USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 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 90 GLN : amide:sc= -0.747! K(o=0.44!,f=-1.3) USER MOD Set 1.2: A 92 TYR OH : rot -82:sc= 1.19 USER MOD Single : A 1 ALA N :NH3+ -129:sc= 0.0584 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.135 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= -0.239 (180deg=-0.24) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -151:sc= -1.93! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.79 K(o=-2.8,f=-6.4!) USER MOD Single : A 20 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.83) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.452 (180deg=0.366) USER MOD Single : A 23 THR OG1 : rot 24:sc= 0.113 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 95:sc= 0.0667 USER MOD Single : A 28 SER OG : rot -5:sc= 0.127 USER MOD Single : A 29 ASN : amide:sc=-0.000147 X(o=-0.00015,f=-0.49) USER MOD Single : A 32 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.22) USER MOD Single : A 45 TYR OH : rot 160:sc= 1.17 USER MOD Single : A 46 SER OG : rot 25:sc= 0.32 USER MOD Single : A 51 THR OG1 : rot 24:sc= -1.59! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 1.25 (180deg=-0.663) USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= -1.83! (180deg=-4.48!) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= -1.22 (180deg=-3.55!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= 0.0471 (180deg=-1.27) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 101:sc= 0.756 USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 94 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.12) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= 0.747 (180deg=0.485) USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= 1.34 (180deg=0.141) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.148 -12.781 3.861 1.00 0.00 N ATOM 2 CA ALA A 1 7.938 -11.932 3.904 1.00 0.00 C ATOM 3 C ALA A 1 8.235 -10.633 4.646 1.00 0.00 C ATOM 4 O ALA A 1 9.370 -10.152 4.630 1.00 0.00 O ATOM 5 CB ALA A 1 6.792 -12.685 4.562 1.00 0.00 C ATOM 0 H1 ALA A 1 9.326 -13.083 2.882 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.964 -12.240 4.210 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.006 -13.619 4.461 1.00 0.00 H new ATOM 0 HA ALA A 1 7.641 -11.683 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.907 -12.050 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.574 -13.588 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.073 -12.958 5.579 1.00 0.00 H new ATOM 13 N PHE A 2 7.228 -10.068 5.300 1.00 0.00 N ATOM 14 CA PHE A 2 7.411 -8.835 6.049 1.00 0.00 C ATOM 15 C PHE A 2 7.470 -9.121 7.549 1.00 0.00 C ATOM 16 O PHE A 2 8.501 -9.567 8.053 1.00 0.00 O ATOM 17 CB PHE A 2 6.303 -7.823 5.728 1.00 0.00 C ATOM 18 CG PHE A 2 6.370 -7.265 4.329 1.00 0.00 C ATOM 19 CD1 PHE A 2 6.097 -8.065 3.228 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.694 -5.935 4.117 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.152 -7.551 1.948 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.749 -5.415 2.836 1.00 0.00 C ATOM 23 CZ PHE A 2 6.479 -6.224 1.752 1.00 0.00 C ATOM 0 H PHE A 2 6.280 -10.444 5.326 1.00 0.00 H new ATOM 0 HA PHE A 2 8.361 -8.394 5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.335 -8.302 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.360 -7.000 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.838 -9.103 3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.906 -5.296 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.939 -8.186 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.003 -4.376 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.523 -5.820 0.751 1.00 0.00 H new ATOM 32 N ASP A 3 6.388 -8.795 8.259 1.00 0.00 N ATOM 33 CA ASP A 3 6.321 -8.943 9.718 1.00 0.00 C ATOM 34 C ASP A 3 7.376 -8.061 10.375 1.00 0.00 C ATOM 35 O ASP A 3 8.257 -8.536 11.096 1.00 0.00 O ATOM 36 CB ASP A 3 6.509 -10.404 10.148 1.00 0.00 C ATOM 37 CG ASP A 3 5.891 -10.696 11.503 1.00 0.00 C ATOM 38 OD1 ASP A 3 6.256 -10.029 12.493 1.00 0.00 O ATOM 39 OD2 ASP A 3 5.030 -11.594 11.578 1.00 0.00 O ATOM 0 H ASP A 3 5.535 -8.422 7.842 1.00 0.00 H new ATOM 0 HA ASP A 3 5.329 -8.629 10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.063 -11.060 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.574 -10.636 10.180 1.00 0.00 H new ATOM 43 N GLY A 4 7.354 -6.791 10.018 1.00 0.00 N ATOM 44 CA GLY A 4 8.366 -5.874 10.482 1.00 0.00 C ATOM 45 C GLY A 4 7.971 -4.438 10.242 1.00 0.00 C ATOM 46 O GLY A 4 7.028 -4.167 9.493 1.00 0.00 O ATOM 0 H GLY A 4 6.648 -6.376 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.538 -6.031 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.307 -6.082 9.973 1.00 0.00 H new ATOM 50 N THR A 5 8.695 -3.520 10.848 1.00 0.00 N ATOM 51 CA THR A 5 8.439 -2.111 10.650 1.00 0.00 C ATOM 52 C THR A 5 9.452 -1.541 9.667 1.00 0.00 C ATOM 53 O THR A 5 10.660 -1.727 9.824 1.00 0.00 O ATOM 54 CB THR A 5 8.523 -1.335 11.976 1.00 0.00 C ATOM 55 OG1 THR A 5 9.773 -1.606 12.617 1.00 0.00 O ATOM 56 CG2 THR A 5 7.381 -1.714 12.903 1.00 0.00 C ATOM 0 H THR A 5 9.466 -3.726 11.483 1.00 0.00 H new ATOM 0 HA THR A 5 7.430 -2.003 10.253 1.00 0.00 H new ATOM 0 HB THR A 5 8.447 -0.271 11.754 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.433 -1.876 11.945 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.465 -1.151 13.833 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.430 -1.482 12.423 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.427 -2.781 13.120 1.00 0.00 H new ATOM 64 N TRP A 6 8.951 -0.949 8.598 1.00 0.00 N ATOM 65 CA TRP A 6 9.804 -0.427 7.540 1.00 0.00 C ATOM 66 C TRP A 6 9.646 1.085 7.452 1.00 0.00 C ATOM 67 O TRP A 6 8.660 1.565 6.904 1.00 0.00 O ATOM 68 CB TRP A 6 9.427 -1.058 6.188 1.00 0.00 C ATOM 69 CG TRP A 6 9.664 -2.544 6.088 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.603 -3.466 7.095 1.00 0.00 C ATOM 71 CD2 TRP A 6 9.968 -3.282 4.897 1.00 0.00 C ATOM 72 NE1 TRP A 6 9.872 -4.721 6.607 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.097 -4.636 5.261 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.154 -2.929 3.558 1.00 0.00 C ATOM 75 CZ2 TRP A 6 10.398 -5.634 4.338 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.453 -3.922 2.643 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.571 -5.258 3.036 1.00 0.00 C ATOM 0 H TRP A 6 7.953 -0.816 8.437 1.00 0.00 H new ATOM 0 HA TRP A 6 10.840 -0.676 7.772 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.373 -0.860 5.993 1.00 0.00 H new ATOM 0 HB3 TRP A 6 9.995 -0.561 5.402 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.376 -3.240 8.126 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.900 -5.578 7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.066 -1.900 3.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.491 -6.667 4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 10.598 -3.660 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.804 -6.009 2.295 1.00 0.00 H new ATOM 87 N LYS A 7 10.623 1.833 7.966 1.00 0.00 N ATOM 88 CA LYS A 7 10.554 3.290 7.946 1.00 0.00 C ATOM 89 C LYS A 7 11.884 3.958 8.263 1.00 0.00 C ATOM 90 O LYS A 7 12.818 3.341 8.778 1.00 0.00 O ATOM 91 CB LYS A 7 9.498 3.832 8.919 1.00 0.00 C ATOM 92 CG LYS A 7 8.156 4.126 8.268 1.00 0.00 C ATOM 93 CD LYS A 7 8.318 4.865 6.950 1.00 0.00 C ATOM 94 CE LYS A 7 8.641 6.336 7.143 1.00 0.00 C ATOM 95 NZ LYS A 7 9.208 6.958 5.916 1.00 0.00 N ATOM 0 H LYS A 7 11.466 1.455 8.398 1.00 0.00 H new ATOM 0 HA LYS A 7 10.275 3.537 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.351 3.109 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.876 4.745 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.622 3.191 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.546 4.722 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.112 4.395 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.400 4.771 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.735 6.869 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.350 6.445 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.396 7.965 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.096 6.479 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.529 6.865 5.134 1.00 0.00 H new ATOM 105 N VAL A 8 11.884 5.265 8.050 1.00 0.00 N ATOM 106 CA VAL A 8 12.976 6.138 8.434 1.00 0.00 C ATOM 107 C VAL A 8 12.601 6.812 9.746 1.00 0.00 C ATOM 108 O VAL A 8 11.413 7.040 9.995 1.00 0.00 O ATOM 109 CB VAL A 8 13.203 7.239 7.374 1.00 0.00 C ATOM 110 CG1 VAL A 8 14.387 8.123 7.740 1.00 0.00 C ATOM 111 CG2 VAL A 8 13.399 6.632 5.996 1.00 0.00 C ATOM 0 H VAL A 8 11.111 5.754 7.598 1.00 0.00 H new ATOM 0 HA VAL A 8 13.887 5.547 8.529 1.00 0.00 H new ATOM 0 HB VAL A 8 12.310 7.864 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.521 8.888 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.201 8.601 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.289 7.514 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.557 7.427 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.268 5.974 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.513 6.059 5.722 1.00 0.00 H new ATOM 121 N GLY A 9 13.588 7.002 10.619 1.00 0.00 N ATOM 122 CA GLY A 9 13.337 7.538 11.949 1.00 0.00 C ATOM 123 C GLY A 9 12.399 8.727 11.946 1.00 0.00 C ATOM 124 O GLY A 9 12.581 9.673 11.176 1.00 0.00 O ATOM 0 H GLY A 9 14.567 6.792 10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.916 6.753 12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.285 7.832 12.400 1.00 0.00 H new ATOM 128 N GLY A 10 11.346 8.630 12.739 1.00 0.00 N ATOM 129 CA GLY A 10 10.340 9.664 12.774 1.00 0.00 C ATOM 130 C GLY A 10 8.957 9.109 12.521 1.00 0.00 C ATOM 131 O GLY A 10 8.032 9.345 13.297 1.00 0.00 O ATOM 0 H GLY A 10 11.170 7.844 13.365 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.361 10.159 13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.571 10.421 12.025 1.00 0.00 H new ATOM 135 N LEU A 11 8.827 8.325 11.458 1.00 0.00 N ATOM 136 CA LEU A 11 7.558 7.695 11.125 1.00 0.00 C ATOM 137 C LEU A 11 7.651 6.201 11.396 1.00 0.00 C ATOM 138 O LEU A 11 8.750 5.650 11.477 1.00 0.00 O ATOM 139 CB LEU A 11 7.189 7.915 9.649 1.00 0.00 C ATOM 140 CG LEU A 11 7.710 9.203 8.987 1.00 0.00 C ATOM 141 CD1 LEU A 11 7.178 9.320 7.569 1.00 0.00 C ATOM 142 CD2 LEU A 11 7.315 10.433 9.790 1.00 0.00 C ATOM 0 H LEU A 11 9.587 8.111 10.812 1.00 0.00 H new ATOM 0 HA LEU A 11 6.783 8.149 11.743 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.560 7.065 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.102 7.906 9.566 1.00 0.00 H new ATOM 0 HG LEU A 11 8.798 9.147 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.555 10.236 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.508 8.461 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.089 9.347 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.697 11.327 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.229 10.491 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.736 10.363 10.793 1.00 0.00 H new ATOM 153 N LYS A 12 6.512 5.531 11.440 1.00 0.00 N ATOM 154 CA LYS A 12 6.505 4.086 11.593 1.00 0.00 C ATOM 155 C LYS A 12 5.557 3.440 10.594 1.00 0.00 C ATOM 156 O LYS A 12 4.439 3.906 10.379 1.00 0.00 O ATOM 157 CB LYS A 12 6.141 3.667 13.025 1.00 0.00 C ATOM 158 CG LYS A 12 4.755 4.095 13.482 1.00 0.00 C ATOM 159 CD LYS A 12 4.428 3.538 14.860 1.00 0.00 C ATOM 160 CE LYS A 12 5.440 3.990 15.901 1.00 0.00 C ATOM 161 NZ LYS A 12 5.165 3.403 17.239 1.00 0.00 N ATOM 0 H LYS A 12 5.589 5.959 11.373 1.00 0.00 H new ATOM 0 HA LYS A 12 7.517 3.735 11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.214 2.582 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.879 4.085 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.698 5.183 13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.011 3.752 12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.430 3.862 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.410 2.449 14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.442 3.705 15.580 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.425 5.078 15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.878 3.737 17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.219 3.695 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.205 2.366 17.178 1.00 0.00 H new ATOM 171 N LEU A 13 6.021 2.367 9.989 1.00 0.00 N ATOM 172 CA LEU A 13 5.228 1.606 9.046 1.00 0.00 C ATOM 173 C LEU A 13 5.365 0.145 9.410 1.00 0.00 C ATOM 174 O LEU A 13 6.455 -0.306 9.735 1.00 0.00 O ATOM 175 CB LEU A 13 5.705 1.856 7.606 1.00 0.00 C ATOM 176 CG LEU A 13 4.697 1.537 6.488 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.222 2.021 5.148 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.397 0.048 6.406 1.00 0.00 C ATOM 0 H LEU A 13 6.960 1.997 10.137 1.00 0.00 H new ATOM 0 HA LEU A 13 4.183 1.913 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.993 2.904 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.604 1.263 7.436 1.00 0.00 H new ATOM 0 HG LEU A 13 3.771 2.059 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.498 1.788 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.379 3.099 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.167 1.524 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.681 -0.135 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.318 -0.498 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.976 -0.291 7.353 1.00 0.00 H new ATOM 189 N THR A 14 4.258 -0.558 9.492 1.00 0.00 N ATOM 190 CA THR A 14 4.282 -1.933 9.940 1.00 0.00 C ATOM 191 C THR A 14 3.404 -2.804 9.059 1.00 0.00 C ATOM 192 O THR A 14 2.216 -2.534 8.884 1.00 0.00 O ATOM 193 CB THR A 14 3.801 -2.030 11.396 1.00 0.00 C ATOM 194 OG1 THR A 14 4.415 -0.989 12.166 1.00 0.00 O ATOM 195 CG2 THR A 14 4.143 -3.387 11.998 1.00 0.00 C ATOM 0 H THR A 14 3.332 -0.202 9.255 1.00 0.00 H new ATOM 0 HA THR A 14 5.310 -2.289 9.875 1.00 0.00 H new ATOM 0 HB THR A 14 2.717 -1.916 11.413 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.508 -1.282 13.097 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.791 -3.427 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.660 -4.174 11.