USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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 103 ASN : amide:sc= 0.437 K(o=0.69,f=0.051) USER MOD Set 1.2: A 105 THR OG1 : rot -3:sc= 0.258 USER MOD Single : A 1 ASP N :NH3+ 151:sc= 0.745 (180deg=0.267) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.171 (180deg=-0.945) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 1.14 (180deg=0.638) USER MOD Single : A 43 LYS NZ :NH3+ 131:sc= -5.5! (180deg=-10.5!) USER MOD Single : A 45 LYS NZ :NH3+ 129:sc= -0.191 (180deg=-0.854) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 86:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.0099) USER MOD Single : A 56 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.15) USER MOD Single : A 58 GLN : amide:sc= -0.878 X(o=-0.88,f=-1.1) USER MOD Single : A 60 HIS : no HD1:sc= -0.0395 X(o=-0.04,f=0) USER MOD Single : A 62 SER OG : rot 70:sc= 0.0258 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -38:sc= 0.0135 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 0.283 (180deg=-0.0497) USER MOD Single : A 70 TYR OH : rot -104:sc= -0.127 USER MOD Single : A 75 HIS : no HD1:sc= 0.96 K(o=0.96,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.409 USER MOD Single : A 80 GLN : amide:sc= -4.38! K(o=-4.4!,f=-1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 89 CYS SG : rot 107:sc= 2.14 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -42:sc= -4.02! USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -2.92! (180deg=-3.63!) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 2.31 (180deg=1.59) USER MOD Single : A 99 CYS SG : rot 95:sc= -3.15! USER MOD Single : A 100 SER OG : rot 113:sc= -1.92! USER MOD Single : A 101 ASN : amide:sc= -3.91! K(o=-3.9!,f=-0.19) USER MOD Single : A 107 HIS : no HE2:sc= -0.809 K(o=-0.81,f=-3.1!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.977 -12.330 0.510 1.00 0.92 N ATOM 2 CA ASP A 1 -16.754 -11.001 -0.093 1.00 0.81 C ATOM 3 C ASP A 1 -17.819 -10.719 -1.156 1.00 0.80 C ATOM 4 O ASP A 1 -18.140 -11.579 -1.977 1.00 0.99 O ATOM 5 CB ASP A 1 -15.343 -10.896 -0.687 1.00 0.90 C ATOM 6 CG ASP A 1 -15.158 -11.718 -1.938 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.076 -12.955 -1.816 1.00 1.68 O ATOM 8 OD2 ASP A 1 -15.098 -11.132 -3.037 1.00 1.93 O ATOM 0 H1 ASP A 1 -16.068 -12.725 0.826 1.00 0.92 H new ATOM 0 H2 ASP A 1 -17.617 -12.239 1.325 1.00 0.92 H new ATOM 0 H3 ASP A 1 -17.403 -12.964 -0.196 1.00 0.92 H new ATOM 0 HA ASP A 1 -16.839 -10.248 0.690 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -15.128 -9.851 -0.912 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -14.617 -11.217 0.060 1.00 0.90 H new ATOM 13 N ASP A 2 -18.381 -9.517 -1.120 1.00 0.70 N ATOM 14 CA ASP A 2 -19.474 -9.128 -1.985 1.00 0.72 C ATOM 15 C ASP A 2 -18.996 -8.407 -3.237 1.00 0.70 C ATOM 16 O ASP A 2 -17.851 -7.965 -3.299 1.00 0.75 O ATOM 17 CB ASP A 2 -20.318 -8.181 -1.184 1.00 0.79 C ATOM 18 CG ASP A 2 -21.245 -8.885 -0.222 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.315 -9.352 -0.652 1.00 1.11 O ATOM 20 OD2 ASP A 2 -20.907 -8.958 0.973 1.00 1.65 O ATOM 0 H ASP A 2 -18.083 -8.781 -0.480 1.00 0.70 H new ATOM 0 HA ASP A 2 -20.013 -10.017 -2.313 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -19.668 -7.507 -0.626 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -20.908 -7.565 -1.863 1.00 0.79 H new ATOM 25 N PRO A 3 -19.880 -8.254 -4.239 1.00 0.71 N ATOM 26 CA PRO A 3 -19.603 -7.455 -5.442 1.00 0.72 C ATOM 27 C PRO A 3 -19.403 -5.968 -5.123 1.00 0.66 C ATOM 28 O PRO A 3 -20.340 -5.168 -5.139 1.00 0.97 O ATOM 29 CB PRO A 3 -20.842 -7.658 -6.318 1.00 0.84 C ATOM 30 CG PRO A 3 -21.516 -8.868 -5.767 1.00 0.94 C ATOM 31 CD PRO A 3 -21.214 -8.873 -4.298 1.00 0.81 C ATOM 0 HA PRO A 3 -18.678 -7.768 -5.926 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.499 -6.789 -6.279 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.566 -7.802 -7.363 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.591 -8.832 -5.945 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -21.144 -9.774 -6.245 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -21.950 -8.303 -3.731 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.210 -9.883 -3.889 1.00 0.81 H new ATOM 39 N ILE A 4 -18.167 -5.635 -4.793 1.00 0.45 N ATOM 40 CA ILE A 4 -17.762 -4.273 -4.449 1.00 0.41 C ATOM 41 C ILE A 4 -16.705 -3.799 -5.419 1.00 0.41 C ATOM 42 O ILE A 4 -16.854 -2.777 -6.089 1.00 0.50 O ATOM 43 CB ILE A 4 -17.210 -4.218 -3.006 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.358 -3.965 -2.045 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.128 -3.154 -2.840 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.328 -5.111 -1.977 1.00 0.46 C ATOM 0 H ILE A 4 -17.402 -6.309 -4.754 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.634 -3.622 -4.512 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.742 -5.177 -2.784 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.957 -3.776 -1.049 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.889 -3.064 -2.351 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.772 -3.155 -1.810 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.297 -3.372 -3.511 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.541 -2.174 -3.081 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.126 -4.871 -1.274 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.755 -5.285 -2.965 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.808 -6.009 -1.643 1.00 0.46 H new ATOM 58 N GLY A 5 -15.639 -4.570 -5.487 1.00 0.36 N ATOM 59 CA GLY A 5 -14.512 -4.196 -6.301 1.00 0.39 C ATOM 60 C GLY A 5 -13.533 -3.443 -5.460 1.00 0.33 C ATOM 61 O GLY A 5 -12.944 -2.449 -5.882 1.00 0.33 O ATOM 0 H GLY A 5 -15.534 -5.454 -4.989 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.041 -5.084 -6.723 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.840 -3.581 -7.139 1.00 0.39 H new ATOM 65 N LEU A 6 -13.390 -3.947 -4.245 1.00 0.32 N ATOM 66 CA LEU A 6 -12.564 -3.349 -3.217 1.00 0.29 C ATOM 67 C LEU A 6 -11.173 -3.103 -3.756 1.00 0.29 C ATOM 68 O LEU A 6 -10.547 -2.086 -3.473 1.00 0.33 O ATOM 69 CB LEU A 6 -12.516 -4.301 -2.025 1.00 0.29 C ATOM 70 CG LEU A 6 -12.479 -3.644 -0.656 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.662 -2.709 -0.469 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.473 -4.706 0.416 1.00 0.28 C ATOM 0 H LEU A 6 -13.857 -4.802 -3.943 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.981 -2.392 -2.904 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.387 -4.954 -2.070 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.636 -4.936 -2.126 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.568 -3.050 -0.579 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.612 -2.252 0.519 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.634 -1.930 -1.231 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.590 -3.273 -0.561 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.446 -4.232 1.397 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.374 -5.314 0.331 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.595 -5.340 0.295 1.00 0.28 H new ATOM 84 N PHE A 7 -10.716 -4.035 -4.563 1.00 0.30 N ATOM 85 CA PHE A 7 -9.450 -3.908 -5.216 1.00 0.32 C ATOM 86 C PHE A 7 -9.630 -3.241 -6.567 1.00 0.29 C ATOM 87 O PHE A 7 -9.775 -3.894 -7.601 1.00 0.32 O ATOM 88 CB PHE A 7 -8.798 -5.277 -5.331 1.00 0.41 C ATOM 89 CG PHE A 7 -7.541 -5.372 -4.535 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.442 -4.761 -3.291 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.457 -6.065 -5.026 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.280 -4.844 -2.560 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.297 -6.151 -4.299 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.207 -5.539 -3.066 1.00 0.61 C ATOM 0 H PHE A 7 -11.217 -4.897 -4.779 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.786 -3.274 -4.628 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.499 -6.040 -4.993 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.579 -5.486 -6.378 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.286 -4.216 -2.894 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.521 -6.545 -5.991 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.211 -4.366 -1.594 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.453 -6.698 -4.692 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.292 -5.606 -2.497 1.00 0.61 H new ATOM 104 N VAL A 8 -9.661 -1.922 -6.521 1.00 0.28 N ATOM 105 CA VAL A 8 -9.793 -1.106 -7.714 1.00 0.34 C ATOM 106 C VAL A 8 -8.493 -1.134 -8.505 1.00 0.44 C ATOM 107 O VAL A 8 -8.493 -1.254 -9.727 1.00 0.63 O ATOM 108 CB VAL A 8 -10.145 0.354 -7.352 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.457 1.169 -8.597 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.306 0.397 -6.370 1.00 0.33 C ATOM 0 H VAL A 8 -9.595 -1.386 -5.656 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.601 -1.517 -8.319 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.274 0.802 -6.873 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.701 2.192 -8.311 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.589 1.174 -9.256 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.305 0.726 -9.119 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.539 1.434 -6.127 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.180 -0.076 -6.819 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.032 -0.136 -5.460 1.00 0.33 H new ATOM 120 N MET A 9 -7.387 -1.019 -7.784 1.00 0.43 N ATOM 121 CA MET A 9 -6.067 -1.151 -8.372 1.00 0.65 C ATOM 122 C MET A 9 -5.073 -1.536 -7.302 1.00 0.44 C ATOM 123 O MET A 9 -5.011 -0.917 -6.237 1.00 0.44 O ATOM 124 CB MET A 9 -5.611 0.139 -9.036 1.00 1.05 C ATOM 125 CG MET A 9 -4.306 0.004 -9.804 1.00 1.45 C ATOM 126 SD MET A 9 -4.434 -1.141 -11.192 1.00 2.35 S ATOM 127 CE MET A 9 -2.772 -1.063 -11.857 1.00 2.88 C ATOM 0 H MET A 9 -7.381 -0.833 -6.781 1.00 0.43 H new ATOM 0 HA MET A 9 -6.122 -1.925 -9.138 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.390 0.481 -9.718 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.495 0.909 -8.273 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.003 0.984 -10.173 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.524 -0.338 -9.127 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.695 -1.720 -12.723 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.548 -0.039 -12.158 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.060 -1.382 -11.096 1.00 2.88 H new ATOM 137 N ARG A 10 -4.308 -2.556 -7.594 1.00 0.47 N ATOM 138 CA ARG A 10 -3.295 -3.041 -6.687 1.00 0.41 C ATOM 139 C ARG A 10 -1.932 -2.567 -7.164 1.00 0.39 C ATOM 140 O ARG A 10 -1.647 -2.598 -8.362 1.00 0.45 O ATOM 141 CB ARG A 10 -3.332 -4.572 -6.620 1.00 0.46 C ATOM 142 CG ARG A 10 -3.142 -5.249 -7.970 1.00 0.97 C ATOM 143 CD ARG A 10 -3.178 -6.766 -7.858 1.00 1.34 C ATOM 144 NE ARG A 10 -4.492 -7.270 -7.458 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.351 -7.856 -8.291 1.00 2.72 C ATOM 146 NH1 ARG A 10 -5.079 -7.940 -9.588 1.00 2.74 N ATOM 147 NH2 ARG A 10 -6.489 -8.351 -7.828 1.00 3.67 N ATOM 0 H ARG A 10 -4.369 -3.076 -8.469 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.485 -2.651 -5.687 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.554 -4.916 -5.939 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.287 -4.885 -6.198 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.923 -4.918 -8.655 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.189 -4.940 -8.400 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.902 -7.204 -8.817 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -2.432 -7.091 -7.132 1.00 1.34 H new ATOM 0 HE ARG A 10 -4.767 -7.166 -6.481 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.208 -7.555 -9.952 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -5.741 -8.390 -10.220 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -6.708 -8.283 -6.834 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -7.147 -8.800 -8.465 1.00 3.67 H new ATOM 161 N PRO A 11 -1.076 -2.092 -6.251 1.00 0.43 N ATOM 162 CA PRO A 11 0.268 -1.688 -6.616 1.00 0.50 C ATOM 163 C PRO A 11 1.143 -2.897 -6.880 1.00 0.47 C ATOM 164 O PRO A 11 0.818 -4.012 -6.471 1.00 0.54 O ATOM 165 CB PRO A 11 0.776 -0.896 -5.416 1.00 0.62 C ATOM 166 CG PRO A 11 -0.105 -1.247 -4.272 1.00 0.64 C ATOM 167 CD PRO A 11 -1.343 -1.928 -4.814 1.00 0.53 C ATOM 0 HA PRO A 11 0.285 -1.098 -7.532 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.814 -1.147 -5.197 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.743 0.175 -5.616 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.418 -1.906 -3.579 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.378 -0.351 -3.715 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.511 -2.890 -4.330 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.235 -1.325 -4.643 1.00 0.53 H new ATOM 175 N GLN A 12 2.231 -2.685 -7.585 1.00 0.44 N ATOM 176 CA GLN A 12 3.105 -3.760 -7.970 1.00 0.43 C ATOM 177 C GLN A 12 4.460 -3.553 -7.336 1.00 0.37 C ATOM 178 O GLN A 12 4.645 -2.590 -6.603 1.00 0.40 O ATOM 179 CB GLN A 12 3.189 -3.788 -9.482 1.00 0.55 C ATOM 180 CG GLN A 12 1.817 -3.894 -10.120 1.00 0.73 C ATOM 181 CD GLN A 12 1.244 -5.298 -10.018 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.371 -6.099 -10.944 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.653 -5.632 -8.875 1.00 1.32 N ATOM 0 H GLN A 12 2.531 -1.764 -7.905 1.00 0.44 H new ATOM 0 HA GLN A 12 2.722 -4.721 -7.625 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.685 -2.884 -9.835 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.802 -4.632 -9.796 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.138 -3.190 -9.638 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.883 -3.605 -11.169 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.564 -4.944 -8.127 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.289 -6.576 -8.746 1.00 1.32 H new ATOM 192 N ASP A 13 5.391 -4.456 -7.593 1.00 0.34 N ATOM 193 CA ASP A 13 6.662 -4.431 -6.985 1.00 0.33 C ATOM 194 C ASP A 13 7.493 -3.267 -7.494 1.00 0.36 C ATOM 195 O ASP A 13 6.997 -2.201 -7.870 1.00 0.50 O ATOM 196 CB ASP A 13 7.356 -5.747 -7.324 1.00 0.35 C ATOM 197 CG ASP A 13 6.442 -6.950 -7.232 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.161 -7.417 -6.113 1.00 2.06 O ATOM 199 OD2 ASP A 13 6.003 -7.439 -8.292 1.00 1.03 O ATOM 0 H ASP A 13 5.259 -5.230 -8.244 1.00 0.34 H new ATOM 0 HA ASP A 13 6.553 -4.307 -5.908 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.762 -5.685 -8.333 1.00 0.35 H new ATOM 0 HB3 ASP A 13 8.200 -5.889 -6.649 1.00 0.35 H new ATOM 204 N GLY A 14 8.759 -3.526 -7.554 1.00 0.30 N ATOM 205 CA GLY A 14 9.720 -2.517 -7.882 1.00 0.30 C ATOM 206 C GLY A 14 11.079 -2.864 -7.361 1.00 0.25 C ATOM 207 O GLY A 14 11.248 -3.287 -6.223 1.00 0.28 O ATOM 0 H GLY A 14 9.160 -4.447 -7.376 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.765 -2.394 -8.964 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.402 -1.561 -7.465 1.00 0.30 H new ATOM 211 N GLU A 15 12.034 -2.705 -8.215 1.00 0.26 N ATOM 212 CA GLU A 15 13.420 -2.931 -7.873 1.00 0.25 C ATOM 213 C GLU A 15 14.150 -1.612 -7.920 1.00 0.23 C ATOM 214 O GLU A 15 14.245 -0.986 -8.979 1.00 0.30 O ATOM 215 CB GLU A 15 14.062 -3.907 -8.853 1.00 0.33 C ATOM 216 CG GLU A 15 13.322 -5.223 -8.988 1.00 0.69 C ATOM 217 CD GLU A 15 13.878 -6.060 -10.115 1.00 1.11 C ATOM 218 OE1 GLU A 15 14.999 -6.584 -9.963 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.214 -6.163 -11.169 1.00 1.53 O ATOM 0 H GLU A 15 11.885 -2.412 -9.181 1.00 0.26 H new ATOM 0 HA GLU A 15 13.479 -3.360 -6.873 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.123 -3.434 -9.833 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.084 -4.108 -8.532 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.392 -5.778 -8.053 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.264 -5.030 -9.165 1.00 0.69 H new ATOM 226 N VAL A 16 14.661 -1.179 -6.784 1.00 0.20 N ATOM 227 CA VAL A 16 15.211 0.105 -6.661 1.00 0.21 C ATOM 228 C VAL A 16 16.500 -0.023 -5.903 1.00 0.22 C ATOM 229 O VAL A 16 16.720 -0.981 -5.173 1.00 0.27 O ATOM 230 CB VAL A 16 14.257 1.058 -5.919 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.821 0.867 -6.391 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.370 0.904 -4.405 1.00 0.23 C ATOM 0 H VAL A 16 14.694 -1.733 -5.928 1.00 0.20 H new ATOM 0 HA VAL A 16 15.380 0.526 -7.652 1.00 0.21 H new ATOM 0 HB VAL A 16 14.557 2.078 -6.161 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.167 1.552 -5.852 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.759 1.072 -7.460 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.509 -0.160 -6.200 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.681 1.593 -3.917 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.120 -0.119 -4.124 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.390 1.127 -4.092 1.00 0.23 H new ATOM 242 N THR A 17 17.334 0.923 -6.107 1.00 0.23 N ATOM 243 CA THR A 17 18.598 0.998 -5.412 1.00 0.27 C ATOM 244 C THR A 17 18.409 1.792 -4.130 1.00 0.28 C ATOM 245 O THR A 17 17.476 2.591 -4.019 1.00 0.28 O ATOM 246 CB THR A 17 19.680 1.686 -6.269 1.00 0.35 C ATOM 247 OG1 THR A 17 19.442 1.433 -7.661 1.00 0.77 O ATOM 248 CG2 THR A 17 21.073 1.194 -5.902 1.00 0.56 C ATOM 0 H THR A 17 17.174 1.685 -6.765 1.00 0.23 H new ATOM 0 HA THR A 17 18.928 -0.018 -5.198 1.00 0.27 H new ATOM 0 HB THR A 17 19.626 2.757 -6.073 1.00 0.35 H new ATOM 0 HG1 THR A 17 20.133 1.875 -8.197 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.813 1.698 -6.524 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.271 1.413 -4.853 1.00 0.56 H new ATOM 0 HG23 THR A 17 21.134 0.118 -6.066 1.00 0.56 H new ATOM 256 N VAL A 18 19.276 1.563 -3.164 1.00 0.31 N ATOM 257 CA VAL A 18 19.259 2.334 -1.949 1.00 0.35 C ATOM 258 C VAL A 18 19.642 3.735 -2.274 1.00 0.36 C ATOM 259 O VAL A 18 20.785 4.064 -2.592 1.00 0.39 O ATOM 260 CB VAL A 18 20.217 1.850 -0.874 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.932 2.548 0.446 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.158 0.350 -0.717 1.00 0.78 C ATOM 0 H VAL A 18 20.001 0.846 -3.202 1.00 0.31 H new ATOM 0 HA VAL A 18 18.249 2.236 -1.551 1.00 0.35 H new ATOM 0 HB VAL A 18 21.230 2.105 -1.187 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.627 2.189 1.205 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.053 3.624 0.322 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.910 2.332 0.759 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.856 0.038 0.060 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.147 0.053 -0.438 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.428 -0.125 -1.660 1.00 0.78 H new ATOM 272 N GLY A 19 18.646 4.515 -2.221 1.00 0.38 N ATOM 273 CA GLY A 19 18.776 5.922 -2.462 1.00 0.45 C ATOM 274 C GLY A 19 17.935 6.388 -3.626 1.00 0.40 C ATOM 275 O GLY A 19 17.993 7.563 -3.989 1.00 0.48 O ATOM 0 H GLY A 19 17.696 4.211 -2.008 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.485 6.470 -1.565 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.822 6.159 -2.655 1.00 0.45 H new ATOM 279 N GLY A 20 17.139 5.497 -4.226 1.00 0.32 N ATOM 280 CA GLY A 20 16.293 5.930 -5.276 1.00 0.32 C ATOM 281 C GLY A 20 14.952 6.249 -4.746 1.00 0.30 C ATOM 282 O GLY A 20 14.784 7.011 -3.800 1.00 0.44 O ATOM 0 H GLY A 20 17.082 4.506 -3.992 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.720 6.809 -5.759 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.217 5.153 -6.037 1.00 0.32 H new ATOM 286 N SER A 21 14.013 5.667 -5.367 1.00 0.24 N ATOM 287 CA SER A 21 12.663 5.779 -4.998 1.00 0.22 C ATOM 288 C SER A 21 11.894 4.565 -5.425 1.00 0.22 C ATOM 289 O SER A 21 12.342 3.773 -6.246 1.00 0.25 O ATOM 290 CB SER A 21 12.063 7.009 -5.608 1.00 0.30 C ATOM 291 OG SER A 21 12.328 7.096 -6.999 1.00 0.82 O ATOM 0 H SER A 21 14.167 5.073 -6.182 1.00 0.24 H new ATOM 0 HA SER A 21 12.608 5.857 -3.912 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.985 7.006 -5.444 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.460 7.892 -5.107 1.00 0.30 H new ATOM 0 HG SER A 21 11.919 7.910 -7.360 1.00 0.82 H new ATOM 297 N ILE A 22 10.742 4.463 -4.857 1.00 0.22 N ATOM 298 CA ILE A 22 9.754 3.520 -5.216 1.00 0.24 C ATOM 299 C ILE A 22 8.413 4.150 -4.994 1.00 0.25 C ATOM 300 O ILE A 22 8.219 5.033 -4.157 1.00 0.27 O ATOM 301 CB ILE A 22 9.855 2.202 -4.443 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.921 1.155 -5.032 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.564 2.381 -2.963 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.254 0.759 -6.455 1.00 0.32 C ATOM 0 H ILE A 22 10.454 5.070 -4.090 1.00 0.22 H new ATOM 0 HA ILE A 22 9.904 3.257 -6.263 1.00 0.24 H new ATOM 0 HB ILE A 22 10.885 1.859 -4.541 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.948 0.265 -4.403 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.900 1.536 -5.002 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.648 1.419 -2.457 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.281 3.081 -2.533 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.554 2.771 -2.835 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.542 0.010 -6.800 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.198 1.636 -7.099 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.262 0.346 -6.491 1.00 0.32 H new ATOM 316 N THR A 23 7.530 3.722 -5.786 1.00 0.25 N ATOM 317 CA THR A 23 6.193 4.265 -5.801 1.00 0.23 C ATOM 318 C THR A 23 5.181 3.163 -5.977 1.00 0.24 C ATOM 319 O THR A 23 5.277 2.344 -6.887 1.00 0.28 O ATOM 320 CB THR A 23 5.990 5.316 -6.903 1.00 0.26 C ATOM 321 OG1 THR A 23 7.082 6.246 -6.912 1.00 0.31 O ATOM 322 CG2 THR A 23 4.673 6.066 -6.697 1.00 0.24 C ATOM 0 H THR A 23 7.688 2.975 -6.463 1.00 0.25 H new ATOM 0 HA THR A 23 6.050 4.759 -4.840 1.00 0.23 H new ATOM 0 HB THR A 23 5.953 4.800 -7.863 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.941 6.909 -7.620 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.548 6.806 -7.488 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.843 5.360 -6.727 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.688 6.568 -5.730 1.00 0.24 H new ATOM 330 N PHE A 24 4.235 3.148 -5.083 1.00 0.24 N ATOM 331 CA PHE A 24 3.117 2.248 -5.157 1.00 0.27 C ATOM 332 C PHE A 24 1.833 3.060 -5.184 1.00 0.24 C ATOM 333 O PHE A 24 1.740 4.126 -4.575 1.00 0.30 O ATOM 334 CB PHE A 24 3.090 1.316 -3.953 1.00 0.40 C ATOM 335 CG PHE A 24 4.372 0.578 -3.702 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.772 -0.443 -4.551 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.181 0.906 -2.631 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.954 -1.124 -4.329 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.364 0.227 -2.404 1.00 0.51 C ATOM 340 CZ PHE A 24 6.740 -0.796 -3.222 1.00 0.49 C ATOM 0 H PHE A 24 4.217 3.767 -4.272 1.00 0.24 H new ATOM 0 HA PHE A 24 3.210 1.646 -6.061 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.842 1.898 -3.066 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.289 0.589 -4.091 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.153 -0.709 -5.395 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.886 1.702 -1.963 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.268 -1.904 -5.007 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.994 0.509 -1.573 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.643 -1.351 -3.015 1.00 0.49 H new ATOM 350 N SER A 25 0.862 2.539 -5.877 1.00 0.28 N ATOM 351 CA SER A 25 -0.439 3.147 -5.985 1.00 0.28 C ATOM 352 C SER A 25 -1.503 2.095 -5.736 1.00 0.27 C ATOM 353 O SER A 25 -1.604 1.095 -6.445 1.00 0.31 O ATOM 354 CB SER A 25 -0.640 3.767 -7.355 1.00 0.35 C ATOM 355 OG SER A 25 0.583 3.837 -8.075 1.00 0.58 O ATOM 0 H SER A 25 0.951 1.664 -6.393 1.00 0.28 H new ATOM 0 HA SER A 25 -0.517 3.940 -5.241 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.364 3.179 -7.920 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.058 4.768 -7.246 1.00 0.35 H new ATOM 0 HG SER A 25 0.422 4.239 -8.954 1.00 0.58 H new ATOM 361 N ALA A 26 -2.279 2.344 -4.725 1.00 0.26 N ATOM 362 CA ALA A 26 -3.273 1.396 -4.247 1.00 0.26 C ATOM 363 C ALA A 26 -4.651 2.037 -4.198 1.00 0.22 C ATOM 364 O ALA A 26 -4.864 3.025 -3.503 1.00 0.25 O ATOM 365 CB ALA A 26 -2.863 0.889 -2.876 1.00 0.32 C ATOM 0 H ALA A 26 -2.250 3.215 -4.195 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.327 0.554 -4.938 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.606 0.178 -2.514 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.893 0.397 -2.945 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.796 1.728 -2.183 1.00 0.32 H new ATOM 371 N ARG A 27 -5.582 1.475 -4.941 1.00 0.22 N ATOM 372 CA ARG A 27 -6.919 2.036 -5.029 1.00 0.25 C ATOM 373 C ARG A 27 -7.942 1.092 -4.414 1.00 0.23 C ATOM 374 O ARG A 27 -8.016 -0.076 -4.793 1.00 0.31 O ATOM 375 CB ARG A 27 -7.290 2.298 -6.486 1.00 0.36 C ATOM 376 CG ARG A 27 -6.260 3.103 -7.257 1.00 0.28 C ATOM 377 CD ARG A 27 -6.740 3.387 -8.666 1.00 0.46 C ATOM 378 NE ARG A 27 -7.806 4.382 -8.681 1.00 1.22 N ATOM 379 CZ ARG A 27 -8.610 4.608 -9.717 1.00 1.55 C ATOM 380 NH1 ARG A 27 -8.473 3.922 -10.848 1.00 1.46 N ATOM 381 NH2 ARG A 27 -9.556 5.531 -9.624 1.00 2.43 N ATOM 0 H ARG A 27 -5.440 0.630 -5.494 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.925 2.976 -4.477 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.438 1.342 -6.989 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.244 2.825 -6.517 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.064 4.042 -6.739 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.318 2.556 -7.293 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.905 3.739 -9.271 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.097 2.464 -9.122 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.945 4.943 -7.840 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.745 3.212 -10.929 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -9.096 4.105 -11.634 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -9.665 6.064 -8.761 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -10.175 5.708 -10.415 1.00 2.43 H new ATOM 395 N VAL A 28 -8.741 1.606 -3.491 1.00 0.19 N ATOM 396 CA VAL A 28 -9.748 0.813 -2.831 1.00 0.20 C ATOM 397 C VAL A 28 -11.097 1.460 -2.960 1.00 0.23 C ATOM 398 O VAL A 28 -11.274 2.654 -2.717 1.00 0.24 O ATOM 399 CB VAL A 28 -9.475 0.598 -1.338 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.481 -0.396 -0.763 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.051 0.127 -1.126 1.00 0.23 C ATOM 0 H VAL A 28 -8.705 2.578 -3.185 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.723 -0.157 -3.327 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.594 1.545 -0.811 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.281 -0.544 0.298 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.491 -0.007 -0.891 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.391 -1.348 -1.285 