.00 0.00 O ATOM 0 H SER A 47 14.709 -2.326 -7.708 1.00 0.00 H new ATOM 0 HA SER A 47 12.755 -3.350 -9.612 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.017 -2.322 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.775 -3.736 -9.513 1.00 0.00 H new ATOM 0 HG SER A 47 14.352 -4.996 -11.011 1.00 0.00 H new ATOM 752 N GLY A 48 13.662 -5.126 -7.217 1.00 0.00 N ATOM 753 CA GLY A 48 13.620 -6.445 -6.613 1.00 0.00 C ATOM 754 C GLY A 48 12.556 -6.557 -5.539 1.00 0.00 C ATOM 755 O GLY A 48 12.868 -6.706 -4.357 1.00 0.00 O ATOM 0 H GLY A 48 13.722 -4.353 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.431 -7.190 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.594 -6.674 -6.181 1.00 0.00 H new ATOM 759 N THR A 49 11.293 -6.484 -5.950 1.00 0.00 N ATOM 760 CA THR A 49 10.179 -6.576 -5.014 1.00 0.00 C ATOM 761 C THR A 49 9.081 -7.483 -5.555 1.00 0.00 C ATOM 762 O THR A 49 8.718 -7.402 -6.728 1.00 0.00 O ATOM 763 CB THR A 49 9.582 -5.188 -4.715 1.00 0.00 C ATOM 764 OG1 THR A 49 10.592 -4.181 -4.848 1.00 0.00 O ATOM 765 CG2 THR A 49 8.996 -5.143 -3.312 1.00 0.00 C ATOM 0 H THR A 49 11.017 -6.362 -6.924 1.00 0.00 H new ATOM 0 HA THR A 49 10.575 -7.000 -4.091 1.00 0.00 H new ATOM 0 HB THR A 49 8.783 -4.998 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.700 -3.711 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.580 -4.153 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.208 -5.891 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.779 -5.353 -2.584 1.00 0.00 H new ATOM 773 N GLU A 50 8.554 -8.347 -4.693 1.00 0.00 N ATOM 774 CA GLU A 50 7.496 -9.270 -5.086 1.00 0.00 C ATOM 775 C GLU A 50 6.131 -8.753 -4.642 1.00 0.00 C ATOM 776 O GLU A 50 6.036 -7.788 -3.883 1.00 0.00 O ATOM 777 CB GLU A 50 7.749 -10.655 -4.487 1.00 0.00 C ATOM 778 CG GLU A 50 9.200 -11.097 -4.567 1.00 0.00 C ATOM 779 CD GLU A 50 9.879 -11.115 -3.211 1.00 0.00 C ATOM 780 OE1 GLU A 50 9.437 -10.365 -2.315 1.00 0.00 O ATOM 781 OE2 GLU A 50 10.853 -11.879 -3.046 1.00 0.00 O ATOM 0 H GLU A 50 8.843 -8.427 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 50 7.500 -9.346 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.436 -10.653 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.127 -11.385 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.249 -12.093 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.744 -10.427 -5.233 1.00 0.00 H new ATOM 788 N VAL A 51 5.074 -9.403 -5.120 1.00 0.00 N ATOM 789 CA VAL A 51 3.714 -9.010 -4.773 1.00 0.00 C ATOM 790 C VAL A 51 3.425 -9.274 -3.299 1.00 0.00 C ATOM 791 O VAL A 51 2.436 -8.785 -2.751 1.00 0.00 O ATOM 792 CB VAL A 51 2.677 -9.761 -5.630 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.308 -9.108 -5.505 1.00 0.00 C ATOM 794 CG2 VAL A 51 3.123 -9.809 -7.083 1.00 0.00 C ATOM 0 H VAL A 51 5.134 -10.204 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 51 3.633 -7.941 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 51 2.600 -10.785 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.588 -9.652 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.988 -9.130 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.366 -8.074 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.379 -10.343 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.229 -8.794 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.081 -10.325 -7.153 1.00 0.00 H new ATOM 804 N THR A 52 4.295 -10.050 -2.660 1.00 0.00 N ATOM 805 CA THR A 52 4.134 -10.380 -1.250 1.00 0.00 C ATOM 806 C THR A 52 4.894 -9.398 -0.366 1.00 0.00 C ATOM 807 O THR A 52 4.511 -9.154 0.778 1.00 0.00 O ATOM 808 CB THR A 52 4.622 -11.809 -0.948 1.00 0.00 C ATOM 809 OG1 THR A 52 4.577 -12.054 0.462 1.00 0.00 O ATOM 810 CG2 THR A 52 6.040 -12.016 -1.458 1.00 0.00 C ATOM 0 H THR A 52 5.119 -10.462 -3.098 1.00 0.00 H new ATOM 0 HA THR A 52 3.069 -10.314 -1.029 1.00 0.00 H new ATOM 0 HB THR A 52 3.963 -12.510 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.887 -12.965 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.363 -13.033 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.066 -11.857 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.709 -11.307 -0.971 1.00 0.00 H new ATOM 818 N GLU A 53 5.972 -8.836 -0.903 1.00 0.00 N ATOM 819 CA GLU A 53 6.786 -7.880 -0.161 1.00 0.00 C ATOM 820 C GLU A 53 5.960 -6.662 0.243 1.00 0.00 C ATOM 821 O GLU A 53 6.164 -6.087 1.312 1.00 0.00 O ATOM 822 CB GLU A 53 7.988 -7.441 -0.999 1.00 0.00 C ATOM 823 CG GLU A 53 9.238 -7.174 -0.177 1.00 0.00 C ATOM 824 CD GLU A 53 10.510 -7.306 -0.991 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.484 -8.004 -2.026 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.533 -6.710 -0.592 1.00 0.00 O ATOM 0 H GLU A 53 6.302 -9.026 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 53 7.144 -8.371 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.207 -8.212 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.726 -6.538 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.183 -6.170 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.273 -7.870 0.661 1.00 0.00 H new ATOM 833 N PHE A 54 5.028 -6.273 -0.621 1.00 0.00 N ATOM 834 CA PHE A 54 4.173 -5.122 -0.357 1.00 0.00 C ATOM 835 C PHE A 54 3.206 -5.415 0.786 1.00 0.00 C ATOM 836 O PHE A 54 2.768 -4.506 1.491 1.00 0.00 O ATOM 837 CB PHE A 54 3.392 -4.741 -1.616 1.00 0.00 C ATOM 838 CG PHE A 54 4.220 -4.775 -2.869 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.374 -4.016 -2.973 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.844 -5.567 -3.942 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.137 -4.045 -4.125 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.604 -5.601 -5.096 1.00 0.00 C ATOM 843 CZ PHE A 54 5.752 -4.839 -5.187 1.00 0.00 C ATOM 0 H PHE A 54 4.846 -6.738 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 54 4.810 -4.286 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.548 -5.421 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.980 -3.740 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.681 -3.395 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.947 -6.165 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.034 -3.447 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.300 -6.223 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.348 -4.864 -6.087 1.00 0.00 H new ATOM 853 N ALA A 55 2.876 -6.690 0.963 1.00 0.00 N ATOM 854 CA ALA A 55 1.962 -7.104 2.020 1.00 0.00 C ATOM 855 C ALA A 55 2.582 -6.890 3.397 1.00 0.00 C ATOM 856 O ALA A 55 1.899 -6.982 4.417 1.00 0.00 O ATOM 857 CB ALA A 55 1.569 -8.562 1.837 1.00 0.00 C ATOM 0 H ALA A 55 3.228 -7.455 0.387 1.00 0.00 H new ATOM 0 HA ALA A 55 1.066 -6.487 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.886 -8.858 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.077 -8.688 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.461 -9.187 1.874 1.00 0.00 H new ATOM 863 N CYS A 56 3.879 -6.604 3.418 1.00 0.00 N ATOM 864 CA CYS A 56 4.592 -6.378 4.670 1.00 0.00 C ATOM 865 C CYS A 56 4.908 -4.898 4.857 1.00 0.00 C ATOM 866 O CYS A 56 5.217 -4.452 5.962 1.00 0.00 O ATOM 867 CB CYS A 56 5.884 -7.196 4.700 1.00 0.00 C ATOM 868 SG CYS A 56 6.319 -7.829 6.337 1.00 0.00 S ATOM 0 H CYS A 56 4.458 -6.523 2.582 1.00 0.00 H new ATOM 0 HA CYS A 56 3.948 -6.699 5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.786 -8.036 4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.702 -6.577 4.333 1.00 0.00 H new ATOM 0 HG CYS A 56 7.424 -8.509 6.260 1.00 0.00 H new ATOM 874 N VAL A 57 4.831 -4.140 3.767 1.00 0.00 N ATOM 875 CA VAL A 57 5.109 -2.709 3.810 1.00 0.00 C ATOM 876 C VAL A 57 3.819 -1.899 3.848 1.00 0.00 C ATOM 877 O VAL A 57 3.822 -0.722 4.210 1.00 0.00 O ATOM 878 CB VAL A 57 5.947 -2.264 2.596 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.074 -2.161 1.355 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.638 -0.940 2.884 1.00 0.00 C ATOM 0 H VAL A 57 4.579 -4.493 2.844 1.00 0.00 H new ATOM 0 HA VAL A 57 5.677 -2.524 4.722 1.00 0.00 H new ATOM 0 HB VAL A 57 6.715 -3.015 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.682 -1.846 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.630 -3.133 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.283 -1.430 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.226 -0.640 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.889 -0.177 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.295 -1.053 3.746 1.00 0.00 H new ATOM 890 N VAL A 58 2.715 -2.537 3.472 1.00 0.00 N ATOM 891 CA VAL A 58 1.415 -1.877 3.464 1.00 0.00 C ATOM 892 C VAL A 58 0.715 -2.025 4.811 1.00 0.00 C ATOM 893 O VAL A 58 -0.132 -1.210 5.175 1.00 0.00 O ATOM 894 CB VAL A 58 0.504 -2.443 2.359 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.887 -1.834 2.449 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.115 -2.199 0.988 1.00 0.00 C ATOM 0 H VAL A 58 2.695 -3.511 3.169 1.00 0.00 H new ATOM 0 HA VAL A 58 1.598 -0.821 3.267 1.00 0.00 H new ATOM 0 HB VAL A 58 0.412 -3.519 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.516 -2.246 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.324 -2.066 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.819 -0.753 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.458 -2.605 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.239 -1.128 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.087 -2.689 0.930 1.00 0.00 H new ATOM 906 N ALA A 59 1.075 -3.071 5.546 1.00 0.00 N ATOM 907 CA ALA A 59 0.484 -3.326 6.854 1.00 0.00 C ATOM 908 C ALA A 59 1.256 -2.606 7.955 1.00 0.00 C ATOM 909 O ALA A 59 0.751 -2.426 9.063 1.00 0.00 O ATOM 910 CB ALA A 59 0.437 -4.821 7.130 1.00 0.00 C ATOM 0 H ALA A 59 1.774 -3.756 5.258 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.534 -2.937 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.007 -4.996 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.165 -5.313 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.449 -5.226 7.112 1.00 0.00 H new ATOM 916 N GLU A 60 2.482 -2.199 7.642 1.00 0.00 N ATOM 917 CA GLU A 60 3.324 -1.501 8.607 1.00 0.00 C ATOM 918 C GLU A 60 3.323 0.002 8.343 1.00 0.00 C ATOM 919 O GLU A 60 3.983 0.767 9.045 1.00 0.00 O ATOM 920 CB GLU A 60 4.755 -2.039 8.552 1.00 0.00 C ATOM 921 CG GLU A 60 5.536 -1.568 7.336 1.00 0.00 C ATOM 922 CD GLU A 60 6.900 -2.222 7.229 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.172 -3.156 8.013 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.695 -1.800 6.364 1.00 0.00 O ATOM 0 H GLU A 60 2.914 -2.340 6.729 1.00 0.00 H new ATOM 0 HA GLU A 60 2.915 -1.678 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.284 -1.733 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.725 -3.129 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.962 -1.784 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.659 -0.486 7.385 1.00 0.00 H new ATOM 931 N ALA A 61 2.577 0.417 7.325 1.00 0.00 N ATOM 932 CA ALA A 61 2.488 1.827 6.968 1.00 0.00 C ATOM 933 C ALA A 61 1.059 2.340 7.106 1.00 0.00 C ATOM 934 O ALA A 61 0.776 3.505 6.827 1.00 0.00 O ATOM 935 CB ALA A 61 2.994 2.046 5.550 1.00 0.00 C ATOM 0 H ALA A 61 2.025 -0.204 6.733 1.00 0.00 H new ATOM 0 HA ALA A 61 3.117 2.390 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.922 3.104 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.034 1.727 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.389 1.464 4.854 1.00 0.00 H new ATOM 941 N VAL A 62 0.159 1.461 7.537 1.00 0.00 N ATOM 942 CA VAL A 62 -1.242 1.825 7.712 1.00 0.00 C ATOM 943 C VAL A 62 -1.615 1.880 9.189 1.00 0.00 C ATOM 944 O VAL A 62 -2.357 2.762 9.621 1.00 0.00 O ATOM 945 CB VAL A 62 -2.174 0.830 6.995 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.026 0.952 5.486 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.889 -0.592 7.454 1.00 0.00 C ATOM 0 H VAL A 62 0.375 0.492 7.771 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.370 2.814 7.271 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.204 1.072 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.692 0.241 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.284 1.964 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.995 0.738 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.556 -1.282 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.855 -0.848 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.052 -0.667 8.529 1.00 0.00 H new ATOM 957 N VAL A 63 -1.095 0.931 9.961 1.00 0.00 N ATOM 958 CA VAL A 63 -1.372 0.871 11.391 1.00 0.00 C ATOM 959 C VAL A 63 -0.730 2.044 12.124 1.00 0.00 C ATOM 960 O VAL A 63 -1.422 2.917 12.648 1.00 0.00 O ATOM 961 CB VAL A 63 -0.862 -0.446 12.007 1.00 0.00 C ATOM 962 CG1 VAL A 63 -1.103 -0.461 13.509 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.530 -1.639 11.340 1.00 0.00 C ATOM 0 H VAL A 63 -0.479 0.193 9.620 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.455 0.922 11.506 1.00 0.00 H new ATOM 0 HB VAL A 63 0.212 -0.516 11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.737 -1.399 13.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.575 0.373 13.971 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.171 -0.368 13.707 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.158 -2.561 11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.609 -1.577 11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.302 -1.635 10.274 1.00 0.00 H new ATOM 973 N LYS A 64 0.598 2.058 12.157 1.00 0.00 N ATOM 974 CA LYS A 64 1.336 3.125 12.824 1.00 0.00 C ATOM 975 C LYS A 64 0.876 4.494 12.334 1.00 0.00 C ATOM 976 O LYS A 64 0.958 5.485 13.060 1.00 0.00 O ATOM 977 CB LYS A 64 2.838 2.963 12.582 1.00 0.00 C ATOM 978 CG LYS A 64 3.187 2.588 11.151 1.00 0.00 C ATOM 979 CD LYS A 64 4.270 3.491 10.586 1.00 0.00 C ATOM 980 CE LYS A 64 5.621 3.206 11.223 1.00 0.00 C ATOM 981 NZ LYS A 64 6.479 4.423 11.271 1.00 0.00 N ATOM 0 H LYS A 64 1.186 1.342 11.730 1.00 0.00 H new ATOM 0 HA LYS A 64 1.137 3.056 13.893 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.341 3.896 12.837 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.225 2.197 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.522 1.551 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.295 2.655 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.338 3.349 9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.000 4.534 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.473 2.826 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.131 2.424 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.391 4.188 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.641 4.772 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.004 5.161 11.830 1.00 0.00 H new ATOM 995 N THR A 65 0.390 4.542 11.097 1.00 0.00 N ATOM 996 CA THR A 65 -0.083 5.789 10.510 1.00 0.00 C ATOM 997 C THR A 65 -1.468 6.152 11.033 1.00 0.00 C ATOM 998 O THR A 65 -1.792 7.329 11.197 1.00 0.00 O ATOM 999 CB THR A 65 -0.133 5.703 8.973 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.181 5.474 8.452 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.705 6.981 8.377 1.00 0.00 C ATOM 0 H THR A 65 0.314 3.731 10.483 1.00 0.00 H new ATOM 0 HA THR A 65 0.626 6.564 10.800 1.00 0.00 H new ATOM 0 HB THR A 65 -0.782 4.871 8.699 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.170 4.683 7.873 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.730 6.896 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.716 7.137 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.079 7.827 8.660 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.282 