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.223 -3.532 11.978 1.00 0.00 H new ATOM 203 N ILE A 15 3.988 -3.863 8.534 1.00 0.00 N ATOM 204 CA ILE A 15 3.255 -4.815 7.726 1.00 0.00 C ATOM 205 C ILE A 15 3.453 -6.205 8.296 1.00 0.00 C ATOM 206 O ILE A 15 4.583 -6.680 8.405 1.00 0.00 O ATOM 207 CB ILE A 15 3.723 -4.800 6.255 1.00 0.00 C ATOM 208 CG1 ILE A 15 3.612 -3.386 5.676 1.00 0.00 C ATOM 209 CG2 ILE A 15 2.904 -5.783 5.427 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.162 -3.254 4.272 1.00 0.00 C ATOM 0 H ILE A 15 4.976 -4.086 8.654 1.00 0.00 H new ATOM 0 HA ILE A 15 2.202 -4.535 7.747 1.00 0.00 H new ATOM 0 HB ILE A 15 4.768 -5.107 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.564 -3.085 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.142 -2.693 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.246 -5.761 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.028 -6.789 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.851 -5.504 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.048 -2.225 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.219 -3.522 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.617 -3.920 3.603 1.00 0.00 H new ATOM 221 N THR A 16 2.371 -6.834 8.699 1.00 0.00 N ATOM 222 CA THR A 16 2.446 -8.156 9.279 1.00 0.00 C ATOM 223 C THR A 16 1.423 -9.067 8.618 1.00 0.00 C ATOM 224 O THR A 16 0.255 -8.700 8.477 1.00 0.00 O ATOM 225 CB THR A 16 2.191 -8.112 10.799 1.00 0.00 C ATOM 226 OG1 THR A 16 3.017 -7.109 11.407 1.00 0.00 O ATOM 227 CG2 THR A 16 2.472 -9.461 11.445 1.00 0.00 C ATOM 0 H THR A 16 1.428 -6.451 8.635 1.00 0.00 H new ATOM 0 HA THR A 16 3.450 -8.544 9.110 1.00 0.00 H new ATOM 0 HB THR A 16 1.140 -7.867 10.955 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.848 -7.087 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.283 -9.398 12.517 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.821 -10.217 11.006 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.513 -9.736 11.276 1.00 0.00 H new ATOM 235 N GLN A 17 1.869 -10.230 8.173 1.00 0.00 N ATOM 236 CA GLN A 17 0.979 -11.166 7.513 1.00 0.00 C ATOM 237 C GLN A 17 0.780 -12.416 8.358 1.00 0.00 C ATOM 238 O GLN A 17 1.734 -12.996 8.877 1.00 0.00 O ATOM 239 CB GLN A 17 1.486 -11.543 6.111 1.00 0.00 C ATOM 240 CG GLN A 17 2.806 -12.309 6.080 1.00 0.00 C ATOM 241 CD GLN A 17 4.009 -11.461 6.448 1.00 0.00 C ATOM 242 OE1 GLN A 17 4.262 -10.420 5.844 1.00 0.00 O ATOM 243 NE2 GLN A 17 4.769 -11.906 7.433 1.00 0.00 N ATOM 0 H GLN A 17 2.835 -10.546 8.257 1.00 0.00 H new ATOM 0 HA GLN A 17 0.017 -10.667 7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.724 -12.145 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.600 -10.630 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.743 -13.153 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.954 -12.721 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.528 -12.774 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.597 -11.381 7.715 1.00 0.00 H new ATOM 250 N GLU A 18 -0.468 -12.832 8.460 1.00 0.00 N ATOM 251 CA GLU A 18 -0.824 -14.058 9.153 1.00 0.00 C ATOM 252 C GLU A 18 -1.228 -15.106 8.129 1.00 0.00 C ATOM 253 O GLU A 18 -2.336 -15.061 7.585 1.00 0.00 O ATOM 254 CB GLU A 18 -1.947 -13.788 10.161 1.00 0.00 C ATOM 255 CG GLU A 18 -2.939 -12.733 9.698 1.00 0.00 C ATOM 256 CD GLU A 18 -3.896 -12.307 10.791 1.00 0.00 C ATOM 257 OE1 GLU A 18 -3.430 -11.998 11.907 1.00 0.00 O ATOM 258 OE2 GLU A 18 -5.113 -12.240 10.530 1.00 0.00 O ATOM 0 H GLU A 18 -1.264 -12.331 8.065 1.00 0.00 H new ATOM 0 HA GLU A 18 0.032 -14.434 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.482 -14.718 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.507 -13.471 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.393 -11.860 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.509 -13.122 8.854 1.00 0.00 H new ATOM 263 N GLY A 19 -0.238 -15.873 7.688 1.00 0.00 N ATOM 264 CA GLY A 19 -0.430 -16.727 6.540 1.00 0.00 C ATOM 265 C GLY A 19 -0.355 -15.915 5.268 1.00 0.00 C ATOM 266 O GLY A 19 0.676 -15.306 4.975 1.00 0.00 O ATOM 0 H GLY A 19 0.691 -15.916 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.330 -17.508 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.397 -17.225 6.606 1.00 0.00 H new ATOM 270 N ASN A 20 -1.502 -15.702 4.651 1.00 0.00 N ATOM 271 CA ASN A 20 -1.596 -14.752 3.563 1.00 0.00 C ATOM 272 C ASN A 20 -2.672 -13.738 3.894 1.00 0.00 C ATOM 273 O ASN A 20 -3.862 -13.984 3.696 1.00 0.00 O ATOM 274 CB ASN A 20 -1.941 -15.451 2.242 1.00 0.00 C ATOM 275 CG ASN A 20 -0.844 -16.378 1.750 1.00 0.00 C ATOM 276 OD1 ASN A 20 -0.465 -17.332 2.431 1.00 0.00 O ATOM 277 ND2 ASN A 20 -0.333 -16.116 0.556 1.00 0.00 N ATOM 0 H ASN A 20 -2.377 -16.172 4.884 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.631 -14.261 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.860 -16.023 2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.139 -14.697 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.399 -16.714 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.672 -15.317 0.020 1.00 0.00 H new ATOM 283 N LYS A 21 -2.236 -12.600 4.388 1.00 0.00 N ATOM 284 CA LYS A 21 -3.126 -11.516 4.760 1.00 0.00 C ATOM 285 C LYS A 21 -2.279 -10.291 5.044 1.00 0.00 C ATOM 286 O LYS A 21 -1.507 -10.283 6.001 1.00 0.00 O ATOM 287 CB LYS A 21 -3.956 -11.915 5.985 1.00 0.00 C ATOM 288 CG LYS A 21 -4.960 -10.866 6.424 1.00 0.00 C ATOM 289 CD LYS A 21 -5.915 -11.422 7.470 1.00 0.00 C ATOM 290 CE LYS A 21 -6.555 -10.318 8.294 1.00 0.00 C ATOM 291 NZ LYS A 21 -5.588 -9.712 9.248 1.00 0.00 N ATOM 0 H LYS A 21 -1.249 -12.397 4.545 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.824 -11.295 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.488 -12.841 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.281 -12.125 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.433 -10.003 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.526 -10.516 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.693 -12.006 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.376 -12.102 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.943 -9.546 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.405 -10.721 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.051 -8.940 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.263 -10.436 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.773 -9.335 8.724 1.00 0.00 H new ATOM 301 N PHE A 22 -2.282 -9.343 4.132 1.00 0.00 N ATOM 302 CA PHE A 22 -1.374 -8.219 4.230 1.00 0.00 C ATOM 303 C PHE A 22 -2.095 -6.963 4.681 1.00 0.00 C ATOM 304 O PHE A 22 -3.269 -6.751 4.371 1.00 0.00 O ATOM 305 CB PHE A 22 -0.667 -7.983 2.894 1.00 0.00 C ATOM 306 CG PHE A 22 0.483 -8.924 2.633 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.347 -10.298 2.796 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.709 -8.425 2.220 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.410 -11.149 2.552 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.773 -9.271 1.976 1.00 0.00 C ATOM 311 CZ PHE A 22 2.623 -10.633 2.142 1.00 0.00 C ATOM 0 H PHE A 22 -2.898 -9.327 3.319 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.624 -8.460 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.394 -8.082 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.298 -6.958 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.600 -10.706 3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.834 -7.360 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.291 -12.215 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.722 -8.867 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.455 -11.295 1.951 1.00 0.00 H new ATOM 320 N THR A 23 -1.381 -6.129 5.405 1.00 0.00 N ATOM 321 CA THR A 23 -1.920 -4.874 5.866 1.00 0.00 C ATOM 322 C THR A 23 -0.778 -3.898 6.125 1.00 0.00 C ATOM 323 O THR A 23 0.255 -4.265 6.686 1.00 0.00 O ATOM 324 CB THR A 23 -2.794 -5.056 7.132 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.480 -3.835 7.435 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.964 -5.490 8.333 1.00 0.00 C ATOM 0 H THR A 23 -0.417 -6.303 5.688 1.00 0.00 H new ATOM 0 HA THR A 23 -2.570 -4.470 5.090 1.00 0.00 H new ATOM 0 HB THR A 23 -3.518 -5.843 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.570 -3.299 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.613 -5.607 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.476 -6.440 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.208 -4.734 8.545 1.00 0.00 H new ATOM 334 N VAL A 24 -0.914 -2.704 5.581 1.00 0.00 N ATOM 335 CA VAL A 24 0.128 -1.700 5.662 1.00 0.00 C ATOM 336 C VAL A 24 -0.255 -0.640 6.677 1.00 0.00 C ATOM 337 O VAL A 24 -1.287 0.007 6.542 1.00 0.00 O ATOM 338 CB VAL A 24 0.365 -1.030 4.288 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.435 0.046 4.383 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.743 -2.071 3.243 1.00 0.00 C ATOM 0 H VAL A 24 -1.746 -2.404 5.073 1.00 0.00 H new ATOM 0 HA VAL A 24 1.049 -2.194 5.971 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.566 -0.553 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.582 0.501 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.121 0.810 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.371 -0.400 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.906 -1.581 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.657 -2.580 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.063 -2.799 3.147 1.00 0.00 H new ATOM 350 N LYS A 25 0.587 -0.451 7.672 1.00 0.00 N ATOM 351 CA LYS A 25 0.341 0.546 8.697 1.00 0.00 C ATOM 352 C LYS A 25 1.199 1.763 8.417 1.00 0.00 C ATOM 353 O LYS A 25 2.408 1.727 8.610 1.00 0.00 O ATOM 354 CB LYS A 25 0.690 -0.032 10.070 1.00 0.00 C ATOM 355 CG LYS A 25 0.542 0.948 11.225 1.00 0.00 C ATOM 356 CD LYS A 25 1.147 0.378 12.496 1.00 0.00 C ATOM 357 CE LYS A 25 0.845 1.239 13.711 1.00 0.00 C ATOM 358 NZ LYS A 25 1.385 0.632 14.955 1.00 0.00 N ATOM 0 H LYS A 25 1.452 -0.977 7.794 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.711 0.832 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.052 -0.895 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.718 -0.394 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.031 1.889 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.513 1.170 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.761 -0.628 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.227 0.290 12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.276 2.231 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.233 1.370 13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.162 1.244 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.955 -0.304 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.417 0.530 14.872 1.00 0.00 H new ATOM 368 N GLU A 26 0.582 2.809 7.897 1.00 0.00 N ATOM 369 CA GLU A 26 1.314 4.003 7.516 1.00 0.00 C ATOM 370 C GLU A 26 1.089 5.110 8.536 1.00 0.00 C ATOM 371 O GLU A 26 -0.037 5.352 8.970 1.00 0.00 O ATOM 372 CB GLU A 26 0.892 4.453 6.112 1.00 0.00 C ATOM 373 CG GLU A 26 1.796 5.517 5.502 1.00 0.00 C ATOM 374 CD GLU A 26 1.180 6.905 5.513 1.00 0.00 C ATOM 375 OE1 GLU A 26 -0.018 7.034 5.836 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.887 7.874 5.165 1.00 0.00 O ATOM 0 H GLU A 26 -0.423 2.856 7.729 1.00 0.00 H new ATOM 0 HA GLU A 26 2.380 3.775 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.875 3.585 