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.872 -0.021 -0.061 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.896 -0.814 -1.655 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.359 0.877 -1.509 1.00 0.23 H new ATOM 411 N ALA A 29 -12.016 0.646 -3.376 1.00 0.29 N ATOM 412 CA ALA A 29 -13.407 1.006 -3.460 1.00 0.32 C ATOM 413 C ALA A 29 -13.958 1.322 -2.087 1.00 0.34 C ATOM 414 O ALA A 29 -14.067 0.448 -1.229 1.00 0.40 O ATOM 415 CB ALA A 29 -14.218 -0.102 -4.112 1.00 0.38 C ATOM 0 H ALA A 29 -11.821 -0.310 -3.675 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.487 1.898 -4.082 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.265 0.196 -4.163 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.843 -0.283 -5.119 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.128 -1.014 -3.522 1.00 0.38 H new ATOM 421 N GLY A 30 -14.264 2.592 -1.898 1.00 0.35 N ATOM 422 CA GLY A 30 -14.983 3.047 -0.720 1.00 0.42 C ATOM 423 C GLY A 30 -16.173 2.158 -0.416 1.00 0.50 C ATOM 424 O GLY A 30 -16.458 1.856 0.742 1.00 0.76 O ATOM 0 H GLY A 30 -14.023 3.336 -2.553 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.309 3.059 0.136 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.323 4.071 -0.873 1.00 0.42 H new ATOM 428 N ALA A 31 -16.854 1.756 -1.488 1.00 0.49 N ATOM 429 CA ALA A 31 -17.925 0.764 -1.447 1.00 0.55 C ATOM 430 C ALA A 31 -18.987 1.063 -0.384 1.00 0.64 C ATOM 431 O ALA A 31 -19.192 2.216 0.008 1.00 0.71 O ATOM 432 CB ALA A 31 -17.323 -0.608 -1.228 1.00 0.58 C ATOM 0 H ALA A 31 -16.673 2.117 -2.425 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.443 0.801 -2.405 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.118 -1.353 -1.196 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.640 -0.840 -2.045 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -16.777 -0.619 -0.285 1.00 0.58 H new ATOM 438 N SER A 32 -19.686 0.021 0.054 1.00 0.85 N ATOM 439 CA SER A 32 -20.717 0.168 1.068 1.00 0.96 C ATOM 440 C SER A 32 -20.390 -0.672 2.302 1.00 1.01 C ATOM 441 O SER A 32 -20.823 -1.818 2.427 1.00 1.69 O ATOM 442 CB SER A 32 -22.083 -0.222 0.494 1.00 1.19 C ATOM 443 OG SER A 32 -22.375 0.549 -0.664 1.00 1.74 O ATOM 0 H SER A 32 -19.555 -0.934 -0.279 1.00 0.85 H new ATOM 0 HA SER A 32 -20.754 1.214 1.374 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.089 -1.283 0.243 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.857 -0.068 1.246 1.00 1.19 H new ATOM 0 HG SER A 32 -23.250 0.287 -1.020 1.00 1.74 H new ATOM 449 N LEU A 33 -19.577 -0.103 3.178 1.00 0.96 N ATOM 450 CA LEU A 33 -19.274 -0.698 4.471 1.00 0.93 C ATOM 451 C LEU A 33 -19.840 0.202 5.555 1.00 0.90 C ATOM 452 O LEU A 33 -19.989 1.405 5.344 1.00 0.98 O ATOM 453 CB LEU A 33 -17.740 -0.910 4.595 1.00 0.99 C ATOM 454 CG LEU A 33 -17.089 -0.907 5.998 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.750 -1.882 6.959 1.00 2.16 C ATOM 456 CD2 LEU A 33 -15.596 -1.209 5.953 1.00 1.95 C ATOM 0 H LEU A 33 -19.107 0.787 3.012 1.00 0.96 H new ATOM 0 HA LEU A 33 -19.735 -1.680 4.579 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -17.502 -1.864 4.125 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -17.253 -0.133 4.006 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.239 0.108 6.365 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.250 -1.835 7.926 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -18.800 -1.618 7.080 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.674 -2.894 6.560 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -15.191 -1.194 6.965 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -15.437 -2.194 5.513 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -15.090 -0.456 5.349 1.00 1.95 H new ATOM 468 N LEU A 34 -20.209 -0.404 6.677 1.00 0.87 N ATOM 469 CA LEU A 34 -20.733 0.314 7.829 1.00 0.89 C ATOM 470 C LEU A 34 -19.910 1.571 8.122 1.00 0.84 C ATOM 471 O LEU A 34 -20.432 2.615 8.508 1.00 0.95 O ATOM 472 CB LEU A 34 -20.724 -0.592 9.050 1.00 1.01 C ATOM 473 CG LEU A 34 -21.382 0.029 10.267 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.895 0.029 10.121 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.952 -0.676 11.541 1.00 1.47 C ATOM 0 H LEU A 34 -20.152 -1.413 6.812 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.755 0.617 7.600 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.235 -1.523 8.806 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.693 -0.849 9.295 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.052 1.065 10.337 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.346 0.479 11.005 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.175 0.604 9.238 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.250 -0.996 10.014 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.439 -0.210 12.397 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.237 -1.727 11.489 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.870 -0.598 11.652 1.00 1.47 H new ATOM 487 N LYS A 35 -18.619 1.432 7.927 1.00 0.76 N ATOM 488 CA LYS A 35 -17.657 2.503 8.084 1.00 0.76 C ATOM 489 C LYS A 35 -16.793 2.556 6.821 1.00 0.65 C ATOM 490 O LYS A 35 -17.019 1.789 5.901 1.00 0.75 O ATOM 491 CB LYS A 35 -16.846 2.276 9.374 1.00 0.90 C ATOM 492 CG LYS A 35 -16.601 0.818 9.722 1.00 0.92 C ATOM 493 CD LYS A 35 -15.394 0.249 8.990 1.00 0.90 C ATOM 494 CE LYS A 35 -14.970 -1.084 9.587 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.720 -0.986 11.052 1.00 1.40 N ATOM 0 H LYS A 35 -18.196 0.547 7.647 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.142 3.473 8.193 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.884 2.778 9.275 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.369 2.750 10.204 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.450 0.723 10.797 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.486 0.232 9.471 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.633 0.119 7.935 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.566 0.955 9.044 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.745 -1.827 9.401 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.066 -1.434 9.088 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.058 -1.734 11.342 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.310 -0.056 11.273 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.617 -1.100 11.566 1.00 1.40 H new ATOM 509 N PRO A 36 -15.854 3.482 6.713 1.00 0.65 N ATOM 510 CA PRO A 36 -14.914 3.489 5.606 1.00 0.56 C ATOM 511 C PRO A 36 -14.018 2.260 5.676 1.00 0.45 C ATOM 512 O PRO A 36 -13.712 1.776 6.770 1.00 0.47 O ATOM 513 CB PRO A 36 -14.096 4.772 5.810 1.00 0.61 C ATOM 514 CG PRO A 36 -14.824 5.544 6.854 1.00 0.88 C ATOM 515 CD PRO A 36 -15.586 4.536 7.658 1.00 0.88 C ATOM 0 HA PRO A 36 -15.404 3.464 4.633 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.079 4.543 6.129 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.019 5.340 4.883 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.129 6.100 7.483 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.498 6.272 6.402 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -15.003 4.176 8.506 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -16.507 4.958 8.060 1.00 0.88 H new ATOM 523 N PRO A 37 -13.620 1.723 4.517 1.00 0.40 N ATOM 524 CA PRO A 37 -12.731 0.558 4.434 1.00 0.35 C ATOM 525 C PRO A 37 -11.552 0.646 5.354 1.00 0.32 C ATOM 526 O PRO A 37 -10.945 1.705 5.515 1.00 0.36 O ATOM 527 CB PRO A 37 -12.213 0.642 3.025 1.00 0.40 C ATOM 528 CG PRO A 37 -13.359 1.212 2.258 1.00 0.53 C ATOM 529 CD PRO A 37 -13.994 2.216 3.175 1.00 0.47 C ATOM 0 HA PRO A 37 -13.260 -0.356 4.702 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.331 1.280 2.960 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -11.926 -0.338 2.645 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.019 1.683 1.336 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.068 0.434 1.976 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.616 3.223 2.995 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.076 2.253 3.046 1.00 0.47 H new ATOM 537 N VAL A 38 -11.207 -0.471 5.940 1.00 0.29 N ATOM 538 CA VAL A 38 -9.965 -0.533 6.632 1.00 0.27 C ATOM 539 C VAL A 38 -8.980 -1.212 5.736 1.00 0.22 C ATOM 540 O VAL A 38 -8.911 -2.431 5.619 1.00 0.20 O ATOM 541 CB VAL A 38 -10.054 -1.222 8.009 1.00 0.31 C ATOM 542 CG1 VAL A 38 -10.566 -2.652 7.935 1.00 0.72 C ATOM 543 CG2 VAL A 38 -8.714 -1.175 8.730 1.00 0.77 C ATOM 0 H VAL A 38 -11.760 -1.328 5.948 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.643 0.483 6.861 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.789 -0.656 8.581 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -10.604 -3.077 8.938 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -11.565 -2.659 7.500 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.896 -3.247 7.314 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -8.804 -1.668 9.698 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -7.961 -1.687 8.131 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -8.416 -0.137 8.877 1.00 0.77 H new ATOM 553 N VAL A 39 -8.249 -0.382 5.084 1.00 0.22 N ATOM 554 CA VAL A 39 -7.122 -0.796 4.334 1.00 0.21 C ATOM 555 C VAL A 39 -5.918 -0.534 5.178 1.00 0.20 C ATOM 556 O VAL A 39 -5.585 0.608 5.496 1.00 0.23 O ATOM 557 CB VAL A 39 -6.945 -0.013 3.037 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.069 -0.787 2.067 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.290 0.353 2.428 1.00 0.24 C ATOM 0 H VAL A 39 -8.422 0.623 5.057 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.257 -1.846 4.072 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.437 0.925 3.263 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.952 -0.215 1.146 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.090 -0.956 2.516 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.535 -1.746 1.842 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.132 0.910 1.505 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.851 -0.556 2.211 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.853 0.967 3.131 1.00 0.24 H new ATOM 569 N LYS A 40 -5.297 -1.587 5.537 1.00 0.19 N ATOM 570 CA LYS A 40 -4.107 -1.541 6.300 1.00 0.20 C ATOM 571 C LYS A 40 -2.953 -1.906 5.444 1.00 0.19 C ATOM 572 O LYS A 40 -2.950 -2.894 4.708 1.00 0.21 O ATOM 573 CB LYS A 40 -4.178 -2.442 7.521 1.00 0.26 C ATOM 574 CG LYS A 40 -4.574 -3.876 7.211 1.00 0.31 C ATOM 575 CD LYS A 40 -3.362 -4.775 6.936 1.00 0.37 C ATOM 576 CE LYS A 40 -2.784 -5.342 8.221 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.731 -6.277 8.886 1.00 1.54 N ATOM 0 H LYS A 40 -5.606 -2.531 5.305 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.979 -0.522 6.666 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.207 -2.443 8.015 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.895 -2.023 8.227 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.141 -4.282 8.049 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.235 -3.888 6.344 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.656 -5.592 6.277 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.596 -4.203 6.413 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.852 -5.863 8.002 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.540 -4.526 8.901 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.198 -7.046 9.341 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.279 -5.763 9.605 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.379 -6.677 8.178 1.00 1.54 H new ATOM 591 N TRP A 41 -2.028 -1.035 5.492 1.00 0.18 N ATOM 592 CA TRP A 41 -0.769 -1.238 4.868 1.00 0.19 C ATOM 593 C TRP A 41 0.217 -1.913 5.798 1.00 0.21 C ATOM 594 O TRP A 41 0.200 -1.717 7.013 1.00 0.28 O ATOM 595 CB TRP A 41 -0.241 0.099 4.436 1.00 0.21 C ATOM 596 CG TRP A 41 -1.011 0.668 3.313 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.128 1.443 3.374 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.722 0.469 1.948 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.501 1.805 2.098 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.662 1.193 1.210 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.266 -0.241 1.283 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.641 1.216 -0.168 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.280 -0.228 -0.086 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.667 0.498 -0.799 1.00 0.33 C ATOM 0 H TRP A 41 -2.117 -0.140 5.973 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.899 -1.897 4.010 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.270 0.789 5.280 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.804 -0.003 4.143 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.641 1.729 4.280 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.274 2.426 1.857 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.011 -0.794 1.835 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.370 1.782 -0.729 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.035 -0.788 -0.618 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.631 0.494 -1.878 1.00 0.33 H new ATOM 615 N PHE A 42 1.069 -2.701 5.200 1.00 0.21 N ATOM 616 CA PHE A 42 2.183 -3.306 5.885 1.00 0.23 C ATOM 617 C PHE A 42 3.394 -3.061 5.038 1.00 0.26 C ATOM 618 O PHE A 42 3.403 -3.364 3.854 1.00 0.34 O ATOM 619 CB PHE A 42 1.945 -4.802 6.130 1.00 0.26 C ATOM 620 CG PHE A 42 3.199 -5.643 6.226 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.958 -5.647 7.387 1.00 0.49 C ATOM 622 CD2 PHE A 42 3.621 -6.422 5.160 1.00 0.37 C ATOM 623 CE1 PHE A 42 5.104 -6.412 