5.135 11.293 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.634 5.347 11.799 1.00 0.00 C ATOM 1011 C LEU A 66 -3.754 4.877 13.245 1.00 0.00 C ATOM 1012 O LEU A 66 -4.474 3.923 13.539 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.648 4.608 10.925 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.132 5.355 9.681 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.950 5.845 8.859 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.036 4.463 8.842 1.00 0.00 C ATOM 0 H LEU A 66 -2.030 4.155 11.162 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.845 6.416 11.765 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.205 3.664 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.516 4.363 11.538 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.708 6.223 10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.314 6.374 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.342 6.519 9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.346 4.993 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.371 5.010 7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.484 3.576 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.901 4.163 9.433 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.046 5.555 14.143 1.00 0.00 N ATOM 1029 CA GLN A 67 -3.075 5.207 15.559 1.00 0.00 C ATOM 1030 C GLN A 67 -3.422 6.423 16.411 1.00 0.00 C ATOM 1031 O GLN A 67 -2.901 6.609 17.511 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.725 4.633 15.992 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.495 3.203 15.529 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.471 2.215 16.678 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.152 2.400 17.687 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -0.684 1.155 16.531 1.00 0.00 N ATOM 0 H GLN A 67 -2.446 6.348 13.915 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.847 4.451 15.707 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.928 5.265 15.600 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.656 4.670 17.079 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.281 2.921 14.829 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.551 3.148 14.987 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.136 1.041 15.678 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.627 0.455 17.271 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.321 7.273 15.893 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.757 8.486 16.591 1.00 0.00 C ATOM 1047 C PRO A 68 -5.610 8.175 17.816 1.00 0.00 C ATOM 1048 O PRO A 68 -5.374 8.708 18.900 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.585 9.223 15.535 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.068 8.154 14.617 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.982 7.114 14.587 1.00 0.00 C ATOM 0 HA PRO A 68 -3.914 9.063 16.972 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.417 9.760 15.989 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.983 9.959 15.003 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.006 7.729 14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.256 8.551 13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.390 6.111 14.463 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.289 7.281 13.763 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.603 7.310 17.636 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.491 6.927 18.728 1.00 0.00 C ATOM 1061 C VAL A 69 -8.056 5.528 18.512 1.00 0.00 C ATOM 1062 O VAL A 69 -9.254 5.358 18.290 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.657 7.922 18.878 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -8.176 9.216 19.517 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.303 8.192 17.528 1.00 0.00 C ATOM 0 H VAL A 69 -6.813 6.861 16.745 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.894 6.938 19.640 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.408 7.479 19.532 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.014 9.907 19.615 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.764 9.003 20.503 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.406 9.666 18.891 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.125 8.897 17.652 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.563 8.614 16.848 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.685 7.259 17.114 1.00 0.00 H new ATOM 1075 N SER A 70 -7.184 4.527 18.579 1.00 0.00 N ATOM 1076 CA SER A 70 -7.595 3.141 18.387 1.00 0.00 C ATOM 1077 C SER A 70 -8.653 2.742 19.411 1.00 0.00 C ATOM 1078 O SER A 70 -9.415 1.799 19.197 1.00 0.00 O ATOM 1079 CB SER A 70 -6.387 2.209 18.497 1.00 0.00 C ATOM 1080 OG SER A 70 -5.221 2.925 18.865 1.00 0.00 O ATOM 0 H SER A 70 -6.189 4.650 18.765 1.00 0.00 H new ATOM 0 HA SER A 70 -8.026 3.050 17.390 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.589 1.433 19.235 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.223 1.707 17.543 1.00 0.00 H new ATOM 0 HG SER A 70 -4.464 2.306 18.930 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.694 3.466 20.524 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.659 3.190 21.581 1.00 0.00 C ATOM 1088 C ASP A 71 -11.086 3.249 21.044 1.00 0.00 C ATOM 1089 O ASP A 71 -12.001 2.653 21.614 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.491 4.188 22.728 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.039 4.380 23.120 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.355 5.203 22.478 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -7.586 3.705 24.069 1.00 0.00 O ATOM 0 H ASP A 71 -8.070 4.249 20.717 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.472 2.183 21.955 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.915 5.148 22.435 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.055 3.841 23.594 1.00 0.00 H new ATOM 1098 N LEU A 72 -11.269 3.973 19.945 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.585 4.111 19.331 1.00 0.00 C ATOM 1100 C LEU A 72 -12.759 3.119 18.186 1.00 0.00 C ATOM 1101 O LEU A 72 -13.784 2.444 18.085 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.782 5.539 18.818 1.00 0.00 C ATOM 1103 CG LEU A 72 -13.026 6.608 19.884 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.847 7.999 19.296 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -14.416 6.455 20.484 1.00 0.00 C ATOM 0 H LEU A 72 -10.523 4.473 19.461 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.337 3.896 20.090 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.900 5.822 18.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.626 5.543 18.129 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.292 6.475 20.679 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.025 8.746 20.069 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.831 8.105 18.915 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.557 8.144 18.