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.126 4.839 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.738 5.541 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.031 5.239 4.475 1.00 0.00 H new ATOM 381 N SER A 27 2.177 5.743 8.945 1.00 0.00 N ATOM 382 CA SER A 27 2.132 6.808 9.935 1.00 0.00 C ATOM 383 C SER A 27 3.093 7.916 9.530 1.00 0.00 C ATOM 384 O SER A 27 4.184 7.635 9.029 1.00 0.00 O ATOM 385 CB SER A 27 2.524 6.268 11.314 1.00 0.00 C ATOM 386 OG SER A 27 1.859 5.048 11.598 1.00 0.00 O ATOM 0 H SER A 27 3.114 5.534 8.601 1.00 0.00 H new ATOM 0 HA SER A 27 1.117 7.202 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.602 6.115 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.279 7.005 12.079 1.00 0.00 H new ATOM 0 HG SER A 27 2.436 4.296 11.349 1.00 0.00 H new ATOM 391 N SER A 28 2.677 9.166 9.694 1.00 0.00 N ATOM 392 CA SER A 28 3.510 10.304 9.322 1.00 0.00 C ATOM 393 C SER A 28 3.051 11.570 10.032 1.00 0.00 C ATOM 394 O SER A 28 1.869 11.914 9.992 1.00 0.00 O ATOM 395 CB SER A 28 3.468 10.538 7.807 1.00 0.00 C ATOM 396 OG SER A 28 3.969 9.423 7.089 1.00 0.00 O ATOM 0 H SER A 28 1.768 9.418 10.082 1.00 0.00 H new ATOM 0 HA SER A 28 4.531 10.073 9.624 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.442 10.738 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.054 11.423 7.559 1.00 0.00 H new ATOM 0 HG SER A 28 4.323 8.761 7.719 1.00 0.00 H new ATOM 401 N ASN A 29 4.013 12.276 10.628 1.00 0.00 N ATOM 402 CA ASN A 29 3.785 13.570 11.280 1.00 0.00 C ATOM 403 C ASN A 29 2.940 13.451 12.548 1.00 0.00 C ATOM 404 O ASN A 29 3.414 13.765 13.638 1.00 0.00 O ATOM 405 CB ASN A 29 3.135 14.568 10.313 1.00 0.00 C ATOM 406 CG ASN A 29 4.074 15.020 9.207 1.00 0.00 C ATOM 407 OD1 ASN A 29 4.550 14.216 8.402 1.00 0.00 O ATOM 408 ND2 ASN A 29 4.344 16.315 9.156 1.00 0.00 N ATOM 0 H ASN A 29 4.983 11.964 10.673 1.00 0.00 H new ATOM 0 HA ASN A 29 4.767 13.940 11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.251 14.111 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.796 15.440 10.873 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.965 16.678 8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.931 16.949 9.840 1.00 0.00 H new ATOM 414 N PHE A 30 1.687 13.034 12.403 1.00 0.00 N ATOM 415 CA PHE A 30 0.772 12.924 13.536 1.00 0.00 C ATOM 416 C PHE A 30 -0.506 12.210 13.111 1.00 0.00 C ATOM 417 O PHE A 30 -1.605 12.757 13.203 1.00 0.00 O ATOM 418 CB PHE A 30 0.445 14.315 14.095 1.00 0.00 C ATOM 419 CG PHE A 30 -0.256 14.301 15.426 1.00 0.00 C ATOM 420 CD1 PHE A 30 0.238 13.544 16.476 1.00 0.00 C ATOM 421 CD2 PHE A 30 -1.400 15.054 15.628 1.00 0.00 C ATOM 422 CE1 PHE A 30 -0.401 13.536 17.701 1.00 0.00 C ATOM 423 CE2 PHE A 30 -2.041 15.050 16.851 1.00 0.00 C ATOM 424 CZ PHE A 30 -1.540 14.290 17.889 1.00 0.00 C ATOM 0 H PHE A 30 1.279 12.765 11.508 1.00 0.00 H new ATOM 0 HA PHE A 30 1.255 12.341 14.320 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.371 14.881 14.192 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.179 14.845 13.375 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.132 12.954 16.336 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.796 15.651 14.820 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.008 12.939 18.511 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.933 15.641 16.995 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.039 14.286 18.847 1.00 0.00 H new ATOM 433 N ARG A 31 -0.344 11.011 12.582 1.00 0.00 N ATOM 434 CA ARG A 31 -1.471 10.240 12.076 1.00 0.00 C ATOM 435 C ARG A 31 -1.058 8.792 11.849 1.00 0.00 C ATOM 436 O ARG A 31 0.133 8.489 11.770 1.00 0.00 O ATOM 437 CB ARG A 31 -1.972 10.847 10.767 1.00 0.00 C ATOM 438 CG ARG A 31 -0.951 10.767 9.653 1.00 0.00 C ATOM 439 CD ARG A 31 -1.346 11.612 8.460 1.00 0.00 C ATOM 440 NE ARG A 31 -0.397 11.458 7.354 1.00 0.00 N ATOM 441 CZ ARG A 31 -0.129 10.295 6.753 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.879 9.226 6.990 1.00 0.00 N ATOM 443 NH2 ARG A 31 0.857 10.215 5.867 1.00 0.00 N ATOM 0 H ARG A 31 0.559 10.546 12.490 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.274 10.267 12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.881 10.331 10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.239 11.891 10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.019 11.097 10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.836 9.729 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.344 11.328 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.395 12.660 8.755 1.00 0.00 H new ATOM 0 HE ARG A 31 0.089 12.291 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.667 9.288 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.668 8.342 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.411 11.042 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.060 9.327 5.409 1.00 0.00 H new ATOM 454 N ASN A 32 -2.041 7.920 11.686 1.00 0.00 N ATOM 455 CA ASN A 32 -1.781 6.514 11.405 1.00 0.00 C ATOM 456 C ASN A 32 -2.981 5.873 10.721 1.00 0.00 C ATOM 457 O ASN A 32 -4.125 6.230 10.998 1.00 0.00 O ATOM 458 CB ASN A 32 -1.391 5.746 12.684 1.00 0.00 C ATOM 459 CG ASN A 32 -2.382 5.851 13.847 1.00 0.00 C ATOM 460 OD1 ASN A 32 -2.081 5.402 14.954 1.00 0.00 O ATOM 461 ND2 ASN A 32 -3.561 6.410 13.622 1.00 0.00 N ATOM 0 H ASN A 32 -3.030 8.161 11.744 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.932 6.459 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.266 4.693 12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.421 6.109 13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.246 6.477 14.375 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.784 6.774 12.696 1.00 0.00 H new ATOM 467 N ILE A 33 -2.711 5.047 9.726 1.00 0.00 N ATOM 468 CA ILE A 33 -3.767 4.471 8.909 1.00 0.00 C ATOM 469 C ILE A 33 -3.306 3.156 8.286 1.00 0.00 C ATOM 470 O ILE A 33 -2.181 3.048 7.793 1.00 0.00 O ATOM 471 CB ILE A 33 -4.206 5.462 7.800 1.00 0.00 C ATOM 472 CG1 ILE A 33 -5.268 4.835 6.892 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.007 5.927 6.981 1.00 0.00 C ATOM 474 CD1 ILE A 33 -5.794 5.781 5.835 1.00 0.00 C ATOM 0 H ILE A 33 -1.768 4.759 9.463 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.623 4.272 9.554 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.646 6.333 8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.845 3.957 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.100 4.489 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.340 6.621 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.292 6.427 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.530 5.066 6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.542 5.270 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.247 6.648 6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.972 6.108 5.198 1.00 0.00 H new ATOM 485 N ASP A 34 -4.149 2.137 8.368 1.00 0.00 N ATOM 486 CA ASP A 34 -3.806 0.826 7.838 1.00 0.00 C ATOM 487 C ASP A 34 -4.555 0.525 6.548 1.00 0.00 C ATOM 488 O ASP A 34 -5.767 0.713 6.450 1.00 0.00 O ATOM 489 CB ASP A 34 -4.065 -0.302 8.853 1.00 0.00 C ATOM 490 CG ASP A 34 -5.494 -0.361 9.374 1.00 0.00 C ATOM 491 OD1 ASP A 34 -6.232 0.641 9.266 1.00 0.00 O ATOM 492 OD2 ASP A 34 -5.876 -1.409 9.941 1.00 0.00 O ATOM 0 H ASP A 34 -5.073 2.193 8.796 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.737 0.861 7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.821 -1.257 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.388 -0.177 9.698 1.00 0.00 H new ATOM 496 N VAL A 35 -3.836 -0.048 5.601 1.00 0.00 N ATOM 497 CA VAL A 35 -4.425 -0.524 4.365 1.00 0.00 C ATOM 498 C VAL A 35 -4.460 -2.046 4.398 1.00 0.00 C ATOM 499 O VAL A 35 -3.416 -2.684 4.492 1.00 0.00 O ATOM 500 CB VAL A 35 -3.607 -0.061 3.138 1.00 0.00 C ATOM 501 CG1 VAL A 35 -4.293 -0.467 1.843 1.00 0.00 C ATOM 502 CG2 VAL A 35 -3.381 1.443 3.178 1.00 0.00 C ATOM 0 H VAL A 35 -2.829 -0.196 5.667 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.431 -0.114 4.276 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.636 -0.554 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.698 -0.130 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.392 -1.552 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.282 -0.011 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.803 1.747 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.343 1.956 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.835 1.705 4.084 1.00 0.00 H new ATOM 512 N VAL A 36 -5.646 -2.623 4.437 1.00 0.00 N ATOM 513 CA VAL A 36 -5.771 -4.071 4.548 1.00 0.00 C ATOM 514 C VAL A 36 -6.153 -4.682 3.202 1.00 0.00 C ATOM 515 O VAL A 36 -6.996 -4.141 2.481 1.00 0.00 O ATOM 516 CB VAL A 36 -6.801 -4.476 5.634 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.196 -3.978 5.286 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.807 -5.984 5.843 1.00 0.00 C ATOM 0 H VAL A 36 -6.532 -2.120 4.394 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.799 -4.461 4.850 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.499 -4.002 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.895 -4.278 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.185 -2.891 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.509 -4.408 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.538 -6.242 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.071 -6.480 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.817 -6.311 6.161 1.00 0.00 H new ATOM 528 N PHE A 37 -5.467 -5.754 2.826 1.00 0.00 N ATOM 529 CA PHE A 37 -5.679 -6.376 1.530 1.00 0.00 C ATOM 530 C PHE A 37 -5.070 -7.777 1.483 1.00 0.00 C ATOM 531 O PHE A 37 -3.936 -7.997 1.910 1.00 0.00 O ATOM 532 CB PHE A 37 -5.135 -5.494 0.379 1.00 0.00 C ATOM 533 CG PHE A 37 -3.691 -5.014 0.496 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.094 -4.748 1.723 1.00 0.00 C ATOM 535 CD2 PHE A 37 -2.933 -4.830 -0.650 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.784 -4.315 1.799 1.00 0.00 C ATOM 537 CE2 PHE A 37 -1.622 -4.401 -0.582 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.045 -4.145 0.646 1.00 0.00 C ATOM 0 H PHE A 37 -4.759 -6.209 3.402 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.755 -6.473 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.231 -6.054 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.777 -4.618 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.663 -4.882 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.376 -5.026 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.338 -4.110 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.049 -4.266 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.019 -3.813 0.704 1.00 0.00 H new ATOM 547 N GLU A 38 -5.852 -8.728 0.990 1.00 0.00 N ATOM 548 CA GLU A 38 -5.421 -10.115 0.887 1.00 0.00 C ATOM 549 C GLU A 38 -5.091 -10.451 -0.564 1.00 0.00 C ATOM 550 O GLU A 38 -5.732 -9.939 -1.481 1.00 0.00 O ATOM 551 CB GLU A 38 -6.502 -11.047 1.431 1.00 0.00 C ATOM 552 CG GLU A 38 -6.883 -10.750 2.873 1.00 0.00 C ATOM 553 CD GLU A 38 -7.894 -11.727 3.437 1.00 0.00 C ATOM 554 OE1 GLU A 38 -8.193 -12.742 2.769 1.00 0.00 O ATOM 555 OE2 GLU A 38 -8.391 -11.489 4.558 1.00 0.00 O ATOM 0 H GLU A 38 -6.799 -8.560 0.651 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.521 -10.255 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.390 -10.967 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.153 -12.077 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.985 -10.770 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.290 -9.741 2.934 1.00 0.00 H new ATOM 560 N LEU A 39 -3.995 -11.179 -0.754 1.00 0.00 N ATOM 561 CA LEU A 39 -3.437 -11.436 -2.083 1.00 0.00 C ATOM 562 C LEU A 39 -4.491 -11.940 -3.063 1.00 0.00 C ATOM 563 O LEU A 39 -5.079 -13.001 -2.861 1.00 0.00 O ATOM 564 CB LEU A 39 -2.297 -12.463 -2.004 1.00 0.00 C ATOM 565 CG LEU A 39 -1.044 -12.023 -1.234 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.287 -12.033 0.268 1.00 0.00 C ATOM 567 CD2 LEU A 39 0.135 -12.919 -1.585 1.00 0.00 C ATOM 0 H LEU A 39 -3.467 -11.608 0.006 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.055 -10.483 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.684 -13.370 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.001 -12.726 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.811 -11.000 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.381 -11.717 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.100 -11.349 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.554 -13.041 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.016 -12.595 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.100 -13.950 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.335 -12.855 -2.655 1.00 0.00 H new ATOM 578 N GLY A 40 -4.676 -11.197 -4.152 1.00 0.00 N ATOM 579 CA GLY A 40 -5.613 -11.602 -5.180 1.00 0.00 C ATOM 580 C GLY A 40 -7.049 -11.564 -4.708 1.00 0.00 C ATOM 581 O GLY A 40 -7.860 -12.412 -5.093 1.00 0.00 O ATOM 0 H GLY A 40 -4.191 -10.319 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.502 -10.948 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.370 -12.612 -5.510 1.00 0.00 H new ATOM 585 N VAL A 41 -7.370 -10.584 -3.879 1.00 0.00 N ATOM 586 CA VAL A 41 -8.720 -10.426 -3.377 1.00 0.00 C ATOM 587 C VAL A 41 -9.162 -8.984 -3.571 1.00 0.00 C ATOM 588 O VAL A 41 -8.349 -8.064 -3.474 1.00 0.00 O ATOM 589 CB VAL A 41 -8.827 -10.814 -1.881 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.257 -10.689 -1.384 1.00 0.00 C ATOM 591 CG2 VAL A 41 -8.314 -12.227 -1.652 1.00 0.00 C ATOM 0 H VAL A 41 -6.709 -9.885 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.372 -11.097 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.205 -10.121 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.302 -10.968 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.594 -9.659 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.902 -11.350 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.399 -12.478 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.906 -12.929 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.269 -12.289 -1.957 1.00 0.00 H new ATOM 601 N ASP A 42 -10.437 -8.790 -3.855 1.00 0.00 N ATOM 602 CA ASP A 42 -10.973 -7.458 -4.071 1.00 0.00 C ATOM 603 C ASP A 42 -11.686 -6.981 -2.818 1.00 0.00 C ATOM 604 O ASP A 42 -12.163 -7.784 -2.012 1.00 0.00 O ATOM 605 CB ASP A 42 -11.928 -7.416 -5.273 1.00 0.00 C ATOM 606 CG ASP A 42 -13.117 -8.353 -5.149 1.00 0.00 C ATOM 607 OD1 ASP A 42 -13.061 -9.316 -4.359 1.00 0.00 O ATOM 608 OD2 ASP A 42 -14.102 -8.158 -5.888 1.00 0.00 O ATOM 0 H ASP A 42 -11.123 -9.540 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.138 -6.793 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.293 -6.397 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.371 -7.669 -6.175 1.00 0.00 H new ATOM 612 N PHE A 43 -11.564 -5.696 -2.563 1.00 0.00 N ATOM 613 CA PHE A 43 -11.999 -5.126 -1.305 1.00 0.00 C ATOM 614 C PHE A 43 -12.467 -3.696 -1.520 1.00 0.00 C ATOM 615 O PHE A 43 -12.011 -3.026 -2.449 1.00 0.00 O ATOM 616 CB PHE A 43 -10.839 -5.178 -0.303 1.00 0.00 C ATOM 617 CG PHE A 43 -9.533 -4.671 -0.867 1.00 0.00 C ATOM 618 CD1 PHE A 43 -9.235 -3.318 -0.853 1.00 0.00 C ATOM 619 CD2 PHE A 43 -8.604 -5.551 -1.410 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.044 -2.851 -1.370 1.00 0.00 C ATOM 621 CE2 PHE A 43 -7.411 -5.088 -1.930 1.00 0.00 C ATOM 622 CZ PHE A 43 -7.132 -3.737 -1.909 1.00 0.00 C ATOM 0 H PHE A 43 -11.164 -5.021 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.836 -5.700 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.101 -4.587 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.706 -6.206 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.944 -2.620 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.818 -6.610 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.825 -1.794 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.699 -5.782 -2.352 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.200 -3.372 -2.314 1.00 0.00 H new ATOM 631 N ALA A 44 -13.425 -3.265 -0.717 1.00 0.00 N ATOM 632 CA ALA A 44 -13.986 -1.933 -0.848 1.00 0.00 C ATOM 633 C ALA A 44 -14.159 -1.293 0.520 1.00 0.00 C ATOM 634 O ALA A 44 -14.833 -1.847 1.394 1.00 0.00 O ATOM 635 CB ALA A 44 -15.324 -1.992 -1.569 1.00 0.00 C ATOM 0 H ALA A 44 -13.831 -3.821 0.035 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.297 -1.325 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.733 -0.986 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.183 -2.418 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.016 -2.615 -1.002 1.00 0.00 H new ATOM 641 N TYR A 45 -13.545 -0.132 0.707 1.00 0.00 N ATOM 642 CA TYR A 45 -13.638 0.589 1.968 1.00 0.00 C ATOM 643 C TYR A 45 -13.138 2.017 1.815 1.00 0.00 C ATOM 644 O TYR A 45 -12.439 2.342 0.853 1.00 0.00 O ATOM 645 CB TYR A 45 -12.865 -0.136 3.078 1.00 0.00 C ATOM 646 CG TYR A 45 -11.425 -0.476 2.749 1.00 0.00 C ATOM 647 CD1 TYR A 45 -10.446 0.505 2.698 1.00 0.00 C ATOM 648 CD2 TYR A 45 -11.043 -1.793 2.528 1.00 0.00 C ATOM 649 CE1 TYR A 45 -9.131 0.187 2.428 1.00 0.00 C ATOM 650 CE2 TYR A 45 -9.728 -2.120 2.264 1.00 0.00 C ATOM 651 CZ TYR A 45 -8.777 -1.127 2.214 1.00 0.00 C ATOM 652 OH TYR A 45 -7.465 -1.449 1.959 1.00 0.00 O ATOM 0 H TYR A 45 -12.976 0.331 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.689 0.623 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.879 0.486 3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -13.392 -1.058 3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.718 1.536 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.787 -2.575 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.383 0.965 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.447 -3.150 2.098 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.318 -2.399 2.149 1.00 0.00 H new ATOM 661 N SER A 46 -13.474 2.858 2.779 1.00 0.00 N ATOM 662 CA SER A 46 -13.025 4.235 2.774 1.00 0.00 C ATOM 663 C SER A 46 -11.899 4.421 3.783 1.00 0.00 C ATOM 664 O SER A 46 -12.043 4.089 4.962 1.00 0.00 O ATOM 665 CB SER A 46 -14.189 5.166 3.104 1.00 0.00 C ATOM 666 OG SER A 46 -14.742 4.841 4.364 1.00 0.00 O ATOM 0 H SER A 46 -14.058 2.607 3.577 1.00 0.00 H new ATOM 0 HA SER A 46 -12.650 4.481 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.845 6.200 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.955 5.087 2.333 1.00 0.00 H new ATOM 0 HG SER A 46 -14.065 4.391 4.912 1.00 0.00 H new ATOM 671 N LEU A 47 -10.799 4.978 3.323 1.00 0.00 N ATOM 672 CA LEU A 47 -9.654 5.238 4.178 1.00 0.00 C ATOM 673 C LEU A 47 -9.579 6.715 4.529 1.00 0.00 C ATOM 674 O LEU A 47 -9.633 7.570 3.640 1.00 0.00 O ATOM 675 CB LEU A 47 -8.359 4.799 3.498 1.00 0.00 C ATOM 676 CG LEU A 47 -8.129 3.287 3.434 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.833 2.982 2.702 1.00 0.00 C ATOM 678 CD2 LEU A 47 -8.102 2.691 4.835 1.00 0.00 C ATOM 0 H LEU A 47 -10.671 5.263 2.352 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.778 4.661 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.351 5.194 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.520 5.255 4.024 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.954 2.834 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.682 1.903 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.886 3.377 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.000 3.447 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.938 1.615 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.296 3.147 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.054 2.883 5.331 1.00 0.00 H new ATOM 689 N ALA A 48 -9.509 6.996 5.833 1.00 0.00 N ATOM 690 CA ALA A 48 -9.442 8.365 6.354 1.00 0.00 C ATOM 691 C ALA A 48 -10.580 9.228 5.815 1.00 0.00 C ATOM 692 O ALA A 48 -10.420 10.436 5.629 1.00 0.00 O ATOM 693 CB ALA A 48 -8.093 8.993 6.024 1.00 0.00 C ATOM 0 H ALA A 48 -9.497 6.280 6.559 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.552 8.314 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.059 10.009 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.296 8.402 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.958 9.018 4.943 1.00 0.00 H new ATOM 699 N ASP A 49 -11.725 8.587 5.571 1.00 0.00 N ATOM 700 CA ASP A 49 -12.915 9.255 5.045 1.00 0.00 C ATOM 701 C ASP A 49 -12.563 10.111 3.824 1.00 0.00 C ATOM 702 O ASP A 49 -12.932 11.284 3.740 1.00 0.00 O ATOM 703 CB ASP A 49 -13.571 10.117 6.132 1.00 0.00 C ATOM 704 CG ASP A 49 -15.055 10.339 5.901 1.00 0.00 C ATOM 705 OD1 ASP A 49 -15.433 10.896 4.848 1.00 0.00 O ATOM 706 OD2 ASP A 49 -15.854 9.960 6.783 1.00 0.00 O ATOM 0 H ASP A 49 -11.852 7.588 5.733 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.625 8.490 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.428 9.640 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.067 11.083 6.175 1.00 0.00 H new ATOM 710 N GLY A 50 -11.755 9.554 2.932 1.00 0.00 N ATOM 711 CA GLY A 50 -11.300 10.310 1.785 1.00 0.00 C ATOM 712 C GLY A 50 -11.124 9.445 0.559 1.00 0.00 C ATOM 713 O GLY A 50 -11.753 9.680 -0.473 1.00 0.00 O ATOM 0 H GLY A 50 -11.408 8.596 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.017 11.102 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.353 10.794 2.024 1.00 0.00 H new ATOM 717 N THR A 51 -10.303 8.418 0.672 1.00 0.00 N ATOM 718 CA THR A 51 -10.093 7.503 -0.432 1.00 0.00 C ATOM 719 C THR A 51 -11.002 6.289 -0.286 1.00 0.00 C ATOM 720 O THR A 51 -10.916 5.566 0.703 1.00 0.00 O ATOM 721 CB THR A 51 -8.624 7.033 -0.501 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.285 6.310 0.687 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.675 8.210 -0.662 1.00 0.00 C ATOM 0 H THR A 51 -9.772 8.197 1.515 1.00 0.00 H new ATOM 0 HA THR A 51 -10.331 8.035 -1.353 1.00 0.00 H new ATOM 0 HB THR A 51 -8.522 6.384 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.100 5.946 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.649 7.846 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.911 8.745 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.784 8.884 0.188 1.00 0.00 H new ATOM 731 N GLU A 52 -11.819 6.018 -1.289 1.00 0.00 N ATOM 732 CA GLU A 52 -12.646 4.828 -1.265 1.00 0.00 C ATOM 733 C GLU A 52 -12.275 3.955 -2.441 1.00 0.00 C ATOM 734 O GLU A 52 -12.722 4.199 -3.559 1.00 0.00 O ATOM 735 CB GLU A 52 -14.132 5.184 -1.320 1.00 0.00 C ATOM 736 CG GLU A 52 -14.579 6.120 -0.213 1.00 0.00 C ATOM 737 CD GLU A 52 -16.076 6.314 -0.199 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.627 6.784 -1.214 1.00 0.00 O ATOM 739 OE2 GLU A 52 -16.712 5.979 0.820 1.00 0.00 O ATOM 0 H GLU A 52 -11.926 6.599 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.471 4.293 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.350 5.645 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.718 4.267 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.257 5.722 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.090 7.086 -0.337 1.00 0.00 H new ATOM 744 N LEU A 53 -11.332 3.058 -2.228 1.00 0.00 N ATOM 745 CA LEU A 53 -10.808 2.258 -3.319 1.00 0.00 C ATOM 746 C LEU A 53 -11.373 0.849 -3.287 1.00 0.00 C ATOM 747 O LEU A 53 -11.108 0.077 -2.367 1.00 0.00 O ATOM 748 CB LEU A 53 -9.276 2.207 -3.286 1.00 0.00 C ATOM 749 CG LEU A 53 -8.555 3.448 -3.833 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.742 4.636 -2.907 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.076 3.161 -4.024 1.00 0.00 C ATOM 0 H LEU A 53 -10.915 2.865 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.119 2.737 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.958 2.050 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.948 1.338 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.994 3.694 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.222 5.502 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.804 4.861 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.334 4.399 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.580 4.051 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.632 2.886 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.953 2.340 -4.730 1.00 0.00 H new ATOM 762 N THR A 54 -12.044 0.494 -4.366 1.00 0.00 N ATOM 763 CA THR A 54 -12.516 -0.859 -4.566 1.00 0.00 C ATOM 764 C THR A 54 -11.615 -1.533 -5.578 1.00 0.00 C ATOM 765 O THR A 54 -11.509 -1.067 -6.714 1.00 0.00 O ATOM 766 CB THR A 54 -13.953 -0.871 -5.106 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.768 0.031 -4.344 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.545 -2.271 -5.048 1.00 0.00 C ATOM 0 H THR A 54 -12.276 1.134 -5.125 1.00 0.00 H new ATOM 0 HA THR A 54 -12.500 -1.381 -3.610 1.00 0.00 H new ATOM 0 HB THR A 54 -13.929 -0.550 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.683 0.020 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.563 -2.252 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.939 -2.947 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.557 -2.618 -4.015 1.00 0.00 H new ATOM 776 N GLY A 55 -10.844 -2.505 -5.143 1.00 0.00 N ATOM 777 CA GLY A 55 -9.857 -3.052 -6.032 1.00 0.00 C ATOM 778 C GLY A 55 -9.266 -4.356 -5.566 1.00 0.00 C ATOM 779 O GLY A 55 -9.424 -4.744 -4.412 1.00 0.00 O ATOM 0 H GLY A 55 -10.881 -2.918 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.309 -3.200 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.054 -2.326 -6.157 1.00 0.00 H new ATOM 783 N THR A 56 -8.570 -5.013 -6.479 1.00 0.00 N ATOM 784 CA THR A 56 -7.885 -6.261 -6.198 1.00 0.00 C ATOM 785 C THR A 56 -6.506 -6.237 -6.831 1.00 0.00 C ATOM 786 O THR A 56 -6.360 -5.832 -7.984 1.00 0.00 O ATOM 787 CB THR A 56 -8.673 -7.480 -6.739 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.830 -8.640 -6.803 1.00 0.00 O ATOM 789 CG2 THR A 56 -9.258 -7.195 -8.120 1.00 0.00 C ATOM 0 H THR A 56 -8.465 -4.692 -7.442 1.00 0.00 H new ATOM 0 HA THR A 56 -7.804 -6.361 -5.116 1.00 0.00 H new ATOM 0 HB THR A 56 -9.494 -7.671 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.345 -9.400 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.805 -8.070 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.936 -6.344 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.451 -6.967 -8.817 1.00 0.00 H new ATOM 797 N TRP A 57 -5.505 -6.698 -6.102 1.00 0.00 N ATOM 798 CA TRP A 57 -4.161 -6.807 -6.654 1.00 0.00 C ATOM 799 C TRP A 57 -3.637 -8.211 -6.412 1.00 0.00 C ATOM 800 O TRP A 57 -4.112 -8.908 -5.517 1.00 0.00 O ATOM 801 CB TRP A 57 -3.206 -5.747 -6.053 1.00 0.00 C ATOM 802 CG TRP A 57 -2.358 -6.255 -4.942 1.00 0.00 C ATOM 803 CD1 TRP A 57 -0.999 -6.356 -4.871 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.860 -6.766 -3.748 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.645 -6.919 -3.666 1.00 0.00 N ATOM 806 CE2 TRP A 57 -1.787 -7.190 -2.963 1.00 0.00 C ATOM 807 CE3 TRP A 57 -4.145 -6.896 -3.299 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -1.974 -7.765 -1.714 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -4.352 -7.462 -2.062 1.00 0.00 C ATOM 810 CH2 TRP A 57 -3.265 -7.896 -1.279 1.00 0.00 C ATOM 0 H TRP A 57 -5.593 -7.002 -5.132 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.207 -6.616 -7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.560 -5.365 -6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.796 -4.906 -5.690 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -0.309 -6.043 -5.640 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.307 -7.103 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.977 -6.562 -3.