7.484 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.769 -7.192 5.253 1.00 0.50 C ATOM 625 CZ PHE A 42 5.506 -7.193 6.392 1.00 0.60 C ATOM 0 H PHE A 42 1.010 -2.945 4.211 1.00 0.21 H new ATOM 0 HA PHE A 42 2.317 -2.867 6.874 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.377 -4.917 7.053 1.00 0.26 H new ATOM 0 HB3 PHE A 42 1.325 -5.193 5.323 1.00 0.26 H new ATOM 0 HD1 PHE A 42 3.648 -5.043 8.227 1.00 0.49 H new ATOM 0 HD2 PHE A 42 3.047 -6.429 4.245 1.00 0.37 H new ATOM 0 HE1 PHE A 42 5.686 -6.408 8.394 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.079 -7.796 4.413 1.00 0.50 H new ATOM 0 HZ PHE A 42 6.401 -7.794 6.457 1.00 0.60 H new ATOM 635 N LYS A 43 4.398 -2.481 5.632 1.00 0.28 N ATOM 636 CA LYS A 43 5.555 -2.074 4.885 1.00 0.31 C ATOM 637 C LYS A 43 6.597 -3.132 5.071 1.00 0.39 C ATOM 638 O LYS A 43 7.138 -3.275 6.173 1.00 0.81 O ATOM 639 CB LYS A 43 6.095 -0.744 5.389 1.00 0.40 C ATOM 640 CG LYS A 43 7.522 -0.466 4.945 1.00 0.54 C ATOM 641 CD LYS A 43 7.931 0.975 5.184 1.00 0.67 C ATOM 642 CE LYS A 43 7.890 1.360 6.655 1.00 1.29 C ATOM 643 NZ LYS A 43 6.503 1.617 7.124 1.00 2.17 N ATOM 0 H LYS A 43 4.439 -2.279 6.631 1.00 0.28 H new ATOM 0 HA LYS A 43 5.291 -1.949 3.835 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.449 0.060 5.035 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.052 -0.732 6.478 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.202 -1.128 5.481 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.622 -0.698 3.885 1.00 0.54 H new ATOM 0 HD2 LYS A 43 8.939 1.131 4.800 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.270 1.634 4.621 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.332 0.562 7.251 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.498 2.251 6.814 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 6.333 1.095 8.007 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 6.377 2.635 7.294 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 5.827 1.301 6.399 1.00 2.17 H new ATOM 657 N GLY A 44 6.892 -3.886 4.049 1.00 0.64 N ATOM 658 CA GLY A 44 7.672 -5.050 4.333 1.00 0.92 C ATOM 659 C GLY A 44 9.144 -4.813 4.414 1.00 0.39 C ATOM 660 O GLY A 44 9.860 -4.829 3.420 1.00 1.23 O ATOM 0 H GLY A 44 6.625 -3.731 3.077 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.334 -5.475 5.278 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.480 -5.796 3.562 1.00 0.92 H new ATOM 664 N LYS A 45 9.567 -4.562 5.621 1.00 0.85 N ATOM 665 CA LYS A 45 10.699 -5.200 6.208 1.00 1.06 C ATOM 666 C LYS A 45 10.062 -6.159 7.200 1.00 0.74 C ATOM 667 O LYS A 45 10.280 -7.371 7.221 1.00 0.82 O ATOM 668 CB LYS A 45 11.600 -4.185 6.925 1.00 1.67 C ATOM 669 CG LYS A 45 13.090 -4.400 6.717 1.00 2.44 C ATOM 670 CD LYS A 45 13.417 -5.869 6.579 1.00 2.82 C ATOM 671 CE LYS A 45 14.845 -6.178 7.016 1.00 2.98 C ATOM 672 NZ LYS A 45 15.107 -5.795 8.432 1.00 3.87 N ATOM 0 H LYS A 45 9.116 -3.886 6.238 1.00 0.85 H new ATOM 0 HA LYS A 45 11.343 -5.692 5.479 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.340 -3.183 6.582 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.387 -4.222 7.993 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.416 -3.867 5.824 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.642 -3.980 7.558 1.00 2.44 H new ATOM 0 HD2 LYS A 45 12.719 -6.454 7.179 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.281 -6.175 5.542 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.037 -7.244 6.890 1.00 2.98 H new ATOM 0 HE3 LYS A 45 15.542 -5.650 6.366 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.529 -6.600 8.937 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.763 -4.988 8.458 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.212 -5.529 8.891 1.00 3.87 H new ATOM 686 N TRP A 46 9.223 -5.504 8.011 1.00 0.58 N ATOM 687 CA TRP A 46 8.409 -6.104 9.066 1.00 0.57 C ATOM 688 C TRP A 46 7.342 -5.119 9.585 1.00 0.63 C ATOM 689 O TRP A 46 6.536 -5.452 10.451 1.00 0.74 O ATOM 690 CB TRP A 46 9.302 -6.416 10.238 1.00 0.76 C ATOM 691 CG TRP A 46 10.331 -5.353 10.456 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.514 -5.233 9.803 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.259 -4.257 11.367 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.160 -4.092 10.185 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.423 -3.484 11.175 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.321 -3.845 12.317 1.00 1.66 C ATOM 697 CZ2 TRP A 46 11.667 -2.322 11.900 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.566 -2.695 13.036 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.728 -1.943 12.825 1.00 2.11 C ATOM 0 H TRP A 46 9.089 -4.495 7.944 1.00 0.58 H new ATOM 0 HA TRP A 46 7.927 -6.990 8.653 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.696 -6.524 11.137 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.798 -7.372 10.072 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.892 -5.942 9.081 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.040 -3.749 9.801 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.421 -4.417 12.485 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 12.563 -1.740 11.740 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.849 -2.368 13.775 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.888 -1.045 13.403 1.00 2.11 H new ATOM 710 N VAL A 47 7.357 -3.919 9.033 1.00 0.63 N ATOM 711 CA VAL A 47 6.779 -2.761 9.607 1.00 0.74 C ATOM 712 C VAL A 47 5.382 -2.509 9.111 1.00 0.59 C ATOM 713 O VAL A 47 4.898 -3.093 8.156 1.00 0.57 O ATOM 714 CB VAL A 47 7.618 -1.501 9.301 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.031 -0.837 10.588 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.846 -1.814 8.452 1.00 1.29 C ATOM 0 H VAL A 47 7.798 -3.738 8.131 1.00 0.63 H new ATOM 0 HA VAL A 47 6.753 -2.951 10.680 1.00 0.74 H new ATOM 0 HB VAL A 47 6.992 -0.823 8.721 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.623 0.051 10.366 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.143 -0.550 11.151 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.627 -1.531 11.181 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.402 -0.896 8.264 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.483 -2.523 8.981 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.531 -2.248 7.503 1.00 1.29 H new ATOM 726 N ASP A 48 4.805 -1.573 9.774 1.00 0.60 N ATOM 727 CA ASP A 48 3.525 -1.014 9.463 1.00 0.56 C ATOM 728 C ASP A 48 3.795 0.346 8.881 1.00 0.58 C ATOM 729 O ASP A 48 4.806 0.960 9.203 1.00 0.96 O ATOM 730 CB ASP A 48 2.700 -0.873 10.736 1.00 0.73 C ATOM 731 CG ASP A 48 1.471 -0.010 10.561 1.00 1.88 C ATOM 732 OD1 ASP A 48 0.650 -0.307 9.678 1.00 2.73 O ATOM 733 OD2 ASP A 48 1.335 0.984 11.305 1.00 2.22 O ATOM 0 H ASP A 48 5.232 -1.147 10.597 1.00 0.60 H new ATOM 0 HA ASP A 48 2.970 -1.646 8.769 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.395 -1.863 11.074 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.326 -0.447 11.521 1.00 0.73 H new ATOM 738 N LEU A 49 2.949 0.800 8.009 1.00 0.39 N ATOM 739 CA LEU A 49 3.098 2.131 7.471 1.00 0.35 C ATOM 740 C LEU A 49 2.395 3.138 8.332 1.00 0.41 C ATOM 741 O LEU A 49 2.936 4.208 8.558 1.00 0.44 O ATOM 742 CB LEU A 49 2.574 2.266 6.040 1.00 0.29 C ATOM 743 CG LEU A 49 3.362 1.572 4.925 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.923 0.151 4.709 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.157 2.298 3.632 1.00 0.28 C ATOM 0 H LEU A 49 2.149 0.277 7.651 1.00 0.39 H new ATOM 0 HA LEU A 49 4.171 2.322 7.458 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.554 1.882 6.019 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.520 3.328 5.801 1.00 0.29 H new ATOM 0 HG LEU A 49 4.407 1.580 5.235 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.513 -0.294 3.908 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.069 -0.418 5.627 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.868 0.134 4.435 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.720 1.800 2.842 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.097 2.297 3.378 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.505 3.326 3.733 1.00 0.28 H new ATOM 757 N SER A 50 1.247 2.765 8.883 1.00 0.48 N ATOM 758 CA SER A 50 0.362 3.711 9.552 1.00 0.58 C ATOM 759 C SER A 50 1.104 4.349 10.705 1.00 0.62 C ATOM 760 O SER A 50 0.748 5.422 11.193 1.00 0.70 O ATOM 761 CB SER A 50 -0.906 3.006 10.053 1.00 0.73 C ATOM 762 OG SER A 50 -1.863 3.937 10.538 1.00 1.23 O ATOM 0 H SER A 50 0.904 1.804 8.879 1.00 0.48 H new ATOM 0 HA SER A 50 0.057 4.482 8.844 1.00 0.58 H new ATOM 0 HB2 SER A 50 -1.343 2.422 9.243 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.645 2.305 10.846 1.00 0.73 H new ATOM 0 HG SER A 50 -2.659 3.457 10.848 1.00 1.23 H new ATOM 768 N SER A 51 2.159 3.679 11.114 1.00 0.64 N ATOM 769 CA SER A 51 2.926 4.103 12.224 1.00 0.75 C ATOM 770 C SER A 51 3.982 5.106 11.806 1.00 0.72 C ATOM 771 O SER A 51 4.394 5.961 12.579 1.00 0.85 O ATOM 772 CB SER A 51 3.584 2.899 12.866 1.00 0.90 C ATOM 773 OG SER A 51 2.624 2.026 13.430 1.00 1.34 O ATOM 0 H SER A 51 2.496 2.824 10.672 1.00 0.64 H new ATOM 0 HA SER A 51 2.264 4.589 12.940 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.172 2.363 12.121 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.276 3.230 13.640 1.00 0.90 H new ATOM 0 HG SER A 51 2.297 1.410 12.741 1.00 1.34 H new ATOM 779 N LYS A 52 4.414 4.977 10.570 1.00 0.62 N ATOM 780 CA LYS A 52 5.520 5.741 10.050 1.00 0.66 C ATOM 781 C LYS A 52 5.036 6.848 9.130 1.00 0.67 C ATOM 782 O LYS A 52 5.068 8.018 9.500 1.00 1.09 O ATOM 783 CB LYS A 52 6.471 4.812 9.290 1.00 0.65 C ATOM 784 CG LYS A 52 6.319 3.333 9.591 1.00 0.70 C ATOM 785 CD LYS A 52 6.546 2.974 11.052 1.00 0.78 C ATOM 786 CE LYS A 52 7.956 3.306 11.512 1.00 1.02 C ATOM 787 NZ LYS A 52 8.066 3.371 12.995 1.00 1.40 N ATOM 0 H LYS A 52 4.002 4.333 9.895 1.00 0.62 H new ATOM 0 HA LYS A 52 6.045 6.201 10.887 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.323 4.964 8.221 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.496 5.107 9.515 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.318 3.014 9.300 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.023 2.773 8.976 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.828 3.510 11.672 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.360 1.910 11.196 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.647 2.553 11.131 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.259 4.262 11.085 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.045 3.600 13.261 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.427 4.107 13.359 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.803 2.451 13.403 1.00 1.40 H new ATOM 801 N VAL A 53 4.566 6.422 7.957 1.00 0.34 N ATOM 802 CA VAL A 53 4.080 7.267 6.876 1.00 0.32 C ATOM 803 C VAL A 53 4.557 8.710 6.982 1.00 0.33 C ATOM 804 O VAL A 53 3.888 9.581 7.539 1.00 0.37 O ATOM 805 CB VAL A 53 2.552 7.137 6.817 1.00 0.32 C ATOM 806 CG1 VAL A 53 1.897 8.135 5.880 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.189 5.739 6.383 1.00 0.35 C ATOM 0 H VAL A 53 4.513 5.429 7.728 1.00 0.34 H new ATOM 0 HA VAL A 53 4.505 6.923 5.933 1.00 0.32 H new ATOM 0 HB VAL A 53 2.178 7.350 7.818 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.817 7.986 5.887 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.126 9.148 6.210 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.277 7.988 4.869 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.104 5.642 6.340 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.611 5.543 5.397 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.589 5.020 7.098 1.00 0.35 H new ATOM 817 N GLY A 54 5.743 8.940 6.444 1.00 0.35 N ATOM 818 CA GLY A 54 6.382 10.233 6.598 1.00 0.41 C ATOM 819 C GLY A 54 7.439 10.518 5.548 1.00 0.44 C ATOM 820 O GLY A 54 7.212 10.308 4.359 1.00 0.70 O ATOM 0 H GLY A 54 6.276 8.258 5.904 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.621 11.012 6.556 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.839 10.287 7.586 1.00 0.41 H new ATOM 824 N GLN A 55 8.611 10.956 6.010 1.00 0.36 N ATOM 825 CA GLN A 55 9.662 11.510 5.147 1.00 0.43 C ATOM 826 C GLN A 55 9.977 10.650 3.926 1.00 0.39 C ATOM 827 O GLN A 55 9.961 11.143 2.800 1.00 0.50 O ATOM 828 CB GLN A 55 10.944 11.730 5.955 1.00 0.61 C ATOM 829 CG GLN A 55 12.157 12.075 5.106 1.00 1.43 C ATOM 830 CD GLN A 55 13.428 12.234 5.919 1.00 2.08 C ATOM 831 OE1 GLN A 55 14.321 12.990 5.544 1.00 2.75 O ATOM 832 NE2 GLN A 55 13.520 11.529 7.039 1.00 2.69 N ATOM 0 H GLN A 55 8.862 10.937 6.999 1.00 0.36 H new ATOM 0 HA GLN A 55 9.273 12.457 4.772 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.776 12.532 6.673 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.159 10.829 6.529 1.00 0.61 H new ATOM 0 HG2 GLN A 55 12.305 11.294 4.361 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.962 13.000 4.564 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.757 10.912 7.317 1.00 2.69 H new ATOM 0 HE22 GLN A 55 14.354 11.604 7.622 1.00 2.69 H new ATOM 841 N HIS A 56 10.281 9.380 4.133 1.00 0.36 N ATOM 842 CA HIS A 56 10.736 8.551 3.020 1.00 0.41 C ATOM 843 C HIS A 56 9.577 7.849 2.340 1.00 0.35 C ATOM 844 O HIS A 56 9.552 7.724 1.127 1.00 0.42 O ATOM 845 CB HIS A 56 11.793 7.544 3.479 1.00 0.54 C ATOM 846 CG HIS A 56 11.275 6.345 4.213 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.140 5.109 3.620 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.866 6.193 5.492 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.665 