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.572 7.224 21.241 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.165 6.561 19.699 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.508 5.471 20.943 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.749 3.032 17.326 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.789 2.120 16.189 1.00 0.00 C ATOM 1119 C LEU A 73 -12.050 0.689 16.648 1.00 0.00 C ATOM 1120 O LEU A 73 -12.708 -0.087 15.954 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.473 2.186 15.411 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.258 3.439 14.561 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.837 4.610 15.435 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.220 3.178 13.480 1.00 0.00 C ATOM 0 H LEU A 73 -10.893 3.582 17.395 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.606 2.427 15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.650 2.107 16.121 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.416 1.315 14.759 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.201 3.693 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.688 5.493 14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.614 4.812 16.172 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.906 4.366 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.080 4.080 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.274 2.899 13.944 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.561 2.368 12.836 1.00 0.00 H new ATOM 1136 N THR A 74 -11.533 0.346 17.823 1.00 0.00 N ATOM 1137 CA THR A 74 -11.711 -0.991 18.376 1.00 0.00 C ATOM 1138 C THR A 74 -13.183 -1.283 18.646 1.00 0.00 C ATOM 1139 O THR A 74 -13.587 -2.440 18.749 1.00 0.00 O ATOM 1140 CB THR A 74 -10.916 -1.169 19.683 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.536 -0.853 19.464 1.00 0.00 O ATOM 1142 CG2 THR A 74 -11.039 -2.594 20.202 1.00 0.00 C ATOM 0 H THR A 74 -10.987 0.976 18.411 1.00 0.00 H new ATOM 0 HA THR A 74 -11.335 -1.693 17.632 1.00 0.00 H new ATOM 0 HB THR A 74 -11.330 -0.491 20.429 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.396 0.108 19.595 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.469 -2.695 21.126 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.087 -2.822 20.396 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.649 -3.287 19.457 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.980 -0.225 18.759 1.00 0.00 N ATOM 1151 CA ASN A 75 -15.408 -0.369 19.017 1.00 0.00 C ATOM 1152 C ASN A 75 -16.218 -0.117 17.749 1.00 0.00 C ATOM 1153 O ASN A 75 -17.396 -0.464 17.674 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.848 0.598 20.118 1.00 0.00 C ATOM 1155 CG ASN A 75 -14.913 0.580 21.312 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -14.489 -0.483 21.766 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.588 1.760 21.827 1.00 0.00 N ATOM 0 H ASN A 75 -13.661 0.740 18.676 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.591 -1.392 19.346 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.895 1.609 19.712 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.855 0.338 20.445 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.963 1.811 22.632 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.963 2.616 21.418 1.00 0.00 H new ATOM 1164 N MET A 76 -15.577 0.490 16.755 1.00 0.00 N ATOM 1165 CA MET A 76 -16.238 0.787 15.489 1.00 0.00 C ATOM 1166 C MET A 76 -16.042 -0.352 14.494 1.00 0.00 C ATOM 1167 O MET A 76 -16.258 -0.185 13.294 1.00 0.00 O ATOM 1168 CB MET A 76 -15.697 2.092 14.902 1.00 0.00 C ATOM 1169 CG MET A 76 -15.984 3.311 15.764 1.00 0.00 C ATOM 1170 SD MET A 76 -15.483 4.853 14.975 1.00 0.00 S ATOM 1171 CE MET A 76 -13.701 4.743 15.118 1.00 0.00 C ATOM 0 H MET A 76 -14.602 0.785 16.802 1.00 0.00 H new ATOM 0 HA MET A 76 -17.305 0.898 15.681 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.620 2.000 14.765 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.132 2.245 13.915 1.00 0.00 H new ATOM 0 HG2 MET A 76 -17.050 3.351 15.986 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.463 3.209 16.716 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.255 5.702 14.855 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.433 4.487 16.143 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.329 3.973 14.443 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.631 -1.511 15.000 1.00 0.00 N ATOM 1182 CA GLY A 77 -15.413 -2.660 14.141 1.00 0.00 C ATOM 1183 C GLY A 77 -14.001 -2.715 13.594 1.00 0.00 C ATOM 1184 O GLY A 77 -13.580 -3.735 13.046 1.00 0.00 O ATOM 0 H GLY A 77 -15.445 -1.674 15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.618 -3.572 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.120 -2.629 13.312 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.268 -1.617 13.740 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.895 -1.545 13.256 1.00 0.00 C ATOM 1190 C ILE A 78 -10.902 -1.852 14.371 1.00 0.00 C ATOM 1191 O ILE A 78 -10.369 -0.944 15.010 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.577 -0.157 12.669 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.494 0.140 11.480 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.117 -0.080 12.251 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.395 1.336 11.696 1.00 0.00 C ATOM 0 H ILE A 78 -13.602 -0.765 14.190 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.798 -2.294 12.470 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.754 0.595 13.438 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.883 0.311 10.594 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.109 -0.737 11.278 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.908 0.907 11.838 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.480 -0.252 13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.914 -0.839 11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.017 1.487 10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -14.032 1.160 12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.786 2.224 11.868 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.656 -3.137 14.600 1.00 0.00 N ATOM 1208 CA ASP A 79 -9.724 -3.565 15.636 1.00 0.00 C ATOM 1209 C ASP A 79 -8.294 -3.588 15.106 1.00 0.00 C ATOM 1210 O ASP A 79 -7.880 -4.541 14.445 1.00 0.00 O ATOM 1211 CB ASP A 79 -10.109 -4.951 16.158 1.00 0.00 C ATOM 1212 CG ASP A 79 -9.903 -5.084 17.654 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.234 -4.208 18.241 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -10.413 -6.063 18.238 1.00 0.00 O ATOM 0 H ASP A 79 -11.090 -3.901 14.082 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.777 -2.848 16.455 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.154 -5.149 15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.516 -5.707 15.644 1.00 0.00 H new ATOM 1219 N LEU A 80 -7.544 -2.531 15.398 1.00 0.00 N ATOM 1220 CA LEU A 80 -6.159 -2.428 14.950 1.00 0.00 C ATOM 1221 C LEU A 80 -5.389 -3.706 15.265 1.00 0.00 C ATOM 1222 O LEU A 80 -4.506 -4.113 14.509 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.476 -1.231 15.612 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.898 -0.179 14.664 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -5.969 0.822 14.260 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -3.718 0.532 15.312 1.00 0.00 C ATOM 0 H LEU A 80 -7.871 -1.733 15.943 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.162 -2.284 13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.198 -0.743 16.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.670 -1.602 16.245 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.544 -0.683 13.