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.139 -8.094 -1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -5.359 -7.575 -1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.454 -8.342 -0.314 1.00 0.00 H new ATOM 820 N THR A 58 -2.675 -8.632 -7.197 1.00 0.00 N ATOM 821 CA THR A 58 -2.098 -9.940 -7.010 1.00 0.00 C ATOM 822 C THR A 58 -0.609 -9.821 -6.739 1.00 0.00 C ATOM 823 O THR A 58 0.063 -8.952 -7.303 1.00 0.00 O ATOM 824 CB THR A 58 -2.346 -10.844 -8.229 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.792 -10.242 -9.409 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.837 -11.081 -8.426 1.00 0.00 C ATOM 0 H THR A 58 -2.278 -8.092 -7.966 1.00 0.00 H new ATOM 0 HA THR A 58 -2.583 -10.400 -6.149 1.00 0.00 H new ATOM 0 HB THR A 58 -1.859 -11.803 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.953 -10.825 -10.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.992 -11.723 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.249 -11.563 -7.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.339 -10.127 -8.586 1.00 0.00 H new ATOM 834 N MET A 59 -0.108 -10.654 -5.843 1.00 0.00 N ATOM 835 CA MET A 59 1.297 -10.628 -5.488 1.00 0.00 C ATOM 836 C MET A 59 1.993 -11.882 -5.992 1.00 0.00 C ATOM 837 O MET A 59 1.668 -12.992 -5.573 1.00 0.00 O ATOM 838 CB MET A 59 1.463 -10.510 -3.972 1.00 0.00 C ATOM 839 CG MET A 59 2.912 -10.525 -3.511 1.00 0.00 C ATOM 840 SD MET A 59 3.066 -10.448 -1.716 1.00 0.00 S ATOM 841 CE MET A 59 4.848 -10.451 -1.526 1.00 0.00 C ATOM 0 H MET A 59 -0.656 -11.358 -5.348 1.00 0.00 H new ATOM 0 HA MET A 59 1.755 -9.758 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.994 -9.586 -3.635 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.930 -11.331 -3.492 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.397 -11.431 -3.876 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.440 -9.681 -3.954 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.101 -10.407 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.259 -11.363 -1.959 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.270 -9.585 -2.036 1.00 0.00 H new ATOM 849 N GLU A 60 2.963 -11.703 -6.871 1.00 0.00 N ATOM 850 CA GLU A 60 3.724 -12.831 -7.386 1.00 0.00 C ATOM 851 C GLU A 60 5.201 -12.475 -7.501 1.00 0.00 C ATOM 852 O GLU A 60 5.564 -11.510 -8.174 1.00 0.00 O ATOM 853 CB GLU A 60 3.187 -13.278 -8.749 1.00 0.00 C ATOM 854 CG GLU A 60 3.896 -14.507 -9.299 1.00 0.00 C ATOM 855 CD GLU A 60 3.733 -15.717 -8.402 1.00 0.00 C ATOM 856 OE1 GLU A 60 2.606 -16.247 -8.314 1.00 0.00 O ATOM 857 OE2 GLU A 60 4.722 -16.128 -7.758 1.00 0.00 O ATOM 0 H GLU A 60 3.242 -10.795 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 60 3.614 -13.656 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.122 -13.490 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.291 -12.458 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.503 -14.737 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.957 -14.288 -9.420 1.00 0.00 H new ATOM 862 N GLY A 61 6.037 -13.269 -6.843 1.00 0.00 N ATOM 863 CA GLY A 61 7.474 -13.070 -6.887 1.00 0.00 C ATOM 864 C GLY A 61 7.894 -11.704 -6.401 1.00 0.00 C ATOM 865 O GLY A 61 8.754 -11.067 -7.008 1.00 0.00 O ATOM 0 H GLY A 61 5.739 -14.059 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.960 -13.832 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.824 -13.209 -7.910 1.00 0.00 H new ATOM 869 N ASN A 62 7.303 -11.278 -5.288 1.00 0.00 N ATOM 870 CA ASN A 62 7.607 -9.988 -4.667 1.00 0.00 C ATOM 871 C ASN A 62 7.201 -8.839 -5.583 1.00 0.00 C ATOM 872 O ASN A 62 7.896 -7.826 -5.685 1.00 0.00 O ATOM 873 CB ASN A 62 9.093 -9.872 -4.299 1.00 0.00 C ATOM 874 CG ASN A 62 9.596 -11.055 -3.491 1.00 0.00 C ATOM 875 OD1 ASN A 62 9.862 -12.130 -4.034 1.00 0.00 O ATOM 876 ND2 ASN A 62 9.702 -10.882 -2.184 1.00 0.00 N ATOM 0 H ASN A 62 6.597 -11.818 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 62 7.028 -9.927 -3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.682 -9.785 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.251 -8.956 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.012 -11.652 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.473 -9.979 -1.769 1.00 0.00 H new ATOM 882 N LYS A 63 6.011 -8.959 -6.154 1.00 0.00 N ATOM 883 CA LYS A 63 5.433 -7.903 -6.970 1.00 0.00 C ATOM 884 C LYS A 63 3.999 -7.666 -6.549 1.00 0.00 C ATOM 885 O LYS A 63 3.237 -8.609 -6.346 1.00 0.00 O ATOM 886 CB LYS A 63 5.478 -8.234 -8.468 1.00 0.00 C ATOM 887 CG LYS A 63 6.801 -7.904 -9.144 1.00 0.00 C ATOM 888 CD LYS A 63 7.834 -8.990 -8.919 1.00 0.00 C ATOM 889 CE LYS A 63 9.218 -8.553 -9.365 1.00 0.00 C ATOM 890 NZ LYS A 63 9.250 -8.165 -10.799 1.00 0.00 N ATOM 0 H LYS A 63 5.422 -9.787 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 63 6.029 -7.004 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.271 -9.296 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.680 -7.689 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.640 -7.772 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.179 -6.957 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.859 -9.254 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.543 -9.887 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.545 -7.711 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.926 -9.364 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.119 -8.530 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.422 -8.565 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.231 -7.128 -10.879 1.00 0.00 H new ATOM 900 N LEU A 64 3.670 -6.410 -6.355 1.00 0.00 N ATOM 901 CA LEU A 64 2.358 -6.008 -5.896 1.00 0.00 C ATOM 902 C LEU A 64 1.662 -5.207 -6.990 1.00 0.00 C ATOM 903 O LEU A 64 2.034 -4.064 -7.257 1.00 0.00 O ATOM 904 CB LEU A 64 2.527 -5.155 -4.633 1.00 0.00 C ATOM 905 CG LEU A 64 3.298 -5.834 -3.495 1.00 0.00 C ATOM 906 CD1 LEU A 64 3.677 -4.813 -2.432 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.476 -6.953 -2.878 1.00 0.00 C ATOM 0 H LEU A 64 4.310 -5.631 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 64 1.749 -6.882 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.042 -4.232 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.540 -4.874 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 64 4.209 -6.266 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.224 -5.309 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.305 -4.041 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.774 -4.357 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.043 -7.420 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.548 -6.545 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.246 -7.698 -3.640 1.00 0.00 H new ATOM 918 N VAL A 65 0.722 -5.837 -7.689 1.00 0.00 N ATOM 919 CA VAL A 65 0.067 -5.197 -8.829 1.00 0.00 C ATOM 920 C VAL A 65 -1.396 -5.619 -8.936 1.00 0.00 C ATOM 921 O VAL A 65 -1.698 -6.802 -9.103 1.00 0.00 O ATOM 922 CB VAL A 65 0.761 -5.557 -10.170 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.120 -4.808 -11.328 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.256 -5.276 -10.127 1.00 0.00 C ATOM 0 H VAL A 65 0.398 -6.783 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 65 0.139 -4.124 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 65 0.627 -6.628 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.623 -5.076 -12.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.934 -5.076 -11.395 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.212 -3.735 -11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.704 -5.542 -11.085 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.422 -4.217 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.715 -5.868 -9.335 1.00 0.00 H new ATOM 934 N GLY A 66 -2.300 -4.647 -8.876 1.00 0.00 N ATOM 935 CA GLY A 66 -3.711 -4.934 -9.037 1.00 0.00 C ATOM 936 C GLY A 66 -4.447 -3.848 -9.799 1.00 0.00 C ATOM 937 O GLY A 66 -3.972 -3.368 -10.831 1.00 0.00 O ATOM 0 H GLY A 66 -2.079 -3.664 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.827 -5.882 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.167 -5.055 -8.055 1.00 0.00 H new ATOM 941 N LYS A 67 -5.625 -3.488 -9.312 1.00 0.00 N ATOM 942 CA LYS A 67 -6.462 -2.481 -9.953 1.00 0.00 C ATOM 943 C LYS A 67 -7.473 -1.960 -8.938 1.00 0.00 C ATOM 944 O LYS A 67 -8.227 -2.745 -8.373 1.00 0.00 O ATOM 945 CB LYS A 67 -7.199 -3.096 -11.147 1.00 0.00 C ATOM 946 CG LYS A 67 -7.740 -2.074 -12.133 1.00 0.00 C ATOM 947 CD LYS A 67 -6.644 -1.512 -13.030 1.00 0.00 C ATOM 948 CE LYS A 67 -6.186 -2.516 -14.086 1.00 0.00 C ATOM 949 NZ LYS A 67 -5.327 -3.597 -13.523 1.00 0.00 N ATOM 0 H LYS A 67 -6.028 -3.884 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.839 -1.661 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.521 -3.769 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.026 -3.702 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.511 -2.537 -12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.215 -1.259 -11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.008 -0.611 -13.523 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.792 -1.218 -12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.060 -2.963 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.635 -1.990 -14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.524 -3.770 -14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.972 -3.307 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.886 -4.469 -13.425 1.00 0.00 H new ATOM 959 N PHE A 68 -7.394 -0.673 -8.605 1.00 0.00 N ATOM 960 CA PHE A 68 -8.231 -0.105 -7.550 1.00 0.00 C ATOM 961 C PHE A 68 -9.033 1.076 -8.100 1.00 0.00 C ATOM 962 O PHE A 68 -8.538 1.838 -8.932 1.00 0.00 O ATOM 963 CB PHE A 68 -7.383 0.385 -6.361 1.00 0.00 C ATOM 964 CG PHE A 68 -6.581 -0.653 -5.604 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.073 -1.789 -6.217 1.00 0.00 C ATOM 966 CD2 PHE A 68 -6.317 -0.463 -4.257 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.326 -2.709 -5.507 1.00 0.00 C ATOM 968 CE2 PHE A 68 -5.567 -1.374 -3.543 1.00 0.00 C ATOM 969 CZ PHE A 68 -5.073 -2.501 -4.168 1.00 0.00 C ATOM 0 H PHE A 68 -6.762 -0.006 -9.048 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.902 -0.891 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.691 1.142 -6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.049 0.879 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.265 -1.957 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.705 0.413 -3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.941 -3.589 -6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.366 -1.206 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.490 -3.218 -3.609 1.00 0.00 H new ATOM 978 N LYS A 69 -10.271 1.210 -7.649 1.00 0.00 N ATOM 979 CA LYS A 69 -11.154 2.272 -8.109 1.00 0.00 C ATOM 980 C LYS A 69 -11.330 3.338 -7.034 1.00 0.00 C ATOM 981 O LYS A 69 -11.730 3.032 -5.917 1.00 0.00 O ATOM 982 CB LYS A 69 -12.512 1.673 -8.488 