4.252 4.502 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.492 4.882 5.651 1.00 1.33 N ATOM 0 H HIS A 56 10.225 8.906 5.035 1.00 0.36 H new ATOM 0 HA HIS A 56 11.197 9.213 2.287 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.345 7.201 2.604 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.505 8.061 4.122 1.00 0.54 H new ATOM 0 HD2 HIS A 56 10.838 6.962 6.250 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.453 3.209 4.317 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.139 4.464 6.512 1.00 1.33 H new ATOM 859 N LEU A 57 8.625 7.415 3.127 1.00 0.28 N ATOM 860 CA LEU A 57 7.423 6.818 2.618 1.00 0.25 C ATOM 861 C LEU A 57 6.241 7.575 3.155 1.00 0.23 C ATOM 862 O LEU A 57 5.946 7.536 4.336 1.00 0.29 O ATOM 863 CB LEU A 57 7.413 5.311 2.936 1.00 0.38 C ATOM 864 CG LEU A 57 6.125 4.575 3.428 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.895 4.770 4.918 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.893 4.971 2.627 1.00 1.10 C ATOM 0 H LEU A 57 8.665 7.468 4.145 1.00 0.28 H new ATOM 0 HA LEU A 57 7.370 6.888 1.531 1.00 0.25 H new ATOM 0 HB2 LEU A 57 7.742 4.797 2.033 1.00 0.38 H new ATOM 0 HB3 LEU A 57 8.178 5.145 3.694 1.00 0.38 H new ATOM 0 HG LEU A 57 6.294 3.512 3.256 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.990 4.242 5.219 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.746 4.375 5.472 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.784 5.833 5.133 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.024 4.433 3.006 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.726 6.044 2.723 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.045 4.720 1.577 1.00 1.10 H new ATOM 878 N GLN A 58 5.607 8.304 2.277 1.00 0.20 N ATOM 879 CA GLN A 58 4.350 8.875 2.555 1.00 0.21 C ATOM 880 C GLN A 58 3.325 7.939 1.983 1.00 0.18 C ATOM 881 O GLN A 58 3.251 7.728 0.775 1.00 0.19 O ATOM 882 CB GLN A 58 4.198 10.246 1.891 1.00 0.27 C ATOM 883 CG GLN A 58 5.367 11.199 2.092 1.00 0.46 C ATOM 884 CD GLN A 58 6.504 10.992 1.110 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.487 11.526 0.005 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.518 10.265 1.529 1.00 0.28 N ATOM 0 H GLN A 58 5.965 8.511 1.345 1.00 0.20 H new ATOM 0 HA GLN A 58 4.233 9.017 3.629 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.050 10.099 0.821 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.294 10.719 2.275 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.007 12.224 2.005 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.749 11.081 3.106 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.492 9.839 2.455 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.330 10.128 0.928 1.00 0.28 H new ATOM 895 N LEU A 59 2.560 7.393 2.856 1.00 0.20 N ATOM 896 CA LEU A 59 1.420 6.603 2.491 1.00 0.20 C ATOM 897 C LEU A 59 0.247 7.565 2.533 1.00 0.21 C ATOM 898 O LEU A 59 -0.336 7.831 3.579 1.00 0.23 O ATOM 899 CB LEU A 59 1.261 5.431 3.490 1.00 0.23 C ATOM 900 CG LEU A 59 0.290 4.292 3.164 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.026 3.556 4.451 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.998 4.775 2.534 1.00 0.23 C ATOM 0 H LEU A 59 2.702 7.478 3.862 1.00 0.20 H new ATOM 0 HA LEU A 59 1.506 6.148 1.504 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.247 4.989 3.635 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.958 5.856 4.447 1.00 0.23 H new ATOM 0 HG LEU A 59 0.739 3.635 2.419 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.664 2.733 4.265 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.963 3.162 4.844 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.413 4.240 5.178 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.644 3.922 2.327 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.505 5.456 3.218 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.775 5.296 1.603 1.00 0.23 H new ATOM 914 N HIS A 60 -0.020 8.133 1.381 1.00 0.22 N ATOM 915 CA HIS A 60 -1.088 9.050 1.182 1.00 0.25 C ATOM 916 C HIS A 60 -2.359 8.312 0.978 1.00 0.24 C ATOM 917 O HIS A 60 -2.389 7.123 0.693 1.00 0.26 O ATOM 918 CB HIS A 60 -0.877 9.936 -0.042 1.00 0.37 C ATOM 919 CG HIS A 60 0.064 11.079 0.142 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.424 11.913 -0.891 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.683 11.557 1.245 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.225 12.853 -0.431 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.399 12.664 0.865 1.00 2.03 N ATOM 0 H HIS A 60 0.525 7.956 0.537 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.125 9.676 2.074 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.510 9.315 -0.859 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.844 10.332 -0.353 1.00 0.37 H new ATOM 0 HD2 HIS A 60 0.625 11.144 2.241 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.666 13.646 -1.016 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.970 13.244 1.480 1.00 2.03 H new ATOM 932 N ASP A 61 -3.378 9.054 1.133 1.00 0.29 N ATOM 933 CA ASP A 61 -4.702 8.615 0.897 1.00 0.32 C ATOM 934 C ASP A 61 -5.477 9.700 0.207 1.00 0.35 C ATOM 935 O ASP A 61 -5.673 10.802 0.716 1.00 0.48 O ATOM 936 CB ASP A 61 -5.408 8.203 2.162 1.00 0.44 C ATOM 937 CG ASP A 61 -5.448 9.281 3.232 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.415 9.507 3.893 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.518 9.896 3.425 1.00 0.92 O ATOM 0 H ASP A 61 -3.318 10.025 1.440 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.645 7.732 0.261 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.429 7.912 1.917 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.915 7.321 2.569 1.00 0.44 H new ATOM 944 N SER A 62 -5.839 9.383 -0.983 1.00 0.29 N ATOM 945 CA SER A 62 -6.768 10.180 -1.734 1.00 0.32 C ATOM 946 C SER A 62 -8.133 9.613 -1.464 1.00 0.32 C ATOM 947 O SER A 62 -8.280 8.415 -1.239 1.00 0.41 O ATOM 948 CB SER A 62 -6.471 10.167 -3.231 1.00 0.40 C ATOM 949 OG SER A 62 -5.079 10.284 -3.496 1.00 0.47 O ATOM 0 H SER A 62 -5.501 8.557 -1.477 1.00 0.29 H new ATOM 0 HA SER A 62 -6.694 11.223 -1.426 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.847 9.242 -3.668 1.00 0.40 H new ATOM 0 HB3 SER A 62 -7.003 10.987 -3.714 1.00 0.40 H new ATOM 0 HG SER A 62 -4.624 9.458 -3.228 1.00 0.47 H new ATOM 955 N TYR A 63 -9.117 10.452 -1.474 1.00 0.38 N ATOM 956 CA TYR A 63 -10.415 10.056 -1.027 1.00 0.45 C ATOM 957 C TYR A 63 -11.482 10.722 -1.827 1.00 0.47 C ATOM 958 O TYR A 63 -11.821 11.893 -1.627 1.00 0.54 O ATOM 959 CB TYR A 63 -10.539 10.325 0.466 1.00 0.64 C ATOM 960 CG TYR A 63 -11.944 10.398 1.025 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.831 9.337 0.903 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.375 11.538 1.694 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.106 9.409 1.434 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.644 11.613 2.226 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.506 10.549 2.092 1.00 1.07 C ATOM 966 OH TYR A 63 -15.772 10.623 2.626 1.00 1.39 O ATOM 0 H TYR A 63 -9.048 11.420 -1.788 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.547 8.985 -1.183 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.000 9.542 1.000 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.035 11.266 0.686 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.521 8.441 0.385 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.705 12.378 1.798 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.784 8.575 1.333 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.961 12.504 2.747 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.895 11.494 3.058 1.00 1.39 H new ATOM 976 N ASP A 64 -11.975 9.971 -2.770 1.00 0.47 N ATOM 977 CA ASP A 64 -13.068 10.413 -3.550 1.00 0.57 C ATOM 978 C ASP A 64 -14.278 9.564 -3.282 1.00 0.57 C ATOM 979 O ASP A 64 -14.248 8.334 -3.296 1.00 0.63 O ATOM 980 CB ASP A 64 -12.737 10.432 -5.030 1.00 0.71 C ATOM 981 CG ASP A 64 -12.317 9.093 -5.599 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.171 8.187 -5.688 1.00 2.00 O ATOM 983 OD2 ASP A 64 -11.119 8.935 -5.901 1.00 2.42 O ATOM 0 H ASP A 64 -11.625 9.043 -3.010 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.289 11.440 -3.258 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -13.608 10.788 -5.579 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.936 11.152 -5.201 1.00 0.71 H new ATOM 988 N ARG A 65 -15.335 10.245 -2.986 1.00 0.60 N ATOM 989 CA ARG A 65 -16.627 9.619 -2.848 1.00 0.64 C ATOM 990 C ARG A 65 -17.473 9.954 -4.048 1.00 0.74 C ATOM 991 O ARG A 65 -18.698 9.982 -3.999 1.00 0.88 O ATOM 992 CB ARG A 65 -17.290 10.011 -1.534 1.00 0.74 C ATOM 993 CG ARG A 65 -16.900 9.054 -0.429 1.00 0.86 C ATOM 994 CD ARG A 65 -17.281 7.638 -0.827 1.00 1.00 C ATOM 995 NE ARG A 65 -18.708 7.402 -0.622 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.606 7.286 -1.600 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.233 7.342 -2.876 1.00 2.46 N ATOM 998 NH2 ARG A 65 -20.883 7.118 -1.301 1.00 2.07 N ATOM 0 H ARG A 65 -15.337 11.253 -2.831 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.507 8.536 -2.813 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.998 11.025 -1.263 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -18.373 10.013 -1.654 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.828 9.115 -0.243 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.401 9.330 0.499 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.028 7.470 -1.874 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -16.703 6.924 -0.241 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.041 7.320 0.339 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.250 7.475 -3.115 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -19.930 7.252 -3.615 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.177 7.078 -0.325 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.574 7.029 -2.046 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.769 10.160 -5.135 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.369 10.411 -6.425 1.00 0.93 C ATOM 1014 C ALA A 66 -17.012 9.285 -7.369 1.00 0.83 C ATOM 1015 O ALA A 66 -17.774 8.934 -8.272 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.903 11.742 -6.991 1.00 1.15 C ATOM 0 H ALA A 66 -15.749 10.158 -5.149 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.452 10.459 -6.308 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.369 11.907 -7.962 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.186 12.546 -6.311 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.819 11.729 -7.106 1.00 1.15 H new ATOM 1022 N SER A 67 -15.849 8.712 -7.134 1.00 0.72 N ATOM 1023 CA SER A 67 -15.381 7.596 -7.917 1.00 0.72 C ATOM 1024 C SER A 67 -15.359 6.356 -7.043 1.00 0.58 C ATOM 1025 O SER A 67 -15.140 5.246 -7.534 1.00 0.63 O ATOM 1026 CB SER A 67 -13.994 7.888 -8.512 1.00 0.83 C ATOM 1027 OG SER A 67 -13.701 7.022 -9.597 1.00 1.41 O ATOM 0 H SER A 67 -15.208 9.008 -6.398 1.00 0.72 H new ATOM 0 HA SER A 67 -16.058 7.428 -8.754 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.953 8.923 -8.850 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.234 7.774 -7.739 1.00 0.83 H new ATOM 0 HG SER A 67 -14.042 6.125 -9.401 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.588 6.564 -5.736 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.734 5.464 -4.791 1.00 0.50 C ATOM 1035 C LYS A 68 -14.371 4.837 -4.566 1.00 0.44 C ATOM 1036 O LYS A 68 -14.247 3.648 -4.312 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.745 4.452 -5.360 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.064 3.249 -4.481 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.482 3.300 -3.933 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.563 4.101 -2.647 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.915 4.019 -2.036 1.00 3.31 N ATOM 0 H LYS A 68 -15.675 7.490 -5.317 1.00 0.50 H new ATOM 0 HA LYS A 68 -16.112 5.813 -3.830 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.676 4.979 -5.569 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.364 4.087 -6.314 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.932 2.334 -5.058 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.357 3.208 -3.652 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -19.144 3.742 -4.678 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.838 2.286 -3.752 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.820 3.731 -1.940 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -18.318 5.143 -2.851 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -20.016 4.763 -1.316 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.637 4.150 -2.773 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -20.039 3.087 -1.591 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.340 5.655 -4.648 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.993 5.172 -4.488 1.00 0.31 C ATOM 1057 C VAL A 69 -11.239 5.968 -3.443 1.00 0.29 C ATOM 1058 O VAL A 69 -11.285 7.199 -3.387 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.185 5.232 -5.796 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.951 4.346 -5.709 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -12.043 4.841 -6.986 1.00 0.43 C ATOM 0 H VAL A 69 -13.415 6.657 -4.825 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.094 4.133 -4.175 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.858 6.262 -5.941 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.395 4.404 -6.645 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.318 4.684 -4.889 