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.539 1.563 13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.782 0.301 13.755 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.354 1.321 15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.319 1.277 14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.047 1.024 16.227 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.941 -0.195 15.550 1.00 0.00 H new ATOM 1238 N ASP A 81 -5.729 -4.336 16.384 1.00 0.00 N ATOM 1239 CA ASP A 81 -5.072 -5.570 16.797 1.00 0.00 C ATOM 1240 C ASP A 81 -5.103 -6.604 15.677 1.00 0.00 C ATOM 1241 O ASP A 81 -4.221 -7.457 15.582 1.00 0.00 O ATOM 1242 CB ASP A 81 -5.743 -6.136 18.050 1.00 0.00 C ATOM 1243 CG ASP A 81 -4.961 -5.834 19.313 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -5.016 -4.679 19.782 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -4.294 -6.754 19.832 1.00 0.00 O ATOM 0 H ASP A 81 -6.456 -4.012 17.022 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.031 -5.339 17.025 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.747 -5.721 18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.853 -7.215 17.944 1.00 0.00 H new ATOM 1250 N GLU A 82 -6.125 -6.522 14.830 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.271 -7.453 13.717 1.00 0.00 C ATOM 1252 C GLU A 82 -5.557 -6.930 12.474 1.00 0.00 C ATOM 1253 O GLU A 82 -5.069 -7.707 11.653 1.00 0.00 O ATOM 1254 CB GLU A 82 -7.752 -7.685 13.409 1.00 0.00 C ATOM 1255 CG GLU A 82 -8.344 -6.657 12.460 1.00 0.00 C ATOM 1256 CD GLU A 82 -9.849 -6.530 12.602 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -10.415 -7.176 13.508 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -10.460 -5.785 11.808 1.00 0.00 O ATOM 0 H GLU A 82 -6.863 -5.821 14.893 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.815 -8.400 14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.873 -8.678 12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.315 -7.672 14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.882 -5.687 12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.102 -6.933 11.434 1.00 0.00 H new ATOM 1265 N TRP A 83 -5.501 -5.610 12.343 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.848 -4.983 11.199 1.00 0.00 C ATOM 1267 C TRP A 83 -3.429 -5.514 11.024 1.00 0.00 C ATOM 1268 O TRP A 83 -2.981 -5.756 9.904 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.819 -3.464 11.372 1.00 0.00 C ATOM 1270 CG TRP A 83 -6.089 -2.793 10.944 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -7.343 -3.333 10.950 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.227 -1.458 10.445 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -8.253 -2.414 10.485 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.594 -1.256 10.170 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.330 -0.413 10.207 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.081 -0.052 9.667 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.815 0.780 9.708 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.180 0.954 9.443 1.00 0.00 C ATOM 0 H TRP A 83 -5.899 -4.953 13.014 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.421 -5.229 10.305 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -4.627 -3.228 12.419 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.989 -3.056 10.796 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.584 -4.335 11.273 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.257 -2.569 10.390 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.276 -0.536 10.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.132 0.083 9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.130 1.593 9.519 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.528 1.900 9.055 1.00 0.00 H new ATOM 1289 N SER A 84 -2.727 -5.694 12.139 1.00 0.00 N ATOM 1290 CA SER A 84 -1.358 -6.193 12.107 1.00 0.00 C ATOM 1291 C SER A 84 -1.323 -7.658 11.681 1.00 0.00 C ATOM 1292 O SER A 84 -0.472 -8.067 10.891 1.00 0.00 O ATOM 1293 CB SER A 84 -0.703 -6.034 13.481 1.00 0.00 C ATOM 1294 OG SER A 84 0.474 -5.249 13.397 1.00 0.00 O ATOM 0 H SER A 84 -3.084 -5.502 13.075 1.00 0.00 H new ATOM 0 HA SER A 84 -0.801 -5.607 11.376 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.406 -5.568 14.171 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.461 -7.016 13.888 1.00 0.00 H new ATOM 0 HG SER A 84 0.873 -5.161 14.288 1.00 0.00 H new ATOM 1300 N VAL A 85 -2.255 -8.444 12.211 1.00 0.00 N ATOM 1301 CA VAL A 85 -2.334 -9.863 11.886 1.00 0.00 C ATOM 1302 C VAL A 85 -3.412 -10.129 10.843 1.00 0.00 C ATOM 1303 O VAL A 85 -4.086 -11.158 10.880 1.00 0.00 O ATOM 1304 CB VAL A 85 -2.627 -10.710 13.139 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -4.086 -10.574 13.546 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.267 -12.168 12.892 1.00 0.00 C ATOM 0 H VAL A 85 -2.966 -8.122 12.868 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.363 -10.149 11.481 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.010 -10.341 13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.274 -11.179 14.433 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.307 -9.529 13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.724 -10.916 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.480 -12.752 13.787 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.856 -12.552 12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.206 -12.245 12.652 1.00 0.00 H new ATOM 1316 N ALA A 86 -3.570 -9.194 9.911 1.00 0.00 N ATOM 1317 CA ALA A 86 -4.565 -9.329 8.855 1.00 0.00 C ATOM 1318 C ALA A 86 -3.924 -9.793 7.552 1.00 0.00 C ATOM 1319 O ALA A 86 -2.725 -10.070 7.502 1.00 0.00 O ATOM 1320 CB ALA A 86 -5.294 -8.010 8.645 1.00 0.00 C ATOM 0 H ALA A 86 -3.021 -8.335 9.866 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.286 -10.086 9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.034 -8.125 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.793 -7.719 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.577 -7.239 8.362 1.00 0.00 H new ATOM 1326 N THR A 87 -4.730 -9.878 6.498 1.00 0.00 N ATOM 1327 CA THR A 87 -4.241 -10.312 5.195 1.00 0.00 C ATOM 1328 C THR A 87 -4.573 -9.289 4.115 1.00 0.00 C ATOM 1329 O THR A 87 -5.689 -9.260 3.596 1.00 0.00 O ATOM 1330 CB THR A 87 -4.837 -11.675 4.796 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.929 -12.524 5.945 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.986 -12.346 3.729 1.00 0.00 C ATOM 0 H THR A 87 -5.724 -9.652 6.521 1.00 0.00 H new ATOM 0 HA THR A 87 -3.159 -10.409 5.280 1.00 0.00 H new ATOM 0 HB THR A 87 -5.834 -11.506 4.389 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.310 -13.388 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.427 -13.307 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.943 -11.710 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.978 -12.503 4.113 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.598 -8.450 3.780 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.788 -7.425 2.761 1.00 0.00 C ATOM 1342 C PHE A 88 -3.523 -7.987 1.368 1.00 0.00 C ATOM 1343 O PHE A 88 -2.380 -8.031 0.911 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.865 -6.234 3.027 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.388 -5.291 4.073 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.700 -5.749 5.343 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.569 -3.948 3.786 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.181 -4.884 6.308 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.050 -3.079 4.747 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.357 -3.548 6.009 1.00 0.00 C ATOM 0 H PHE A 88 -2.668 -8.460 4.200 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.824 -7.090 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.888 -6.604 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.716 -5.686 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.566 -6.794 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.332 -3.576 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.419 -5.253 7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.186 -2.034 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.734 -2.871 6.761 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.586 -8.416 0.697 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.469 -8.978 -0.643 1.00 0.00 C ATOM 1362 C TYR A 89 -4.334 -7.875 -1.687 1.00 0.00 C ATOM 1363 O TYR A 89 -5.191 -6.995 -1.793 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.685 -9.851 -0.961 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.757 -11.113 -0.132 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.969 -12.215 -0.438 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.614 -11.204 0.959 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.032 -13.371 0.316 