1.00 0.00 C ATOM 983 CG LYS A 69 -13.569 2.695 -8.867 1.00 0.00 C ATOM 984 CD LYS A 69 -14.866 2.031 -9.308 1.00 0.00 C ATOM 985 CE LYS A 69 -14.711 1.266 -10.619 1.00 0.00 C ATOM 986 NZ LYS A 69 -14.132 -0.093 -10.429 1.00 0.00 N ATOM 0 H LYS A 69 -10.691 0.589 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.708 2.747 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.372 0.988 -9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.881 1.082 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.766 3.347 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.192 3.326 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.204 1.347 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.639 2.791 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.685 1.177 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.073 1.837 -11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.194 -0.137 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.040 -0.292 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.757 -0.801 -10.865 1.00 0.00 H new ATOM 996 N ARG A 70 -11.053 4.587 -7.388 1.00 0.00 N ATOM 997 CA ARG A 70 -11.197 5.704 -6.466 1.00 0.00 C ATOM 998 C ARG A 70 -12.261 6.670 -6.990 1.00 0.00 C ATOM 999 O ARG A 70 -11.938 7.652 -7.657 1.00 0.00 O ATOM 1000 CB ARG A 70 -9.847 6.420 -6.307 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.717 7.246 -5.028 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.492 8.550 -5.114 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.465 9.317 -3.868 1.00 0.00 N ATOM 1004 CZ ARG A 70 -9.374 9.884 -3.348 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -8.201 9.798 -3.970 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -9.474 10.573 -2.219 1.00 0.00 N ATOM 0 H ARG A 70 -10.724 4.852 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.512 5.335 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.051 5.676 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.694 7.075 -7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.080 6.663 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.665 7.461 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.078 9.159 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.527 8.334 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.343 9.426 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.128 9.295 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.374 10.235 -3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.378 10.666 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.647 11.010 -1.813 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.525 6.332 -6.764 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.652 7.091 -7.319 1.00 0.00 C ATOM 1019 C VAL A 71 -14.723 8.526 -6.778 1.00 0.00 C ATOM 1020 O VAL A 71 -15.183 9.434 -7.470 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.998 6.366 -7.051 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.293 6.286 -5.558 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.144 7.048 -7.789 1.00 0.00 C ATOM 0 H VAL A 71 -13.802 5.531 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.479 7.150 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.906 5.349 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.242 5.773 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.496 5.735 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.352 7.293 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.075 6.519 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.231 8.081 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.947 7.032 -8.861 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.326 8.709 -5.524 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.431 10.007 -4.853 1.00 0.00 C ATOM 1035 C ASP A 72 -13.684 11.109 -5.605 1.00 0.00 C ATOM 1036 O ASP A 72 -14.144 12.252 -5.668 1.00 0.00 O ATOM 1037 CB ASP A 72 -13.927 9.887 -3.408 1.00 0.00 C ATOM 1038 CG ASP A 72 -13.534 11.216 -2.792 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -12.391 11.657 -3.011 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -14.369 11.822 -2.086 1.00 0.00 O ATOM 0 H ASP A 72 -13.925 7.971 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.482 10.295 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.705 9.428 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.068 9.217 -3.386 1.00 0.00 H new ATOM 1044 N ASN A 73 -12.535 10.768 -6.162 1.00 0.00 N ATOM 1045 CA ASN A 73 -11.723 11.740 -6.883 1.00 0.00 C ATOM 1046 C ASN A 73 -11.795 11.505 -8.386 1.00 0.00 C ATOM 1047 O ASN A 73 -11.823 12.454 -9.169 1.00 0.00 O ATOM 1048 CB ASN A 73 -10.271 11.684 -6.403 1.00 0.00 C ATOM 1049 CG ASN A 73 -9.384 12.702 -7.092 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -9.692 13.893 -7.119 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -8.262 12.246 -7.626 1.00 0.00 N ATOM 0 H ASN A 73 -12.141 9.828 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.122 12.733 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.242 11.854 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.873 10.684 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.615 12.890 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.044 11.251 -7.582 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.843 10.242 -8.788 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.915 9.924 -10.195 1.00 0.00 C ATOM 1059 C GLY A 74 -12.564 8.585 -10.443 1.00 0.00 C ATOM 1060 O GLY A 74 -13.784 8.452 -10.348 1.00 0.00 O ATOM 0 H GLY A 74 -11.833 9.435 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.478 10.700 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.910 9.923 -10.618 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.757 7.599 -10.796 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.279 6.286 -11.127 1.00 0.00 C ATOM 1066 C LYS A 75 -11.252 5.191 -10.854 1.00 0.00 C ATOM 1067 O LYS A 75 -11.617 4.053 -10.587 1.00 0.00 O ATOM 1068 CB LYS A 75 -12.692 6.246 -12.598 1.00 0.00 C ATOM 1069 CG LYS A 75 -13.444 4.984 -12.995 1.00 0.00 C ATOM 1070 CD LYS A 75 -13.834 5.001 -14.465 1.00 0.00 C ATOM 1071 CE LYS A 75 -12.617 4.906 -15.373 1.00 0.00 C ATOM 1072 NZ LYS A 75 -11.949 3.584 -15.272 1.00 0.00 N ATOM 0 H LYS A 75 -10.742 7.683 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.147 6.103 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.318 7.112 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.800 6.335 -13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.823 4.111 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.340 4.886 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.508 4.170 -14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.381 5.917 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.920 5.081 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.908 5.691 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.941 3.686 -15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.044 3.220 -14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.393 2.919 -15.937 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.972 5.511 -10.984 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.929 4.504 -10.849 1.00 0.00 C ATOM 1084 C GLU A 76 -7.690 5.072 -10.188 1.00 0.00 C ATOM 1085 O GLU A 76 -6.992 5.902 -10.763 1.00 0.00 O ATOM 1086 CB GLU A 76 -8.549 3.942 -12.217 1.00 0.00 C ATOM 1087 CG GLU A 76 -9.582 2.994 -12.799 1.00 0.00 C ATOM 1088 CD GLU A 76 -9.230 2.540 -14.198 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -9.131 3.402 -15.098 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -9.064 1.322 -14.405 1.00 0.00 O ATOM 0 H GLU A 76 -9.633 6.452 -11.181 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.328 3.708 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.398 4.770 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.596 3.419 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.676 2.123 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.554 3.487 -12.814 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.336 4.478 -9.069 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.105 4.791 -8.376 1.00 0.00 C ATOM 1097 C LEU A 77 -5.454 3.482 -7.960 1.00 0.00 C ATOM 1098 O LEU A 77 -6.010 2.743 -7.162 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.405 5.672 -7.162 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.206 6.000 -6.267 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.169 6.805 -7.028 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.660 6.754 -5.026 1.00 0.00 C ATOM 0 H LEU A 77 -7.898 3.760 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.424 5.343 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.839 6.608 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.163 5.177 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.747 5.062 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.327 7.026 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.820 6.230 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.614 7.738 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.796 6.979 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.146 7.684 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.364 6.140 -4.464 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.421 3.100 -8.683 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.882 1.754 -8.585 1.00 0.00 C ATOM 1115 C ILE A 78 -2.598 1.727 -7.770 1.00 0.00 C ATOM 1116 O ILE A 78 -1.744 2.592 -7.921 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.595 1.187 -9.993 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.781 1.447 -10.926 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -3.300 -0.303 -9.919 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.475 1.189 -12.386 1.00 0.00 C ATOM 0 H ILE A 78 -3.935 3.703 -9.347 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.629 1.140 -8.083 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.718 1.694 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.616 0.816 -10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.104 2.481 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.100 -0.685 -10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.428 -0.470 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.160 -0.824 -9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.362 1.394 -12.985 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.661 1.839 -12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.181 0.148 -12.518 1.00 0.00 H new ATOM 1131 N ALA A 79 -2.421 0.678 -6.989 1.00 0.00 N ATOM 1132 CA ALA A 79 -1.192 0.491 -6.238 1.00 0.00 C ATOM 1133 C ALA A 79 -0.323 -0.544 -6.940 1.00 0.00 C ATOM 1134 O ALA A 79 -0.745 -1.684 -7.139 1.00 0.00 O ATOM 1135 CB ALA A 79 -1.511 0.035 -4.820 1.00 0.00 C ATOM 0 H ALA A 79 -3.113 -0.059 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.653 1.437 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.583 -0.103 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.122 0.789 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.056 -0.908 -4.855 1.00 0.00 H new ATOM 1141 N VAL A 80 0.850 -0.117 -7.387 1.00 0.00 N ATOM 1142 CA VAL A 80 1.752 -0.985 -8.132 1.00 0.00 C ATOM 1143 C VAL A 80 3.183 -0.797 -7.649 1.00 0.00 C ATOM 1144 O VAL A 80 3.691 0.326 -7.611 1.00 0.00 O ATOM 1145 CB VAL A 80 1.696 -0.699 -9.655 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.714 -1.546 -10.405 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.298 -0.945 -10.205 1.00 0.00 C ATOM 0 H VAL A 80 1.201 0.830 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 80 1.429 -2.011 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 80 1.944 0.352 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.655 -1.327 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.716 -1.316 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.501 -2.602 -10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.286 -0.737 -11.275 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.017 -1.984 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.412 -0.290 -9.700 1.00 0.00 H new ATOM 1157 N ARG A 81 3.825 -1.896 -7.271 1.00 0.00 N ATOM 1158 CA ARG A 81 5.202 -1.848 -6.807 1.00 0.00 C ATOM 1159 C ARG A 81 5.811 -3.241 -6.755 1.00 0.00 C ATOM 1160 O ARG A 81 5.137 -4.207 -6.417 1.00 0.00 O ATOM 1161 CB ARG A 81 5.291 -1.211 -5.419 1.00 0.00 C ATOM 1162 CG ARG A 81 6.722 -0.940 -4.995 1.00 0.00 C ATOM 1163 CD ARG A 81 7.398 0.012 -5.962 1.00 0.00 C ATOM 1164 NE ARG A 81 8.852 -0.132 -5.950 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.656 0.351 -6.898 1.00 0.00 C ATOM 1166 NH1 ARG A 81 9.144 0.938 -7.975 1.00 0.00 N ATOM 1167 NH2 ARG A 81 10.972 0.218 -6.779 1.00 0.00 N ATOM 0 H ARG A 81 3.413 -2.829 -7.277 1.00 0.00 H new ATOM 0 HA ARG A 81 5.760 -1.240 