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.255 3.315 -5.531 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.447 4.892 -7.897 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.412 3.824 -6.850 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.887 5.525 -7.066 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.582 5.229 -2.603 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.530 5.747 -1.776 1.00 0.25 C ATOM 1073 C TYR A 70 -8.242 5.322 -2.419 1.00 0.22 C ATOM 1074 O TYR A 70 -7.929 4.133 -2.500 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.527 5.194 -0.362 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.751 5.469 0.473 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.985 4.944 0.111 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.682 6.270 1.597 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.119 5.207 0.855 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.809 6.540 2.347 1.00 1.24 C ATOM 1081 CZ TYR A 70 -12.986 5.945 2.050 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.147 6.278 2.721 1.00 0.93 O ATOM 0 H TYR A 70 -10.762 4.234 -2.469 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.666 6.826 -1.697 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.389 4.114 -0.419 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.660 5.599 0.160 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.059 4.320 -0.767 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.732 6.691 1.893 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.087 4.855 0.529 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.750 7.230 3.176 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.354 7.224 2.568 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.526 6.281 -2.894 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.241 6.026 -3.494 1.00 0.19 C ATOM 1094 C LEU A 71 -5.161 6.275 -2.483 1.00 0.20 C ATOM 1095 O LEU A 71 -4.793 7.404 -2.183 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.992 6.874 -4.742 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.535 6.877 -5.231 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -4.010 5.458 -5.416 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.401 7.659 -6.524 1.00 0.52 C ATOM 0 H LEU A 71 -7.803 7.263 -2.883 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.230 4.984 -3.813 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.631 6.510 -5.546 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.294 7.900 -4.534 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.933 7.365 -4.465 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.977 5.494 -5.762 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.055 4.926 -4.465 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.622 4.937 -6.153 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.361 7.647 -6.850 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -5.027 7.204 -7.291 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.718 8.689 -6.361 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.638 5.199 -2.004 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.517 5.233 -1.126 1.00 0.21 C ATOM 1113 C PHE A 72 -2.255 5.207 -1.957 1.00 0.23 C ATOM 1114 O PHE A 72 -1.955 4.242 -2.662 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.549 4.068 -0.164 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.717 4.064 0.778 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.901 3.432 0.435 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.633 4.703 2.001 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -6.981 3.443 1.296 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.708 4.715 2.867 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.874 4.033 2.527 1.00 0.30 C ATOM 0 H PHE A 72 -4.979 4.261 -2.212 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.547 6.146 -0.531 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.559 3.141 -0.738 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.629 4.071 0.420 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -5.980 2.925 -0.516 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.716 5.199 2.282 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.912 2.985 0.997 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.645 5.250 3.803 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.690 3.970 3.231 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.553 6.289 -1.870 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.347 6.507 -2.633 1.00 0.26 C ATOM 1133 C GLU A 73 0.848 6.318 -1.748 1.00 0.20 C ATOM 1134 O GLU A 73 0.988 6.966 -0.716 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.230 7.920 -3.179 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.528 8.593 -3.564 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.355 10.096 -3.595 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.257 10.565 -3.989 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -2.281 10.815 -3.183 1.00 1.32 O ATOM 0 H GLU A 73 -1.798 7.067 -1.258 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.389 5.797 -3.459 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.268 8.537 -2.431 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.418 7.897 -4.055 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.853 8.238 -4.542 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.309 8.325 -2.852 1.00 0.59 H new ATOM 1146 N LEU A 74 1.714 5.472 -2.174 1.00 0.21 N ATOM 1147 CA LEU A 74 2.978 5.315 -1.534 1.00 0.21 C ATOM 1148 C LEU A 74 3.953 6.178 -2.237 1.00 0.20 C ATOM 1149 O LEU A 74 4.172 6.057 -3.442 1.00 0.25 O ATOM 1150 CB LEU A 74 3.495 3.896 -1.611 1.00 0.27 C ATOM 1151 CG LEU A 74 2.679 2.865 -0.845 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.614 3.282 0.605 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.286 2.723 -1.439 1.00 0.96 C ATOM 0 H LEU A 74 1.570 4.864 -2.980 1.00 0.21 H new ATOM 0 HA LEU A 74 2.855 5.579 -0.484 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.536 3.598 -2.659 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.518 3.878 -1.235 1.00 0.27 H new ATOM 0 HG LEU A 74 3.158 1.889 -0.920 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.032 2.552 1.168 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.623 3.335 1.014 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.140 4.261 0.681 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.723 1.980 -0.873 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.771 3.682 -1.391 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.364 2.405 -2.478 1.00 0.96 H new ATOM 1165 N HIS A 75 4.529 7.036 -1.495 1.00 0.18 N ATOM 1166 CA HIS A 75 5.642 7.774 -1.993 1.00 0.19 C ATOM 1167 C HIS A 75 6.772 7.342 -1.133 1.00 0.19 C ATOM 1168 O HIS A 75 6.978 7.872 -0.050 1.00 0.19 O ATOM 1169 CB HIS A 75 5.420 9.290 -1.894 1.00 0.23 C ATOM 1170 CG HIS A 75 4.318 9.834 -2.767 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.432 11.020 -3.456 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.072 9.366 -3.045 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.310 11.265 -4.106 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.466 10.277 -3.875 1.00 0.94 N ATOM 0 H HIS A 75 4.257 7.254 -0.536 1.00 0.18 H new ATOM 0 HA HIS A 75 5.817 7.584 -3.052 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.198 9.542 -0.857 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.350 9.795 -2.153 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.638 8.447 -2.680 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.115 12.129 -4.724 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.521 10.202 -4.251 1.00 0.94 H new ATOM 1183 N ILE A 76 7.488 6.354 -1.603 1.00 0.21 N ATOM 1184 CA ILE A 76 8.537 5.788 -0.811 1.00 0.23 C ATOM 1185 C ILE A 76 9.842 5.891 -1.539 1.00 0.25 C ATOM 1186 O ILE A 76 10.166 5.125 -2.420 1.00 0.28 O ATOM 1187 CB ILE A 76 8.233 4.335 -0.488 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.816 4.220 0.063 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.264 3.754 0.477 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.340 2.798 0.202 1.00 0.52 C ATOM 0 H ILE A 76 7.362 5.931 -2.523 1.00 0.21 H new ATOM 0 HA ILE A 76 8.607 6.344 0.124 1.00 0.23 H new ATOM 0 HB ILE A 76 8.296 3.748 -1.404 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.773 4.706 1.038 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.134 4.761 -0.593 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.019 2.713 0.688 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.255 3.809 0.027 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.255 4.325 1.406 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.325 2.791 0.599 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.351 2.314 -0.774 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.999 2.258 0.882 1.00 0.52 H new ATOM 1202 N THR A 77 10.581 6.847 -1.145 1.00 0.24 N ATOM 1203 CA THR A 77 11.832 7.105 -1.696 1.00 0.26 C ATOM 1204 C THR A 77 12.881 6.613 -0.768 1.00 0.36 C ATOM 1205 O THR A 77 12.678 6.476 0.441 1.00 0.58 O ATOM 1206 CB THR A 77 12.033 8.592 -1.969 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.922 9.339 -0.750 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.999 9.070 -2.963 1.00 0.37 C ATOM 0 H THR A 77 10.316 7.492 -0.401 1.00 0.24 H new ATOM 0 HA THR A 77 11.901 6.585 -2.652 1.00 0.26 H new ATOM 0 HB THR A 77 13.029 8.746 -2.384 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.746 9.239 -0.229 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.144 10.133 -3.157 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.105 8.514 -3.894 1.00 0.37 H new ATOM 0 HG23 THR A 77 10.001 8.909 -2.556 1.00 0.37 H new ATOM 1216 N ASP A 78 13.958 6.340 -1.395 1.00 0.30 N ATOM 1217 CA ASP A 78 15.174 5.862 -0.797 1.00 0.45 C ATOM 1218 C ASP A 78 14.919 4.771 0.208 1.00 0.45 C ATOM 1219 O ASP A 78 14.779 4.961 1.418 1.00 0.70 O ATOM 1220 CB ASP A 78 16.032 6.986 -0.272 1.00 0.61 C ATOM 1221 CG ASP A 78 15.404 7.856 0.812 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.605 8.758 0.488 1.00 2.12 O ATOM 1223 OD2 ASP A 78 15.670 7.600 2.011 1.00 1.97 O ATOM 0 H ASP A 78 14.035 6.446 -2.407 1.00 0.30 H new ATOM 0 HA ASP A 78 15.763 5.397 -1.587 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.954 6.559 0.122 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.309 7.627 -1.109 1.00 0.61 H new ATOM 1228 N ALA A 79 14.826 3.623 -0.377 1.00 0.37 N ATOM 1229 CA ALA A 79 14.491 2.396 0.311 1.00 0.34 C ATOM 1230 C ALA A 79 15.634 1.891 1.177 1.00 0.38 C ATOM 1231 O ALA A 79 16.782 1.841 0.741 1.00 0.40 O ATOM 1232 CB ALA A 79 14.111 1.352 -0.721 1.00 0.34 C ATOM 0 H ALA A 79 14.984 3.497 -1.377 1.00 0.37 H new ATOM 0 HA ALA A 79 13.654 2.593 0.981 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.855 0.419 -0.218 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.253 1.702 -1.294 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.952 1.183 -1.394 1.00 0.34 H new ATOM 1238 N GLN A 80 15.300 1.541 2.414 1.00 0.47 N ATOM 1239 CA GLN A 80 16.219 0.844 3.302 1.00 0.55 C ATOM 1240 C GLN A 80 16.734 -0.411 2.610 1.00 0.43 C ATOM 1241 O GLN A 80 15.945 -1.236 2.158 1.00 0.43 O ATOM 1242 CB GLN A 80 15.491 0.483 4.607 1.00 0.74 C ATOM 1243 CG GLN A 80 16.196 -0.553 5.473 1.00 0.78 C ATOM 1244 CD GLN A 80 17.088 0.053 6.537 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.640 0.331 7.648 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.359 0.235 6.223 1.00 1.43 N ATOM 0 H GLN A 80 14.387 1.732 2.827 1.00 0.47 H new ATOM 0 HA GLN A 80 17.067 1.486 3.540 1.00 0.55 H new ATOM 0 HB2 GLN A 80 15.355 1.392 5.193 1.00 0.74 H new ATOM 0 HB3 GLN A 80 14.497 0.111 4.360 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.447 -1.183 5.954 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.795 -1.201 4.834 1.00 0.78 H new ATOM 0 HE21 GLN A 80 18.694 -0.008 5.291 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.005 0.618 6.913 1.00 1.43 H new ATOM 1255 N PRO A 81 18.067 -0.563 2.522 1.00 0.42 N ATOM 1256 CA PRO A 81 18.719 -1.669 1.797 1.00 0.44 C ATOM 1257 C PRO A 81 18.346 -3.052 2.311 1.00 0.54 C ATOM 1258 O PRO A 81 18.708 -4.062 1.712 1.00 1.33 O ATOM 1259 CB PRO A 81 20.213 -1.433 2.032 1.00 0.50 C ATOM 1260 CG PRO A 81 20.284 -0.502 3.195 1.00 0.57 C ATOM 1261 CD PRO A 81 19.058 0.354 3.103 1.00 0.49 C ATOM 0 HA PRO A 81 18.412 -1.664 0.751 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.731 -2.368 2.244 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.686 -0.999 1.151 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.308 -1.052 4.136 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.189 0.104 3.157 1.00 0.57 H new ATOM 0 HD2 PRO A 81 18.746 0.721 4.081 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.220 1.228 2.472 1.00 0.49 H new ATOM 1269 N ALA A 82 17.620 -3.101 3.411 1.00 0.81 N ATOM 1270 CA ALA A 82 17.243 -4.366 3.997 1.00 0.88 C ATOM 1271 C ALA A 82 15.758 -4.635 3.836 1.00 0.77 C ATOM 1272 O ALA A 82 15.280 -5.688 4.233 1.00 0.91 O ATOM 1273 CB ALA A 82 17.636 -4.406 5.465 1.00 1.12 C ATOM 0 H ALA A 82 17.282 -2.280 3.913 1.00 0.81 H new ATOM 0 HA ALA A 82 17.780 -5.152 3.466 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.346 -5.365 5.893 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.715 -4.279 5.556 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.130 -3.602 5.999 1.00 1.12 H new ATOM 1279 N PHE A 83 15.038 -3.715 3.198 1.00 0.64 N ATOM 1280 CA PHE A 83 13.585 -3.805 3.133 1.00 0.68 C ATOM 1281 C