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.683 -12.355 1.719 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.891 -13.436 1.394 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.956 -14.585 2.148 1.00 0.00 O ATOM 0 H TYR A 89 -5.539 -8.385 1.059 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.570 -9.594 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.592 -9.268 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.662 -10.121 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.295 -12.167 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.237 -10.360 1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.413 -14.219 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.354 -12.408 2.564 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.608 -14.466 2.870 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.254 -7.927 -2.458 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.005 -6.933 -3.496 1.00 0.00 C ATOM 1383 C LEU A 90 -3.811 -7.244 -4.753 1.00 0.00 C ATOM 1384 O LEU A 90 -3.980 -8.406 -5.123 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.514 -6.880 -3.833 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.598 -6.330 -2.739 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.145 -5.021 -2.193 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.430 -7.348 -1.621 1.00 0.00 C ATOM 0 H LEU A 90 -2.536 -8.648 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.320 -5.961 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.183 -7.888 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.385 -6.270 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 90 0.382 -6.136 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.480 -4.645 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.211 -4.290 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.137 -5.188 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.225 -6.939 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.403 -7.575 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.009 -8.261 -2.023 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.306 -6.198 -5.406 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.094 -6.360 -6.623 1.00 0.00 C ATOM 1402 C PHE A 91 -4.924 -5.155 -7.544 1.00 0.00 C ATOM 1403 O PHE A 91 -4.176 -4.227 -7.239 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.572 -6.548 -6.277 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.049 -7.963 -6.435 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.888 -8.881 -5.410 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.659 -8.376 -7.609 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.326 -10.184 -5.552 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.100 -9.678 -7.756 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.932 -10.583 -6.727 1.00 0.00 C ATOM 0 H PHE A 91 -4.176 -5.230 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.735 -7.247 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.739 -6.229 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.172 -5.898 -6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.415 -8.575 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.791 -7.673 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.195 -10.889 -4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.576 -9.987 -8.675 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.274 -11.601 -6.841 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.625 -5.178 -8.673 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.554 -4.089 -9.639 1.00 0.00 C ATOM 1422 C ASP A 92 -6.930 -3.794 -10.229 1.00 0.00 C ATOM 1423 O ASP A 92 -7.920 -4.432 -9.868 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.569 -4.434 -10.758 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.134 -4.120 -10.383 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.925 -3.411 -9.377 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.220 -4.586 -11.096 1.00 0.00 O ATOM 0 H ASP A 92 -6.249 -5.939 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.203 -3.198 -9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.655 -5.493 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.836 -3.879 -11.657 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.984 -2.825 -11.135 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.239 -2.446 -11.775 1.00 0.00 C ATOM 1434 C ASP A 93 -8.731 -3.551 -12.704 1.00 0.00 C ATOM 1435 O ASP A 93 -9.905 -3.591 -13.069 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.063 -1.144 -12.559 1.00 0.00 C ATOM 1437 CG ASP A 93 -9.363 -0.653 -13.164 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -10.377 -0.611 -12.437 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -9.367 -0.312 -14.366 1.00 0.00 O ATOM 0 H ASP A 93 -6.174 -2.287 -11.443 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.985 -2.294 -10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.661 -0.377 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.331 -1.297 -13.352 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.824 -4.446 -13.082 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.166 -5.552 -13.968 1.00 0.00 C ATOM 1446 C ALA A 94 -8.522 -6.803 -13.171 1.00 0.00 C ATOM 1447 O ALA A 94 -8.874 -7.835 -13.741 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.016 -5.840 -14.921 1.00 0.00 C ATOM 0 H ALA A 94 -6.847 -4.427 -12.789 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.041 -5.262 -14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.285 -6.668 -15.577 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.810 -4.954 -15.521 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.127 -6.105 -14.349 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.426 -6.704 -11.849 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.740 -7.835 -10.996 1.00 0.00 C ATOM 1456 C GLY A 95 -7.593 -8.821 -10.894 1.00 0.00 C ATOM 1457 O GLY A 95 -7.809 -10.031 -10.843 1.00 0.00 O ATOM 0 H GLY A 95 -8.136 -5.861 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.995 -7.475 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.621 -8.346 -11.385 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.369 -8.302 -10.866 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.184 -9.146 -10.773 1.00 0.00 C ATOM 1463 C GLU A 96 -4.249 -8.652 -9.673 1.00 0.00 C ATOM 1464 O GLU A 96 -4.085 -7.448 -9.479 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.444 -9.173 -12.112 1.00 0.00 C ATOM 1466 CG GLU A 96 -3.971 -7.805 -12.574 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.626 -7.775 -14.050 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -4.172 -8.608 -14.804 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -2.809 -6.920 -14.452 1.00 0.00 O ATOM 0 H GLU A 96 -6.173 -7.302 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.508 -10.157 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.583 -9.837 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.101 -9.597 -12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.748 -7.068 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.096 -7.512 -11.994 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.641 -9.591 -8.955 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.724 -9.252 -7.873 1.00 0.00 C ATOM 1478 C GLU A 97 -1.334 -8.935 -8.417 1.00 0.00 C ATOM 1479 O GLU A 97 -0.418 -9.751 -8.321 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.640 -10.400 -6.866 1.00 0.00 C ATOM 1481 CG GLU A 97 -1.710 -10.120 -5.698 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.280 -10.586 -4.373 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.194 -11.436 -4.387 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -1.812 -10.100 -3.322 1.00 0.00 O ATOM 0 H GLU A 97 -3.767 -10.592 