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.731 -0.276 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.818 -1.869 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.735 -0.516 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.277 -1.877 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.025 -0.170 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.134 1.038 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 81 9.278 -0.632 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.133 1.020 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.762 1.306 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.365 -0.253 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.589 0.586 -7.503 1.00 0.00 H new ATOM 1178 N GLU A 82 7.118 -3.310 -6.944 1.00 0.00 N ATOM 1179 CA GLU A 82 7.852 -4.543 -6.751 1.00 0.00 C ATOM 1180 C GLU A 82 8.890 -4.342 -5.655 1.00 0.00 C ATOM 1181 O GLU A 82 9.328 -3.218 -5.413 1.00 0.00 O ATOM 1182 CB GLU A 82 8.513 -4.994 -8.056 1.00 0.00 C ATOM 1183 CG GLU A 82 9.306 -3.905 -8.757 1.00 0.00 C ATOM 1184 CD GLU A 82 9.864 -4.362 -10.089 1.00 0.00 C ATOM 1185 OE1 GLU A 82 9.718 -5.556 -10.422 1.00 0.00 O ATOM 1186 OE2 GLU A 82 10.445 -3.531 -10.815 1.00 0.00 O ATOM 0 H GLU A 82 7.693 -2.519 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 82 7.160 -5.329 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.176 -5.833 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.742 -5.361 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.666 -3.037 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.126 -3.585 -8.114 1.00 0.00 H new ATOM 1191 N ILE A 83 9.205 -5.402 -4.933 1.00 0.00 N ATOM 1192 CA ILE A 83 10.126 -5.304 -3.810 1.00 0.00 C ATOM 1193 C ILE A 83 11.494 -5.836 -4.215 1.00 0.00 C ATOM 1194 O ILE A 83 11.613 -6.976 -4.665 1.00 0.00 O ATOM 1195 CB ILE A 83 9.632 -6.106 -2.578 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.277 -5.592 -2.081 1.00 0.00 C ATOM 1197 CG2 ILE A 83 10.658 -6.049 -1.452 1.00 0.00 C ATOM 1198 CD1 ILE A 83 7.088 -6.158 -2.829 1.00 0.00 C ATOM 0 H ILE A 83 8.839 -6.339 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 83 10.186 -4.251 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 83 9.507 -7.143 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.175 -5.833 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.260 -4.505 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.292 -6.618 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.600 -6.476 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.817 -5.012 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.168 -5.744 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.163 -5.895 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.076 -7.243 -2.726 1.00 0.00 H new ATOM 1209 N SER A 84 12.520 -5.021 -4.047 1.00 0.00 N ATOM 1210 CA SER A 84 13.875 -5.432 -4.378 1.00 0.00 C ATOM 1211 C SER A 84 14.747 -5.403 -3.126 1.00 0.00 C ATOM 1212 O SER A 84 14.690 -4.447 -2.350 1.00 0.00 O ATOM 1213 CB SER A 84 14.455 -4.519 -5.462 1.00 0.00 C ATOM 1214 OG SER A 84 15.711 -4.992 -5.922 1.00 0.00 O ATOM 0 H SER A 84 12.442 -4.071 -3.684 1.00 0.00 H new ATOM 0 HA SER A 84 13.854 -6.451 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.759 -4.458 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.568 -3.509 -5.067 1.00 0.00 H new ATOM 0 HG SER A 84 16.054 -4.389 -6.614 1.00 0.00 H new ATOM 1219 N GLY A 85 15.480 -6.491 -2.890 1.00 0.00 N ATOM 1220 CA GLY A 85 16.269 -6.607 -1.677 1.00 0.00 C ATOM 1221 C GLY A 85 15.391 -6.523 -0.449 1.00 0.00 C ATOM 1222 O GLY A 85 14.305 -7.110 -0.426 1.00 0.00 O ATOM 0 H GLY A 85 15.540 -7.292 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.808 -7.554 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.017 -5.815 -1.648 1.00 0.00 H new ATOM 1226 N ASN A 86 15.733 -5.628 0.466 1.00 0.00 N ATOM 1227 CA ASN A 86 14.814 -5.303 1.541 1.00 0.00 C ATOM 1228 C ASN A 86 14.570 -3.804 1.563 1.00 0.00 C ATOM 1229 O ASN A 86 15.285 -3.045 2.221 1.00 0.00 O ATOM 1230 CB ASN A 86 15.372 -5.760 2.892 1.00 0.00 C ATOM 1231 CG ASN A 86 15.580 -7.259 2.968 1.00 0.00 C ATOM 1232 OD1 ASN A 86 14.623 -8.039 2.968 1.00 0.00 O ATOM 1233 ND2 ASN A 86 16.836 -7.673 3.018 1.00 0.00 N ATOM 0 H ASN A 86 16.620 -5.125 0.486 1.00 0.00 H new ATOM 0 HA ASN A 86 13.873 -5.825 1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.321 -5.257 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.689 -5.452 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.043 -8.671 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.597 -6.994 3.016 1.00 0.00 H new ATOM 1239 N GLU A 87 13.490 -3.418 0.908 1.00 0.00 N ATOM 1240 CA GLU A 87 13.015 -2.047 0.872 1.00 0.00 C ATOM 1241 C GLU A 87 11.652 -2.055 0.201 1.00 0.00 C ATOM 1242 O GLU A 87 11.289 -3.054 -0.421 1.00 0.00 O ATOM 1243 CB GLU A 87 13.988 -1.125 0.131 1.00 0.00 C ATOM 1244 CG GLU A 87 14.119 -1.414 -1.355 1.00 0.00 C ATOM 1245 CD GLU A 87 15.140 -0.525 -2.027 1.00 0.00 C ATOM 1246 OE1 GLU A 87 15.898 0.167 -1.310 1.00 0.00 O ATOM 1247 OE2 GLU A 87 15.197 -0.511 -3.271 1.00 0.00 O ATOM 0 H GLU A 87 12.906 -4.063 0.375 1.00 0.00 H new ATOM 0 HA GLU A 87 12.941 -1.655 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.662 -0.093 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.972 -1.209 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.401 -2.457 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.150 -1.278 -1.836 1.00 0.00 H new ATOM 1252 N LEU A 88 10.904 -0.974 0.296 1.00 0.00 N ATOM 1253 CA LEU A 88 9.609 -0.930 -0.355 1.00 0.00 C ATOM 1254 C LEU A 88 9.213 0.485 -0.725 1.00 0.00 C ATOM 1255 O LEU A 88 9.081 1.353 0.129 1.00 0.00 O ATOM 1256 CB LEU A 88 8.526 -1.543 0.537 1.00 0.00 C ATOM 1257 CG LEU A 88 7.125 -1.551 -0.078 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.078 -2.467 -1.289 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.084 -1.970 0.946 1.00 0.00 C ATOM 0 H LEU A 88 11.163 -0.130 0.807 1.00 0.00 H new ATOM 0 HA LEU A 88 9.697 -1.515 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.809 -2.568 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.493 -0.992 1.477 1.00 0.00 H new ATOM 0 HG LEU A 88 6.893 -0.536 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.074 -2.459 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.790 -2.118 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.337 -3.482 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.097 -1.967 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.313 -2.972 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.094 -1.271 1.782 1.00 0.00 H new ATOM 1270 N ILE A 89 8.846 0.650 -1.975 1.00 0.00 N ATOM 1271 CA ILE A 89 8.248 1.882 -2.439 1.00 0.00 C ATOM 1272 C ILE A 89 6.750 1.632 -2.573 1.00 0.00 C ATOM 1273 O ILE A 89 6.314 0.487 -2.525 1.00 0.00 O ATOM 1274 CB ILE A 89 8.832 2.319 -3.806 1.00 0.00 C ATOM 1275 CG1 ILE A 89 10.357 2.171 -3.824 1.00 0.00 C ATOM 1276 CG2 ILE A 89 8.441 3.752 -4.142 1.00 0.00 C ATOM 1277 CD1 ILE A 89 11.077 2.987 -2.772 1.00 0.00 C ATOM 0 H ILE A 89 8.953 -0.063 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 89 8.458 2.683 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 89 8.409 1.662 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.609 1.120 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.726 2.462 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.866 4.028 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.355 3.832 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.822 4.423 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.151 2.823 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.859 4.045 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.740 2.682 -1.781 1.00 0.00 H new ATOM 1288 N GLN A 90 5.960 2.670 -2.673 1.00 0.00 N ATOM 1289 CA GLN A 90 4.524 2.497 -2.788 1.00 0.00 C ATOM 1290 C GLN A 90 3.954 3.507 -3.770 1.00 0.00 C ATOM 1291 O GLN A 90 3.969 4.710 -3.510 1.00 0.00 O ATOM 1292 CB GLN A 90 3.870 2.651 -1.418 1.00 0.00 C ATOM 1293 CG GLN A 90 2.374 2.383 -1.419 1.00 0.00 C ATOM 1294 CD GLN A 90 1.753 2.474 -0.035 1.00 0.00 C ATOM 1295 OE1 GLN A 90 0.544 2.303 0.126 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.567 2.749 0.975 1.00 0.00 N ATOM 0 H GLN A 90 6.278 3.639 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 90 4.313 1.495 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.351 1.969 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.048 3.662 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.883 3.098 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.189 1.391 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.563 2.885 0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.197 2.825 1.922 1.00 0.00 H new ATOM 1303 N THR A 91 3.557 3.023 -4.936 1.00 0.00 N ATOM 1304 CA THR A 91 3.090 3.896 -5.993 1.00 0.00 C ATOM 1305 C THR A 91 1.578 3.842 -6.134 1.00 0.00 C ATOM 1306 O THR A 91 1.006 2.787 -6.413 1.00 0.00 O ATOM 1307 CB THR A 91 3.715 3.518 -7.346 1.00 0.00 C ATOM 1308 OG1 THR A 91 4.949 2.816 -7.134 1.00 0.00 O ATOM 1309 CG2 THR A 91 3.979 4.757 -8.182 1.00 0.00 C ATOM 0 H THR A 91 3.550 2.031 -5.171 1.00 0.00 H new ATOM 0 HA THR A 91 3.394 4.905 -5.716 1.00 0.00 H new ATOM 0 HB THR A 91 3.013 2.877 -7.880 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.801 1.853 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.421 4.466 -9.135 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.040 5.281 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.665 5.416 -7.650 1.00 0.00 H new ATOM 1317 N TYR A 92 0.975 5.011 -6.120 1.00 0.00 N ATOM 1318 CA TYR A 92 -0.428 5.163 -6.432 1.00 0.00 C ATOM 1319 C TYR A 92 -0.550 5.736 -7.837 1.00 0.00 C ATOM 1320 O TYR A 92 -0.138 6.868 -8.090 1.00 0.00 O ATOM 1321 CB TYR A 92 -1.119 6.108 -5.442 1.00 0.00 C ATOM 1322 CG TYR A 92 -1.030 5.698 -3.987 1.00 0.00 C ATOM 1323 CD1 TYR A 92 0.161 5.812 -3.278 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -2.146 5.212 -3.317 1.00 0.00 C ATOM 1325 CE1 TYR A 92 0.235 5.458 -1.945 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -2.080 4.854 -1.984 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.887 4.978 -1.303 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.818 4.628 0.028 1.00 0.00 O ATOM 0 H TYR A 92 1.447 5.886 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.911 4.188 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.684 7.102 -5.550 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.171 6.189 -5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.043 6.184 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.081 5.112 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.167 5.557 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.958 4.479 -1.478 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.445 3.726 0.110 1.00 0.00 H new ATOM 1337 N THR A 93 -1.051 4.935 -8.754 1.00 0.00 N ATOM 1338 CA THR A 93 -1.195 5.353 -10.134 1.00 0.00 C ATOM 1339 C THR A 93 -2.652 5.697 -10.426 1.00 0.00 C ATOM 1340 O THR A 93 -3.504 4.816 -10.519 1.00 0.00 O ATOM 1341 CB THR A 93 -0.722 4.242 -11.092 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.544 3.732 -10.648 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.589 4.764 -12.516 1.00 0.00 C ATOM 0 H THR A 93 -1.368 3.984 -8.567 1.00 0.00 H new ATOM 0 HA THR A 93 -0.576 6.236 -10.291 1.00 0.00 H new ATOM 0 HB THR A 93 -1.467 3.446 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.843 3.025 -11.257 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.254 3.958 -13.169 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.555 5.132 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.138 5.576 -12.539 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.930 6.983 -10.545 1.00 0.00 N ATOM 1352 CA TYR A 94 -4.279 7.457 -10.804 1.00 0.00 C ATOM 1353 C TYR A 94 -4.420 7.869 -12.259 1.00 0.00 C ATOM 1354 O TYR A 94 -3.659 8.705 -12.746 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.600 8.640 -9.886 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.890 9.357 -10.220 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -7.115 8.694 -10.215 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.876 10.704 -10.553 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -8.282 9.359 -10.537 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -7.038 11.373 -10.872 1.00 0.00 C ATOM 1361 CZ TYR A 94 -8.237 10.698 -10.865 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.394 11.364 -11.197 1.00 0.00 O ATOM 0 H TYR A 94 -2.233 7.724 -10.466 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.983 6.650 -10.601 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.653 8.283 -8.858 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.778 9.355 -9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.153 7.646 -9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.937 11.238 -10.562 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.225 8.833 -10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.008 12.422 -11.126 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.186 12.300 -11.400 1.00 0.00 H new ATOM 1371 N GLU A 95 -5.403 7.273 -12.932 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.704 7.550 -14.338 1.00 0.00 C ATOM 1373 C GLU A 95 -4.546 7.133 -15.255 1.00 0.00 C ATOM 1374 O GLU A 95 -4.620 6.099 -15.924 1.00 0.00 O ATOM 1375 CB GLU A 95 -6.050 9.031 -14.530 1.00 0.00 C ATOM 1376 CG GLU A 95 -6.571 9.365 -15.915 1.00 0.00 C ATOM 1377 CD GLU A 95 -6.973 10.818 -16.052 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -6.775 11.597 -15.094 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -7.490 11.194 -17.124 1.00 0.00 O ATOM 0 H GLU A 95 -6.020 6.577 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.572 6.953 -14.619 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.799 9.318 -13.792 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.161 9.630 -14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.803 9.133 -16.653 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.430 8.732 -16.138 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.454 7.887 -15.213 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.274 7.548 -15.980 1.00 0.00 C ATOM 1386 C GLY A 96 -1.033 8.236 -15.445 1.00 0.00 C ATOM 1387 O GLY A 96 -0.033 8.382 -16.153 1.00 0.00 O ATOM 0 H GLY A 96 -3.367 8.736 -14.