PHE A 83 13.153 -5.071 2.418 1.00 0.76 C ATOM 1282 O PHE A 83 12.497 -5.931 3.006 1.00 1.24 O ATOM 1283 CB PHE A 83 13.011 -2.597 2.376 1.00 0.74 C ATOM 1284 CG PHE A 83 12.433 -1.499 3.236 1.00 0.70 C ATOM 1285 CD1 PHE A 83 11.888 -1.778 4.478 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.433 -0.175 2.797 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.363 -0.776 5.268 1.00 0.90 C ATOM 1288 CE2 PHE A 83 11.905 0.831 3.585 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.374 0.531 4.823 1.00 0.88 C ATOM 0 H PHE A 83 15.435 -2.905 2.722 1.00 0.64 H new ATOM 0 HA PHE A 83 13.208 -3.820 4.156 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.801 -2.171 1.757 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.233 -2.952 1.700 1.00 0.74 H new ATOM 0 HD1 PHE A 83 11.874 -2.797 4.834 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.850 0.067 1.831 1.00 0.75 H new ATOM 0 HE1 PHE A 83 10.944 -1.014 6.234 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.908 1.852 3.232 1.00 0.83 H new ATOM 0 HZ PHE A 83 10.968 1.317 5.442 1.00 0.88 H new ATOM 1299 N THR A 84 13.608 -5.207 1.178 1.00 0.55 N ATOM 1300 CA THR A 84 12.920 -6.023 0.205 1.00 0.58 C ATOM 1301 C THR A 84 11.438 -5.806 0.429 1.00 0.80 C ATOM 1302 O THR A 84 10.701 -6.688 0.870 1.00 1.22 O ATOM 1303 CB THR A 84 13.299 -7.499 0.289 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.723 -7.627 0.211 1.00 1.10 O ATOM 1305 CG2 THR A 84 12.647 -8.300 -0.836 1.00 1.17 C ATOM 0 H THR A 84 14.455 -4.758 0.829 1.00 0.55 H new ATOM 0 HA THR A 84 13.212 -5.726 -0.802 1.00 0.58 H new ATOM 0 HB THR A 84 12.941 -7.896 1.239 1.00 0.97 H new ATOM 0 HG1 THR A 84 14.970 -8.574 0.266 1.00 1.10 H new ATOM 0 HG21 THR A 84 12.935 -9.348 -0.751 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.563 -8.214 -0.763 1.00 1.17 H new ATOM 0 HG23 THR A 84 12.977 -7.910 -1.799 1.00 1.17 H new ATOM 1313 N GLY A 85 11.060 -4.569 0.147 1.00 0.87 N ATOM 1314 CA GLY A 85 9.827 -3.995 0.618 1.00 1.43 C ATOM 1315 C GLY A 85 8.609 -4.681 0.120 1.00 0.96 C ATOM 1316 O GLY A 85 7.984 -4.278 -0.849 1.00 1.29 O ATOM 0 H GLY A 85 11.616 -3.933 -0.425 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.822 -4.016 1.708 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.789 -2.948 0.319 1.00 1.43 H new ATOM 1320 N GLY A 86 8.274 -5.698 0.821 1.00 0.52 N ATOM 1321 CA GLY A 86 7.081 -6.420 0.555 1.00 0.52 C ATOM 1322 C GLY A 86 5.954 -5.776 1.285 1.00 0.40 C ATOM 1323 O GLY A 86 5.617 -6.134 2.410 1.00 0.43 O ATOM 0 H GLY A 86 8.822 -6.059 1.602 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.879 -6.432 -0.516 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.190 -7.458 0.870 1.00 0.52 H new ATOM 1327 N TYR A 87 5.443 -4.759 0.665 1.00 0.34 N ATOM 1328 CA TYR A 87 4.352 -3.999 1.221 1.00 0.28 C ATOM 1329 C TYR A 87 3.068 -4.778 0.984 1.00 0.30 C ATOM 1330 O TYR A 87 2.677 -4.996 -0.162 1.00 0.39 O ATOM 1331 CB TYR A 87 4.287 -2.624 0.563 1.00 0.35 C ATOM 1332 CG TYR A 87 5.466 -1.736 0.900 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.734 -2.038 0.431 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.313 -0.598 1.689 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.814 -1.238 0.736 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.393 0.210 1.999 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.622 -0.089 1.514 1.00 0.54 C ATOM 1338 OH TYR A 87 8.726 0.678 1.826 1.00 0.63 O ATOM 0 H TYR A 87 5.767 -4.426 -0.243 1.00 0.34 H new ATOM 0 HA TYR A 87 4.495 -3.847 2.291 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.235 -2.750 -0.518 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.368 -2.126 0.871 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.879 -2.914 -0.183 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.334 -0.342 2.066 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.800 -1.495 0.378 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.256 1.078 2.627 1.00 0.54 H new ATOM 0 HH TYR A 87 8.449 1.445 2.369 1.00 0.63 H new ATOM 1348 N ARG A 88 2.437 -5.245 2.045 1.00 0.33 N ATOM 1349 CA ARG A 88 1.252 -6.053 1.893 1.00 0.36 C ATOM 1350 C ARG A 88 0.029 -5.234 2.217 1.00 0.36 C ATOM 1351 O ARG A 88 -0.236 -4.911 3.377 1.00 0.60 O ATOM 1352 CB ARG A 88 1.300 -7.301 2.768 1.00 0.42 C ATOM 1353 CG ARG A 88 2.023 -8.476 2.124 1.00 1.09 C ATOM 1354 CD ARG A 88 1.842 -9.749 2.936 1.00 1.23 C ATOM 1355 NE ARG A 88 0.442 -9.954 3.308 1.00 1.73 N ATOM 1356 CZ ARG A 88 -0.213 -11.105 3.192 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.381 -12.175 2.677 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -1.480 -11.175 3.585 1.00 3.15 N ATOM 0 H ARG A 88 2.725 -5.079 3.009 1.00 0.33 H new ATOM 0 HA ARG A 88 1.204 -6.384 0.856 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.792 -7.055 3.709 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.281 -7.602 3.011 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.644 -8.630 1.114 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.085 -8.247 2.034 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.195 -10.603 2.358 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.455 -9.698 3.836 1.00 1.23 H new ATOM 0 HE ARG A 88 -0.069 -9.155 3.684 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.351 -12.119 2.365 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.132 -13.052 2.593 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.940 -10.351 3.971 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -1.992 -12.053 3.501 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.697 -4.866 1.185 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.898 -4.093 1.367 1.00 0.27 C ATOM 1374 C CYS A 89 -3.063 -5.034 1.591 1.00 0.25 C ATOM 1375 O CYS A 89 -3.292 -5.962 0.813 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.161 -3.207 0.162 1.00 0.39 C ATOM 1377 SG CYS A 89 -3.035 -1.688 0.568 1.00 1.08 S ATOM 0 H CYS A 89 -0.475 -5.090 0.215 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.776 -3.446 2.236 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.211 -2.956 -0.309 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.742 -3.767 -0.571 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.214 -0.683 0.496 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.773 -4.797 2.665 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.859 -5.660 3.070 1.00 0.28 C ATOM 1385 C GLU A 90 -6.056 -4.813 3.492 1.00 0.26 C ATOM 1386 O GLU A 90 -6.008 -4.120 4.505 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.388 -6.556 4.221 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.448 -7.493 4.773 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.929 -8.305 5.944 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.359 -9.394 5.715 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -5.103 -7.871 7.101 1.00 1.81 O ATOM 0 H GLU A 90 -3.616 -4.002 3.284 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.165 -6.293 2.237 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.541 -7.150 3.877 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.025 -5.923 5.031 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.316 -6.914 5.089 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.784 -8.166 3.984 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.111 -4.838 2.700 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.295 -4.049 3.003 1.00 0.22 C ATOM 1400 C VAL A 91 -9.426 -4.932 3.502 1.00 0.22 C ATOM 1401 O VAL A 91 -9.617 -6.052 3.020 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.776 -3.225 1.787 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.765 -4.056 0.513 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.163 -2.649 2.028 1.00 0.51 C ATOM 0 H VAL A 91 -7.175 -5.392 1.846 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.009 -3.351 3.790 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.076 -2.399 1.660 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.109 -3.446 -0.322 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.751 -4.405 0.315 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.427 -4.914 0.632 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.475 -2.074 1.156 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.870 -3.461 2.199 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.140 -1.998 2.902 1.00 0.51 H new ATOM 1414 N SER A 92 -10.172 -4.417 4.468 1.00 0.22 N ATOM 1415 CA SER A 92 -11.304 -5.125 4.997 1.00 0.25 C ATOM 1416 C SER A 92 -12.472 -4.165 5.046 1.00 0.26 C ATOM 1417 O SER A 92 -12.496 -3.208 5.816 1.00 0.30 O ATOM 1418 CB SER A 92 -10.983 -5.697 6.382 1.00 0.32 C ATOM 1419 OG SER A 92 -12.010 -6.560 6.842 1.00 1.18 O ATOM 0 H SER A 92 -10.004 -3.507 4.896 1.00 0.22 H new ATOM 0 HA SER A 92 -11.557 -5.972 4.359 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.040 -6.242 6.341 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.849 -4.880 7.091 1.00 0.32 H new ATOM 0 HG SER A 92 -11.773 -6.908 7.727 1.00 1.18 H new ATOM 1425 N THR A 93 -13.409 -4.383 4.168 1.00 0.28 N ATOM 1426 CA THR A 93 -14.560 -3.531 4.084 1.00 0.35 C ATOM 1427 C THR A 93 -15.778 -4.385 4.048 1.00 0.39 C ATOM 1428 O THR A 93 -15.729 -5.414 3.416 1.00 0.59 O ATOM 1429 CB THR A 93 -14.535 -2.724 2.806 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.185 -2.448 2.442 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.286 -1.425 2.938 1.00 0.57 C ATOM 0 H THR A 93 -13.397 -5.150 3.495 1.00 0.28 H new ATOM 0 HA THR A 93 -14.560 -2.860 4.943 1.00 0.35 H new ATOM 0 HB THR A 93 -15.026 -3.318 2.035 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.674 -2.202 3.241 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.240 -0.881 1.995 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.327 -1.630 3.188 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.835 -0.823 3.727 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.863 -3.887 4.636 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.162 -4.592 4.759 1.00 0.43 C ATOM 1441 C LYS A 94 -18.007 -6.115 4.904 1.00 0.42 C ATOM 1442 O LYS A 94 -18.163 -6.681 5.984 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.044 -4.274 3.546 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.243 -3.939 2.303 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.812 -4.558 1.050 1.00 0.50 C ATOM 1446 CE LYS A 94 -18.939 -6.070 1.140 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.277 -6.518 1.601 1.00 0.65 N ATOM 0 H LYS A 94 -16.876 -2.957 5.055 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.633 -4.231 5.674 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.687 -5.129 3.338 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.697 -3.435 3.788 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -18.206 -2.856 2.182 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.216 -4.280 2.436 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -19.794 -4.128 0.852 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -18.175 -4.302 0.203 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.735 -6.504 0.161 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.180 -6.452 1.823 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.404 -7.525 1.373 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.353 -6.384 2.630 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -21.013 -5.960 1.124 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.685 -6.745 3.784 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.485 -8.173 3.687 1.00 0.40 C ATOM 1463 C ASP A 95 -16.430 -8.492 2.635 1.00 0.37 C ATOM 1464 O ASP A 95 -15.980 -9.631 2.514 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.782 -8.854 3.312 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.712 -10.364 3.454 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.716 -10.858 4.602 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.672 -11.059 2.421 1.00 1.05 O ATOM 0 H ASP A 95 -17.553 -6.259 2.897 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.147 -8.538 4.657 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.585 -8.471 3.942 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.036 -8.601 2.283 1.00 0.46 H new ATOM 1473 N LYS A 96 -15.996 -7.477 1.893 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.036 -7.708 0.859 1.00 0.29 C ATOM 1475 C LYS A 96 -13.673 -7.643 1.471 1.00 0.27 C ATOM 1476 O LYS A 96 -13.364 -6.767 2.280 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.104 -6.762 -0.361 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.241 -7.553 -1.638 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.920 -6.742 -2.871 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.587 -7.641 -4.051 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.524 -8.788 -4.180 1.00 1.29 N ATOM 0 H LYS A 96 -16.297 -6.508 1.998 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.271 -8.689 0.447 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.950 -6.083 -0.255 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.205 -6.147 -0.402 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -14.579 -8.418 -1.596 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.259 -7.934 -1.715 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.769 -6.107 -3.123 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.078 -6.081 -2.665 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.610 -7.053 -4.969 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.570 -8.018 -3.