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.109 -8.365 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.639 -10.609 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.302 -11.299 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.755 -10.615 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.510 -9.050 -5.647 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.186 -7.745 -8.990 1.00 0.00 N ATOM 1492 CA ASN A 98 0.092 -7.320 -9.551 1.00 0.00 C ATOM 1493 C ASN A 98 0.543 -5.998 -8.937 1.00 0.00 C ATOM 1494 O ASN A 98 -0.116 -5.457 -8.049 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.016 -7.180 -11.070 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.244 -8.512 -11.759 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.002 -8.492 -12.849 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.257 -9.546 -11.317 1.00 0.00 N flip ATOM 0 H ASN A 98 -1.935 -7.058 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 98 0.836 -8.081 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.836 -6.504 -11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.897 -6.726 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.833 -9.514 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.096 -10.434 -11.792 1.00 0.00 H new ATOM 1505 N PHE A 99 1.669 -5.483 -9.418 1.00 0.00 N ATOM 1506 CA PHE A 99 2.209 -4.224 -8.917 1.00 0.00 C ATOM 1507 C PHE A 99 2.228 -3.165 -10.015 1.00 0.00 C ATOM 1508 O PHE A 99 3.285 -2.649 -10.377 1.00 0.00 O ATOM 1509 CB PHE A 99 3.623 -4.433 -8.370 1.00 0.00 C ATOM 1510 CG PHE A 99 4.487 -5.286 -9.253 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.467 -6.667 -9.138 1.00 0.00 C ATOM 1512 CD2 PHE A 99 5.320 -4.708 -10.197 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.263 -7.455 -9.949 1.00 0.00 C ATOM 1514 CE2 PHE A 99 6.118 -5.491 -11.011 1.00 0.00 C ATOM 1515 CZ PHE A 99 6.088 -6.866 -10.887 1.00 0.00 C ATOM 0 H PHE A 99 2.226 -5.918 -10.154 1.00 0.00 H new ATOM 0 HA PHE A 99 1.563 -3.875 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.100 -3.462 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.558 -4.894 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.823 -7.133 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.347 -3.633 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.240 -8.530 -9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.764 -5.028 -11.742 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.709 -7.480 -11.523 1.00 0.00 H new ATOM 1525 N SER A 100 1.050 -2.847 -10.542 1.00 0.00 N ATOM 1526 CA SER A 100 0.930 -1.853 -11.603 1.00 0.00 C ATOM 1527 C SER A 100 0.992 -0.440 -11.032 1.00 0.00 C ATOM 1528 O SER A 100 1.378 -0.240 -9.880 1.00 0.00 O ATOM 1529 CB SER A 100 -0.380 -2.049 -12.369 1.00 0.00 C ATOM 1530 OG SER A 100 -0.362 -1.344 -13.598 1.00 0.00 O ATOM 0 H SER A 100 0.165 -3.263 -10.252 1.00 0.00 H new ATOM 0 HA SER A 100 1.767 -1.986 -12.289 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.539 -3.111 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.216 -1.704 -11.760 1.00 0.00 H new ATOM 0 HG SER A 100 -1.209 -1.487 -14.069 1.00 0.00 H new ATOM 1536 N SER A 101 0.608 0.538 -11.847 1.00 0.00 N ATOM 1537 CA SER A 101 0.623 1.934 -11.425 1.00 0.00 C ATOM 1538 C SER A 101 -0.024 2.094 -10.053 1.00 0.00 C ATOM 1539 O SER A 101 0.386 2.938 -9.256 1.00 0.00 O ATOM 1540 CB SER A 101 -0.106 2.806 -12.450 1.00 0.00 C ATOM 1541 OG SER A 101 0.805 3.630 -13.157 1.00 0.00 O ATOM 0 H SER A 101 0.283 0.389 -12.802 1.00 0.00 H new ATOM 0 HA SER A 101 1.662 2.256 -11.357 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.648 2.172 -13.152 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.846 3.427 -11.944 1.00 0.00 H new ATOM 0 HG SER A 101 0.315 4.176 -13.807 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.038 1.278 -9.785 1.00 0.00 N ATOM 1548 CA ARG A 102 -1.744 1.329 -8.510 1.00 0.00 C ATOM 1549 C ARG A 102 -1.960 -0.074 -7.952 1.00 0.00 C ATOM 1550 O ARG A 102 -1.471 -1.056 -8.509 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.090 2.037 -8.676 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.176 1.149 -9.261 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.500 1.890 -9.375 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.162 1.634 -10.651 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.097 2.425 -11.165 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.478 3.516 -10.515 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.653 2.126 -12.332 1.00 0.00 N ATOM 0 H ARG A 102 -1.389 0.574 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.131 1.891 -7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.419 2.407 -7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.957 2.906 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.869 0.797 -10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.304 0.267 -8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.156 1.587 -8.559 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.327 2.961 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.892 0.802 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.053 3.750 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.196 4.122 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.363 1.288 -12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.371 2.734 -12.726 1.00 0.00 H new ATOM 1571 N MET A 103 -2.695 -0.159 -6.848 1.00 0.00 N ATOM 1572 CA MET A 103 -2.977 -1.443 -6.215 1.00 0.00 C ATOM 1573 C MET A 103 -4.144 -1.324 -5.240 1.00 0.00 C ATOM 1574 O MET A 103 -4.343 -0.279 -4.620 1.00 0.00 O ATOM 1575 CB MET A 103 -1.736 -1.957 -5.482 1.00 0.00 C ATOM 1576 CG MET A 103 -0.866 -2.872 -6.329 1.00 0.00 C ATOM 1577 SD MET A 103 0.204 -3.929 -5.335 1.00 0.00 S ATOM 1578 CE MET A 103 1.172 -2.703 -4.458 1.00 0.00 C ATOM 0 H MET A 103 -3.106 0.645 -6.373 1.00 0.00 H new ATOM 0 HA MET A 103 -3.250 -2.153 -6.996 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.140 -1.106 -5.152 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.049 -2.493 -4.586 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.504 -3.495 -6.957 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.253 -2.268 -6.998 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.346 -3.040 -3.436 1.00 0.00 H new ATOM 0 HE2 MET A 103 2.129 -2.566 -4.962 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.632 -1.757 -4.441 1.00 0.00 H new ATOM 1588 N TYR A 104 -4.913 -2.399 -5.111 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.062 -2.414 -4.214 1.00 0.00 C ATOM 1590 C TYR A 104 -5.846 -3.397 -3.068 1.00 0.00 C ATOM 1591 O TYR A 104 -5.285 -4.477 -3.259 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.332 -2.782 -4.984 1.00 0.00 C ATOM 1593 CG TYR A 104 -7.754 -1.736 -5.991 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -7.699 -0.383 -5.681 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.208 -2.101 -7.252 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.084 0.576 -6.597 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.594 -1.149 -8.176 1.00 0.00 C ATOM 1598 CZ TYR A 104 -8.530 0.188 -7.843 1.00 0.00 C ATOM 1599 OH TYR A 104 -8.915 1.140 -8.760 1.00 0.00 O ATOM 0 H TYR A 104 -4.761 -3.272 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.176 -1.414 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.172 -3.728 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.144 -2.940 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.349 -0.076 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.260 -3.147 -7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.036 1.624 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.944 -1.450 -9.153 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.202 0.700 -9.587 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.295 -3.016 -1.877 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.151 -3.863 -0.698 1.00 0.00 C ATOM 1611 C CYS A 105 -7.503 -4.412 -0.256 1.00 0.00 C ATOM 1612 O CYS A 105 -8.287 -3.716 0.390 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.508 -3.076 0.445 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.289 -1.479 0.774 1.00 0.00 S ATOM 0 H CYS A 105 -6.762 -2.126 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.506 -4.702 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.544 -3.679 1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.456 -2.912 0.212 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.581 -1.624 0.797 1.00 0.00 H new ATOM 1620 N SER A 106 -7.771 -5.666 -0.609 1.00 0.00 N ATOM 1621 CA SER A 106 -9.031 -6.307 -0.253 1.00 0.00 C ATOM 1622 C SER A 106 -8.856 -7.210 0.964 1.00 0.00 C ATOM 1623 O SER A 106 -7.858 -7.920 1.087 1.00 0.00 O ATOM 1624 CB SER A 106 -9.564 -7.122 -1.433 1.00 0.00 C ATOM 1625 OG SER A 106 -8.639 -7.130 -2.507 1.00 0.00 O ATOM 0 H SER A 106 -7.132 -6.257 -1.141 1.00 0.00 H new ATOM 0 HA SER A 106 -9.750 -5.526 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.763 -8.145 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.513 -6.703 -1.769 1.00 0.00 H new ATOM 0 HG SER A 106 -9.002 -7.659 -3.248 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.834 -7.177 1.863 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.789 -7.991 3.072 1.00 0.00 C ATOM 1633 C PHE A 107 -9.996 -9.466 2.743 1.00 0.00 C ATOM 1634 O PHE A 107 -9.808 -10.336 3.594 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.854 -7.524 4.067 1.00 0.00 C ATOM 1636 CG PHE A 107 -12.260 -7.746 3.587 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.881 -8.973 3.764 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.961 -6.729 2.960 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -14.174 -9.180 3.322 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -14.255 -6.930 2.517 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.863 -8.157 2.700 1.00 0.00 C ATOM 0 H PHE A 107 -10.667 -6.595 1.777 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.804 -7.873 3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.713 -8.050 5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.711 -6.463 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -12.349 -9.776 4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.491 -5.767 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.646 -10.141 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.790 -6.129 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.875 -8.316 2.357 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.386 -9.740 1.503 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.622 -11.109 1.061 1.00 0.00 C ATOM 1653 C TYR A 108 -9.583 -11.535 0.028 1.00 0.00 C ATOM 1654 O TYR A 108 -8.994 -10.712 -0.674 1.00 0.00 O ATOM 1655 CB TYR A 108 -12.027 -11.242 0.472 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.223 -10.465 -0.810 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.431 -9.091 -0.787 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.200 -11.104 -2.043 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.611 -8.377 -1.956 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.378 -10.397 -3.217 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.583 -9.034 -3.168 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.761 -8.327 -4.335 1.00 0.00 O ATOM 0 H TYR A 108 -10.545 -9.032 0.786 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.535 -11.764 1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.235 -12.295 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.754 -10.901 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.452 -8.573 0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.040 -12.171 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.773 -7.310 -1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.357 -10.909 -4.168 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.712 -8.939 -5.099 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.352 -12.853 -0.070 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.386 -13.420 -1.015 1.00 0.00 C ATOM 1674 C PRO A 109 -8.848 -13.294 -2.462 1.00 0.00 C ATOM 1675 O PRO A 109 -10.004 -12.979 -2.745 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.309 -14.892 -0.603 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.616 -15.170 0.054 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.018 -13.891 0.735 1.00 0.00 C ATOM 0 HA PRO A 109 -7.427 -12.903 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.155 -15.538 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.477 -15.069 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.364 -15.474 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.526 -15.984 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.100 -13.762 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.688 -13.868 1.774 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.926 -13.547 -3.403 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.217 -13.470 -4.838 1.00 0.00 C ATOM 1688 C PRO A 110 -9.141 -14.590 -5.303 1.00 0.00 C ATOM 1689 O PRO A 110 -10.128 -14.346 -5.997 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.838 -13.610 -5.487 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.023 -14.356 -4.489 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.529 -13.928 -3.139 1.00 0.00 C ATOM 0 HA PRO A 110 -8.735 -12.548 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.898 -14.150 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.402 -12.635 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.131 -15.432 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.963 -14.126 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.464 -14.736 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.953 -13.093 -2.740 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.815 -15.819 -4.916 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.617 -16.977 -5.293 1.00 0.00 C ATOM 1702 C ASP A 111 -9.024 -18.259 -4.715 1.00 0.00 C ATOM 1703 O ASP A 111 -9.753 -19.183 -4.355 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.712 -17.085 -6.815 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.128 -16.894 -7.322 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.040 -17.568 -6.800 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.323 -16.072 -8.242 1.00 0.00 O ATOM 0 H ASP A 111 -8.001 -16.039 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.618 -16.844 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.062 -16.338 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.345 -18.062 -7.131 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.699 -18.307 -4.631 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.009 -19.476 -4.099 1.00 0.00 C ATOM 1714 C GLU A 112 -7.577 -19.870 -2.738 1.00 0.00 C ATOM 1715 O GLU A 112 -7.329 -20.971 -2.247 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.509 -19.201 -3.978 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.641 -20.401 -4.314 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.351 -20.514 -5.799 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -5.254 -20.202 -6.604 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.223 -20.914 -6.155 1.00 0.00 O ATOM 0 H GLU A 112 -7.082 -17.550 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.164 -20.303 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.245 -18.376 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.289 -18.877 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.700 -20.328 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.137 -21.310 -3.974 1.00 0.00 H new