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.127 6.468 -15.961 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.425 7.831 -17.022 1.00 0.00 H new ATOM 1391 N VAL A 97 -1.071 8.585 -14.165 1.00 0.00 N ATOM 1392 CA VAL A 97 0.068 9.194 -13.491 1.00 0.00 C ATOM 1393 C VAL A 97 0.302 8.507 -12.156 1.00 0.00 C ATOM 1394 O VAL A 97 -0.643 8.069 -11.506 1.00 0.00 O ATOM 1395 CB VAL A 97 -0.129 10.707 -13.256 1.00 0.00 C ATOM 1396 CG1 VAL A 97 -0.100 11.469 -14.573 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -1.428 10.976 -12.507 1.00 0.00 C ATOM 0 H VAL A 97 -1.888 8.455 -13.568 1.00 0.00 H new ATOM 0 HA VAL A 97 0.933 9.068 -14.142 1.00 0.00 H new ATOM 0 HB VAL A 97 0.698 11.061 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.241 12.533 -14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.861 11.313 -15.063 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.900 11.108 -15.220 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.544 12.049 -12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.269 10.600 -13.090 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.402 10.472 -11.541 1.00 0.00 H new ATOM 1407 N GLU A 98 1.558 8.320 -11.793 1.00 0.00 N ATOM 1408 CA GLU A 98 1.876 7.591 -10.582 1.00 0.00 C ATOM 1409 C GLU A 98 2.640 8.455 -9.582 1.00 0.00 C ATOM 1410 O GLU A 98 3.711 8.989 -9.878 1.00 0.00 O ATOM 1411 CB GLU A 98 2.659 6.316 -10.915 1.00 0.00 C ATOM 1412 CG GLU A 98 3.937 6.543 -11.709 1.00 0.00 C ATOM 1413 CD GLU A 98 4.637 5.241 -12.045 1.00 0.00 C ATOM 1414 OE1 GLU A 98 4.072 4.442 -12.824 1.00 0.00 O ATOM 1415 OE2 GLU A 98 5.743 4.994 -11.513 1.00 0.00 O ATOM 0 H GLU A 98 2.366 8.660 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 98 0.935 7.309 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.911 5.807 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.011 5.645 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.701 7.076 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.611 7.180 -11.136 1.00 0.00 H new ATOM 1420 N ALA A 99 2.111 8.519 -8.372 1.00 0.00 N ATOM 1421 CA ALA A 99 2.774 9.188 -7.266 1.00 0.00 C ATOM 1422 C ALA A 99 3.272 8.133 -6.293 1.00 0.00 C ATOM 1423 O ALA A 99 2.584 7.142 -6.061 1.00 0.00 O ATOM 1424 CB ALA A 99 1.822 10.154 -6.577 1.00 0.00 C ATOM 0 H ALA A 99 1.210 8.108 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 99 3.618 9.770 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.337 10.645 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.484 10.904 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.962 9.605 -6.193 1.00 0.00 H new ATOM 1430 N LYS A 100 4.508 8.251 -5.845 1.00 0.00 N ATOM 1431 CA LYS A 100 5.100 7.191 -5.046 1.00 0.00 C ATOM 1432 C LYS A 100 5.694 7.700 -3.746 1.00 0.00 C ATOM 1433 O LYS A 100 6.384 8.720 -3.704 1.00 0.00 O ATOM 1434 CB LYS A 100 6.154 6.434 -5.857 1.00 0.00 C ATOM 1435 CG LYS A 100 7.245 7.318 -6.444 1.00 0.00 C ATOM 1436 CD LYS A 100 7.997 6.604 -7.557 1.00 0.00 C ATOM 1437 CE LYS A 100 7.138 6.467 -8.804 1.00 0.00 C ATOM 1438 NZ LYS A 100 7.849 5.759 -9.899 1.00 0.00 N ATOM 0 H LYS A 100 5.113 9.054 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 100 4.294 6.508 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.616 5.682 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.658 5.901 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.803 8.236 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.943 7.608 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.906 7.156 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.306 5.616 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.225 5.926 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.839 7.457 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.182 5.553 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.619 6.359 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.245 4.868 -9.537 1.00 0.00 H new ATOM 1448 N ARG A 101 5.474 6.919 -2.706 1.00 0.00 N ATOM 1449 CA ARG A 101 6.045 7.173 -1.396 1.00 0.00 C ATOM 1450 C ARG A 101 7.177 6.177 -1.161 1.00 0.00 C ATOM 1451 O ARG A 101 7.087 5.031 -1.598 1.00 0.00 O ATOM 1452 CB ARG A 101 4.966 7.022 -0.322 1.00 0.00 C ATOM 1453 CG ARG A 101 5.351 7.600 1.026 1.00 0.00 C ATOM 1454 CD ARG A 101 5.207 9.113 1.055 1.00 0.00 C ATOM 1455 NE ARG A 101 5.484 9.663 2.383 1.00 0.00 N ATOM 1456 CZ ARG A 101 4.754 9.405 3.475 1.00 0.00 C ATOM 1457 NH1 ARG A 101 3.618 8.722 3.381 1.00 0.00 N ATOM 1458 NH2 ARG A 101 5.145 9.874 4.652 1.00 0.00 N ATOM 0 H ARG A 101 4.890 6.084 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 101 6.436 8.189 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.054 7.509 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.736 5.964 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.724 7.161 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.381 7.329 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.889 9.556 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.196 9.387 0.752 1.00 0.00 H new ATOM 0 HE ARG A 101 6.287 10.284 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.296 8.390 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.068 8.530 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.998 10.428 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.592 9.680 5.487 1.00 0.00 H new ATOM 1469 N ILE A 102 8.276 6.629 -0.577 1.00 0.00 N ATOM 1470 CA ILE A 102 9.455 5.784 -0.434 1.00 0.00 C ATOM 1471 C ILE A 102 9.603 5.263 0.995 1.00 0.00 C ATOM 1472 O ILE A 102 9.486 6.020 1.959 1.00 0.00 O ATOM 1473 CB ILE A 102 10.734 6.553 -0.835 1.00 0.00 C ATOM 1474 CG1 ILE A 102 10.611 7.068 -2.274 1.00 0.00 C ATOM 1475 CG2 ILE A 102 11.964 5.668 -0.688 1.00 0.00 C ATOM 1476 CD1 ILE A 102 11.785 7.912 -2.724 1.00 0.00 C ATOM 0 H ILE A 102 8.378 7.570 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 102 9.321 4.933 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 102 10.849 7.406 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.508 6.217 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.698 7.656 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 102 12.853 6.230 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.058 5.345 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 102 11.863 4.794 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.625 8.239 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.876 8.783 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.700 7.322 -2.669 1.00 0.00 H new ATOM 1487 N PHE A 103 9.873 3.966 1.116 1.00 0.00 N ATOM 1488 CA PHE A 103 10.064 3.330 2.413 1.00 0.00 C ATOM 1489 C PHE A 103 11.223 2.336 2.353 1.00 0.00 C ATOM 1490 O PHE A 103 11.624 1.891 1.275 1.00 0.00 O ATOM 1491 CB PHE A 103 8.788 2.608 2.867 1.00 0.00 C ATOM 1492 CG PHE A 103 7.579 3.494 2.955 1.00 0.00 C ATOM 1493 CD1 PHE A 103 7.494 4.472 3.928 1.00 0.00 C ATOM 1494 CD2 PHE A 103 6.528 3.348 2.065 1.00 0.00 C ATOM 1495 CE1 PHE A 103 6.385 5.289 4.022 1.00 0.00 C ATOM 1496 CE2 PHE A 103 5.413 4.160 2.151 1.00 0.00 C ATOM 1497 CZ PHE A 103 5.341 5.132 3.131 1.00 0.00 C ATOM 0 H PHE A 103 9.965 3.331 0.323 1.00 0.00 H new ATOM 0 HA PHE A 103 10.297 4.111 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 103 8.578 1.794 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.966 2.157 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.308 4.599 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 103 6.580 2.592 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.334 6.048 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.598 4.035 1.453 1.00 0.00 H new ATOM 0 HZ PHE A 103 4.470 5.767 3.200 1.00 0.00 H new ATOM 1506 N LYS A 104 11.741 1.974 3.518 1.00 0.00 N ATOM 1507 CA LYS A 104 12.826 1.010 3.617 1.00 0.00 C ATOM 1508 C LYS A 104 12.765 0.309 4.967 1.00 0.00 C ATOM 1509 O LYS A 104 12.206 0.853 5.916 1.00 0.00 O ATOM 1510 CB LYS A 104 14.191 1.692 3.401 1.00 0.00 C ATOM 1511 CG LYS A 104 14.481 2.884 4.316 1.00 0.00 C ATOM 1512 CD LYS A 104 14.823 2.461 5.737 1.00 0.00 C ATOM 1513 CE LYS A 104 15.311 3.632 6.568 1.00 0.00 C ATOM 1514 NZ LYS A 104 15.607 3.236 7.971 1.00 0.00 N ATOM 0 H LYS A 104 11.423 2.338 4.416 1.00 0.00 H new ATOM 0 HA LYS A 104 12.710 0.263 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.976 0.949 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.251 2.027 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.309 3.461 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.612 3.542 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.943 2.022 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.591 1.688 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.209 4.050 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.556 4.418 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.251 3.931 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.722 3.202 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.055 2.297 7.980 1.00 0.00 H new ATOM 1524 N LYS A 105 13.274 -0.912 5.032 1.00 0.00 N ATOM 1525 CA LYS A 105 13.219 -1.704 6.257 1.00 0.00 C ATOM 1526 C LYS A 105 13.963 -0.996 7.393 1.00 0.00 C ATOM 1527 O LYS A 105 15.139 -0.657 7.257 1.00 0.00 O ATOM 1528 CB LYS A 105 13.824 -3.094 6.001 1.00 0.00 C ATOM 1529 CG LYS A 105 13.264 -4.198 6.894 1.00 0.00 C ATOM 1530 CD LYS A 105 13.654 -4.012 8.348 1.00 0.00 C ATOM 1531 CE LYS A 105 12.936 -4.993 9.254 1.00 0.00 C ATOM 1532 NZ LYS A 105 13.239 -4.738 10.686 1.00 0.00 N ATOM 0 H LYS A 105 13.732 -1.379 4.249 1.00 0.00 H new ATOM 0 HA LYS A 105 12.177 -1.818 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.654 -3.365 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 105 14.903 -3.039 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.177 -4.214 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.625 -5.165 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 105 14.731 -4.140 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 105 13.422 -2.993 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.861 -4.920 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 105 13.230 -6.010 8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.470 -5.115 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.132 -5.207 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.328 -3.714 10.845 1.00 0.00 H new ATOM 1542 N GLU A 106 13.284 -0.825 8.525 1.00 0.00 N ATOM 1543 CA GLU A 106 13.898 -0.231 9.707 1.00 0.00 C ATOM 1544 C GLU A 106 14.787 -1.256 10.406 1.00 0.00 C ATOM 1545 O GLU A 106 16.022 -1.087 10.386 1.00 0.00 O ATOM 1546 CB GLU A 106 12.821 0.286 10.666 1.00 0.00 C ATOM 1547 CG GLU A 106 13.364 0.804 11.991 1.00 0.00 C ATOM 1548 CD GLU A 106 12.265 1.208 12.954 1.00 0.00 C ATOM 1549 OE1 GLU A 106 11.585 2.219 12.691 1.00 0.00 O ATOM 1550 OE2 GLU A 106 12.072 0.507 13.975 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.247 -2.246 10.949 1.00 0.00 O ATOM 0 H GLU A 106 12.307 -1.090 8.647 1.00 0.00 H new ATOM 0 HA GLU A 106 14.514 0.613 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.267 1.086 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.112 -0.517 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.981 0.033 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.011 1.661 11.804 1.00 0.00 H new TER 1556 GLU A 106