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.456 -9.186 -5.138 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.276 -9.519 -3.483 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.497 -8.463 -4.009 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.917 -8.630 1.144 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.563 -8.750 1.617 1.00 0.29 C ATOM 1497 C PHE A 97 -10.641 -9.094 0.476 1.00 0.32 C ATOM 1498 O PHE A 97 -10.792 -10.126 -0.180 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.501 -9.797 2.704 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.177 -9.904 3.404 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.820 -8.987 4.382 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.298 -10.932 3.100 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.612 -9.092 5.038 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.086 -11.040 3.752 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.743 -10.122 4.723 1.00 0.74 C ATOM 0 H PHE A 97 -13.214 -9.391 0.534 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.236 -7.797 2.033 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.270 -9.577 3.444 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.745 -10.766 2.269 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.496 -8.182 4.632 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.564 -11.656 2.345 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.344 -8.371 5.797 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.407 -11.842 3.502 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.797 -10.207 5.237 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.695 -8.227 0.267 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.721 -8.374 -0.804 1.00 0.43 C ATOM 1517 C ASP A 98 -7.349 -7.960 -0.297 1.00 0.36 C ATOM 1518 O ASP A 98 -7.239 -7.098 0.583 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.115 -7.534 -2.031 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.309 -8.090 -2.791 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.140 -9.079 -3.542 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.424 -7.547 -2.630 1.00 1.60 O ATOM 0 H ASP A 98 -9.566 -7.388 0.832 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.695 -9.419 -1.113 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.342 -6.518 -1.708 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.262 -7.471 -2.707 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.312 -8.591 -0.825 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.946 -8.302 -0.410 1.00 0.30 C ATOM 1529 C CYS A 99 -4.019 -8.300 -1.613 1.00 0.32 C ATOM 1530 O CYS A 99 -4.253 -9.017 -2.590 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.456 -9.337 0.601 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.555 -9.560 2.014 1.00 1.19 S ATOM 0 H CYS A 99 -6.390 -9.310 -1.545 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.939 -7.317 0.057 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.333 -10.294 0.095 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.472 -9.039 0.963 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.358 -10.557 1.786 1.00 1.19 H new ATOM 1538 N SER A 100 -2.980 -7.492 -1.544 1.00 0.27 N ATOM 1539 CA SER A 100 -2.015 -7.408 -2.632 1.00 0.30 C ATOM 1540 C SER A 100 -0.584 -7.500 -2.111 1.00 0.31 C ATOM 1541 O SER A 100 -0.231 -6.866 -1.113 1.00 0.42 O ATOM 1542 CB SER A 100 -2.228 -6.113 -3.428 1.00 0.38 C ATOM 1543 OG SER A 100 -2.210 -4.977 -2.583 1.00 0.84 O ATOM 0 H SER A 100 -2.779 -6.884 -0.750 1.00 0.27 H new ATOM 0 HA SER A 100 -2.175 -8.256 -3.298 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.449 -6.017 -4.185 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.181 -6.161 -3.955 1.00 0.38 H new ATOM 0 HG SER A 100 -1.420 -4.433 -2.783 1.00 0.84 H new ATOM 1549 N ASN A 101 0.225 -8.312 -2.781 1.00 0.34 N ATOM 1550 CA ASN A 101 1.633 -8.451 -2.426 1.00 0.37 C ATOM 1551 C ASN A 101 2.509 -7.771 -3.477 1.00 0.42 C ATOM 1552 O ASN A 101 2.450 -8.091 -4.660 1.00 0.65 O ATOM 1553 CB ASN A 101 2.016 -9.938 -2.234 1.00 0.60 C ATOM 1554 CG ASN A 101 2.035 -10.796 -3.502 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.777 -11.776 -3.576 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.234 -10.458 -4.504 1.00 1.05 N ATOM 0 H ASN A 101 -0.069 -8.884 -3.573 1.00 0.34 H new ATOM 0 HA ASN A 101 1.804 -7.954 -1.471 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.004 -9.982 -1.775 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.316 -10.384 -1.528 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.224 -11.014 -5.359 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.628 -9.642 -4.420 1.00 1.05 H new ATOM 1563 N PHE A 102 3.273 -6.783 -3.052 1.00 0.31 N ATOM 1564 CA PHE A 102 4.136 -6.045 -3.957 1.00 0.38 C ATOM 1565 C PHE A 102 5.432 -5.720 -3.251 1.00 0.30 C ATOM 1566 O PHE A 102 5.435 -5.049 -2.215 1.00 0.37 O ATOM 1567 CB PHE A 102 3.438 -4.779 -4.480 1.00 0.57 C ATOM 1568 CG PHE A 102 2.549 -4.095 -3.486 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.315 -4.619 -3.157 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.954 -2.923 -2.880 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.502 -3.983 -2.245 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.147 -2.282 -1.973 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.895 -2.858 -1.644 1.00 0.86 C ATOM 0 H PHE A 102 3.314 -6.471 -2.082 1.00 0.31 H new ATOM 0 HA PHE A 102 4.358 -6.661 -4.829 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.199 -4.073 -4.812 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.845 -5.044 -5.355 1.00 0.57 H new ATOM 0 HD1 PHE A 102 0.984 -5.537 -3.619 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.919 -2.504 -3.123 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.467 -4.400 -2.013 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.461 -1.354 -1.518 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.260 -2.387 -0.908 1.00 0.86 H new ATOM 1583 N ASN A 103 6.530 -6.226 -3.782 1.00 0.24 N ATOM 1584 CA ASN A 103 7.779 -6.151 -3.101 1.00 0.25 C ATOM 1585 C ASN A 103 8.698 -5.138 -3.726 1.00 0.28 C ATOM 1586 O ASN A 103 8.632 -4.815 -4.904 1.00 0.49 O ATOM 1587 CB ASN A 103 8.458 -7.508 -3.077 1.00 0.33 C ATOM 1588 CG ASN A 103 9.268 -7.818 -4.309 1.00 1.08 C ATOM 1589 OD1 ASN A 103 10.470 -7.538 -4.369 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.634 -8.399 -5.294 1.00 1.25 N ATOM 0 H ASN A 103 6.567 -6.693 -4.688 1.00 0.24 H new ATOM 0 HA ASN A 103 7.568 -5.833 -2.080 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.110 -7.559 -2.205 1.00 0.33 H new ATOM 0 HB3 ASN A 103 7.698 -8.279 -2.953 1.00 0.33 H new ATOM 0 HD21 ASN A 103 9.133 -8.638 -6.151 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.641 -8.614 -5.205 1.00 1.25 H new ATOM 1597 N LEU A 104 9.564 -4.670 -2.899 1.00 0.23 N ATOM 1598 CA LEU A 104 10.569 -3.705 -3.293 1.00 0.24 C ATOM 1599 C LEU A 104 11.959 -4.294 -3.139 1.00 0.25 C ATOM 1600 O LEU A 104 12.474 -4.434 -2.039 1.00 0.37 O ATOM 1601 CB LEU A 104 10.429 -2.420 -2.471 1.00 0.27 C ATOM 1602 CG LEU A 104 11.709 -1.674 -2.210 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.676 -0.367 -2.961 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.946 -1.458 -0.714 1.00 0.30 C ATOM 0 H LEU A 104 9.608 -4.939 -1.916 1.00 0.23 H new ATOM 0 HA LEU A 104 10.418 -3.456 -4.343 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.739 -1.753 -2.988 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.973 -2.670 -1.513 1.00 0.27 H new ATOM 0 HG LEU A 104 12.547 -2.272 -2.568 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.600 0.181 -2.778 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.576 -0.563 -4.029 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.828 0.227 -2.620 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.880 -0.916 -0.568 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.122 -0.880 -0.295 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.005 -2.424 -0.212 1.00 0.30 H new ATOM 1616 N THR A 105 12.582 -4.621 -4.238 1.00 0.23 N ATOM 1617 CA THR A 105 13.893 -5.199 -4.173 1.00 0.24 C ATOM 1618 C THR A 105 14.906 -4.078 -4.148 1.00 0.21 C ATOM 1619 O THR A 105 15.279 -3.525 -5.184 1.00 0.22 O ATOM 1620 CB THR A 105 14.179 -6.149 -5.340 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.095 -7.083 -5.490 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.475 -6.908 -5.098 1.00 0.32 C ATOM 0 H THR A 105 12.207 -4.498 -5.179 1.00 0.23 H new ATOM 0 HA THR A 105 13.958 -5.801 -3.266 1.00 0.24 H new ATOM 0 HB THR A 105 14.278 -5.560 -6.252 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.433 -6.932 -4.783 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.665 -7.579 -5.935 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.299 -6.201 -5.005 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.390 -7.489 -4.179 1.00 0.32 H new ATOM 1630 N VAL A 106 15.314 -3.733 -2.950 1.00 0.23 N ATOM 1631 CA VAL A 106 16.232 -2.669 -2.731 1.00 0.23 C ATOM 1632 C VAL A 106 17.625 -3.193 -2.925 1.00 0.25 C ATOM 1633 O VAL A 106 18.074 -4.147 -2.291 1.00 0.28 O ATOM 1634 CB VAL A 106 16.075 -2.028 -1.339 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.261 -3.060 -0.249 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.023 -0.841 -1.188 1.00 0.33 C ATOM 0 H VAL A 106 15.006 -4.197 -2.096 1.00 0.23 H new ATOM 0 HA VAL A 106 16.022 -1.878 -3.451 1.00 0.23 H new ATOM 0 HB VAL A 106 15.060 -1.643 -1.238 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.146 -2.585 0.725 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.514 -3.846 -0.360 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.258 -3.494 -0.325 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.899 -0.400 -0.199 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.052 -1.180 -1.308 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.796 -0.095 -1.949 1.00 0.33 H new ATOM 1646 N HIS A 107 18.260 -2.586 -3.855 1.00 0.26 N ATOM 1647 CA HIS A 107 19.586 -2.965 -4.255 1.00 0.31 C ATOM 1648 C HIS A 107 20.590 -2.133 -3.503 1.00 0.34 C ATOM 1649 O HIS A 107 20.848 -0.979 -3.832 1.00 0.36 O ATOM 1650 CB HIS A 107 19.776 -2.800 -5.766 1.00 0.36 C ATOM 1651 CG HIS A 107 18.887 -3.696 -6.580 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.035 -5.063 -6.612 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.821 -3.418 -7.373 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.104 -5.590 -7.385 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.353 -4.618 -7.859 1.00 0.53 N ATOM 0 H HIS A 107 17.878 -1.797 -4.376 1.00 0.26 H new ATOM 0 HA HIS A 107 19.737 -4.018 -4.018 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.581 -1.763 -6.038 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.816 -3.006 -6.019 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.754 -5.589 -6.115 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.416 -2.439 -7.583 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.979 -6.642 -7.594 1.00 1.10 H new ATOM 1664 N GLU A 108 21.102 -2.724 -2.462 1.00 0.45 N ATOM 1665 CA GLU A 108 22.217 -2.157 -1.725 1.00 0.56 C ATOM 1666 C GLU A 108 23.503 -2.356 -2.510 1.00 0.71 C ATOM 1667 O GLU A 108 24.138 -1.396 -2.951 1.00 1.33 O ATOM 1668 CB GLU A 108 22.340 -2.823 -0.360 1.00 0.71 C ATOM 1669 CG GLU A 108 23.465 -2.260 0.480 1.00 0.87 C ATOM 1670 CD GLU A 108 23.811 -3.161 1.638 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.422 -4.222 1.394 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.475 -2.823 2.788 1.00 1.66 O ATOM 0 H GLU A 108 20.765 -3.613 -2.092 1.00 0.45 H new ATOM 0 HA GLU A 108 22.040 -1.091 -1.582 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.400 -2.707 0.179 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.499 -3.893 -0.498 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.347 -2.117 -0.144 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.179 -1.278 0.857 1.00 0.87 H new ATOM 1679 N ALA A 109 23.867 -3.615 -2.693 1.00 1.29 N ATOM 1680 CA ALA A 109 25.073 -3.967 -3.413 1.00 1.54 C ATOM 1681 C ALA A 109 24.777 -4.125 -4.898 1.00 2.12 C ATOM 1682 O ALA A 109 23.869 -4.864 -5.282 1.00 2.78 O ATOM 1683 CB ALA A 109 25.660 -5.253 -2.851 1.00 2.44 C ATOM 0 H ALA A 109 23.336 -4.415 -2.348 1.00 1.29 H new ATOM 0 HA ALA A 109 25.801 -3.165 -3.290 1.00 1.54 H new ATOM 0 HB1 ALA A 109 26.567 -5.509 -3.399 1.00 2.44 H new ATOM 0 HB2 ALA A 109 25.901 -5.113 -1.797 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.934 -6.060 -2.953 1.00 2.44 H new ATOM 1689 N MET A 110 25.527 -3.414 -5.718 1.00 2.77 N ATOM 1690 CA MET A 110 25.378 -3.513 -7.160 1.00 3.92 C ATOM 1691 C MET A 110 26.394 -4.497 -7.722 1.00 4.80 C ATOM 1692 O MET A 110 27.528 -4.077 -8.023 1.00 5.41 O ATOM 1693 CB MET A 110 25.550 -2.141 -7.807 1.00 4.52 C ATOM 1694 CG MET A 110 25.336 -2.152 -9.312 1.00 5.33 C ATOM 1695 SD MET A 110 25.485 -0.512 -10.045 1.00 6.12 S ATOM 1696 CE MET A 110 25.198 -0.899 -11.770 1.00 6.92 C ATOM 1697 OXT MET A 110 26.056 -5.694 -7.838 1.00 5.23 O ATOM 0 H MET A 110 26.247 -2.760 -5.411 1.00 2.77 H new ATOM 0 HA MET A 110 24.376 -3.877 -7.386 1.00 3.92 H new ATOM 0 HB2 MET A 110 24.847 -1.443 -7.353 1.00 4.52 H new ATOM 0 HB3 MET A 110 26.552 -1.770 -7.593 1.00 4.52 H new ATOM 0 HG2 MET A 110 26.063 -2.820 -9.774 1.00 5.33 H new ATOM 0 HG3 MET A 110 24.348 -2.556 -9.532 1.00 5.33 H new ATOM 0 HE1 MET A 110 25.257 0.014 -12.362 1.00 6.92 H new ATOM 0 HE2 MET A 110 25.954 -1.605 -12.115 1.00 6.92 H new ATOM 0 HE3 MET A 110 24.209 -1.342 -11.884 1.00 6.92 H new TER 1707 MET A 110