USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 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 35 ASN : amide:sc= -3.64 K(o=-4.6,f=-4.1!) USER MOD Set 1.2: A 57 MET CE :methyl -143:sc= -1 (180deg=-2.1!) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 123 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0663 (180deg=-0.709) USER MOD Single : A 2 GLN : amide:sc= -0.387 K(o=-0.39,f=-4.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 130:sc= -2.14! USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00641 USER MOD Single : A 32 THR OG1 : rot 112:sc= -4.83! USER MOD Single : A 37 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.058) USER MOD Single : A 45 SER OG : rot -22:sc= 0.768! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0255 K(o=-0.026,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.0262 (180deg=-0.0223) USER MOD Single : A 71 GLN : amide:sc= -1.09! X(o=-1.1!,f=-0.7) USER MOD Single : A 73 HIS : no HD1:sc= -5.55! C(o=-5.5!,f=-5.1!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -128:sc= -8.24! (180deg=-12.5!) USER MOD Single : A 82 THR OG1 : rot 99:sc= 0.323 USER MOD Single : A 84 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.74) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 94 TYR OH : rot 56:sc= 0.621 USER MOD Single : A 95 GLN : amide:sc= 0.0111 X(o=0.011,f=-0.11) USER MOD Single : A 96 GLN : amide:sc= -2.25 K(o=-2.2,f=-4.3!) USER MOD Single : A 101 TYR OH : rot 26:sc= -3.51! USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0.106 (180deg=0.0793) USER MOD Single : A 120 SER OG : rot 90:sc= 0.0446 USER MOD Single : A 121 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.61) USER MOD Single : A 122 TYR OH : rot 110:sc= -2.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.236 -14.788 0.068 1.00 0.00 N ATOM 2 CA MET A 1 10.923 -15.326 -0.388 1.00 0.00 C ATOM 3 C MET A 1 10.327 -14.467 -1.499 1.00 0.00 C ATOM 4 O MET A 1 10.127 -13.265 -1.326 1.00 0.00 O ATOM 5 CB MET A 1 9.967 -15.379 0.807 1.00 0.00 C ATOM 6 CG MET A 1 10.021 -16.691 1.571 1.00 0.00 C ATOM 7 SD MET A 1 8.850 -17.910 0.941 1.00 0.00 S ATOM 8 CE MET A 1 9.908 -18.871 -0.138 1.00 0.00 C ATOM 0 H1 MET A 1 12.616 -15.393 0.824 1.00 0.00 H new ATOM 0 H2 MET A 1 12.901 -14.773 -0.731 1.00 0.00 H new ATOM 0 H3 MET A 1 12.108 -13.822 0.430 1.00 0.00 H new ATOM 0 HA MET A 1 11.074 -16.327 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.204 -14.562 1.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.949 -15.215 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.030 -17.099 1.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.812 -16.503 2.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.471 -19.857 -0.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.006 -18.363 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.892 -18.978 0.318 1.00 0.00 H new ATOM 20 N GLN A 2 10.049 -15.092 -2.638 1.00 0.00 N ATOM 21 CA GLN A 2 9.477 -14.384 -3.778 1.00 0.00 C ATOM 22 C GLN A 2 10.408 -13.268 -4.243 1.00 0.00 C ATOM 23 O GLN A 2 11.277 -12.819 -3.495 1.00 0.00 O ATOM 24 CB GLN A 2 8.108 -13.806 -3.410 1.00 0.00 C ATOM 25 CG GLN A 2 7.001 -14.203 -4.373 1.00 0.00 C ATOM 26 CD GLN A 2 6.709 -15.690 -4.345 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.484 -16.476 -3.800 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.586 -16.085 -4.933 1.00 0.00 N ATOM 0 H GLN A 2 10.210 -16.087 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 2 9.354 -15.095 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.841 -14.137 -2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.178 -12.719 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.093 -13.654 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.283 -13.911 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.972 -15.399 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.337 -17.074 -4.945 1.00 0.00 H new ATOM 37 N ARG A 3 10.218 -12.824 -5.481 1.00 0.00 N ATOM 38 CA ARG A 3 11.039 -11.758 -6.043 1.00 0.00 C ATOM 39 C ARG A 3 10.881 -10.466 -5.246 1.00 0.00 C ATOM 40 O ARG A 3 11.705 -9.558 -5.351 1.00 0.00 O ATOM 41 CB ARG A 3 10.667 -11.516 -7.506 1.00 0.00 C ATOM 42 CG ARG A 3 9.235 -11.043 -7.700 1.00 0.00 C ATOM 43 CD ARG A 3 8.735 -11.342 -9.104 1.00 0.00 C ATOM 44 NE ARG A 3 9.108 -10.295 -10.053 1.00 0.00 N ATOM 45 CZ ARG A 3 8.889 -10.370 -11.364 1.00 0.00 C ATOM 46 NH1 ARG A 3 8.304 -11.442 -11.885 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.257 -9.372 -12.156 1.00 0.00 N ATOM 0 H ARG A 3 9.504 -13.185 -6.113 1.00 0.00 H new ATOM 0 HA ARG A 3 12.081 -12.072 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.346 -10.774 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.815 -12.439 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.588 -11.530 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.176 -9.971 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.142 -12.296 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.650 -11.447 -9.088 1.00 0.00 H new ATOM 0 HE ARG A 3 9.563 -9.458 -9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.020 -12.213 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.138 -11.495 -12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.708 -8.547 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.089 -9.430 -13.160 1.00 0.00 H new ATOM 61 N GLY A 4 9.816 -10.386 -4.452 1.00 0.00 N ATOM 62 CA GLY A 4 9.573 -9.199 -3.657 1.00 0.00 C ATOM 63 C GLY A 4 9.012 -8.061 -4.484 1.00 0.00 C ATOM 64 O GLY A 4 9.763 -7.289 -5.081 1.00 0.00 O ATOM 0 H GLY A 4 9.119 -11.123 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.877 -9.439 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.504 -8.881 -3.189 1.00 0.00 H new ATOM 68 N ILE A 5 7.688 -7.960 -4.528 1.00 0.00 N ATOM 69 CA ILE A 5 7.029 -6.912 -5.295 1.00 0.00 C ATOM 70 C ILE A 5 6.333 -5.909 -4.381 1.00 0.00 C ATOM 71 O ILE A 5 5.347 -6.239 -3.721 1.00 0.00 O ATOM 72 CB ILE A 5 5.988 -7.505 -6.267 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.593 -8.670 -7.055 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.465 -6.431 -7.209 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.154 -10.029 -6.556 1.00 0.00 C ATOM 0 H ILE A 5 7.051 -8.591 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 5 7.806 -6.401 -5.863 1.00 0.00 H new ATOM 0 HB ILE A 5 5.149 -7.886 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.317 -8.571 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.680 -8.607 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.732 -6.868 -7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.995 -5.636 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.293 -6.019 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.621 -10.807 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.454 -10.149 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.070 -10.112 -6.633 1.00 0.00 H new ATOM 87 N VAL A 6 6.845 -4.682 -4.353 1.00 0.00 N ATOM 88 CA VAL A 6 6.262 -3.632 -3.527 1.00 0.00 C ATOM 89 C VAL A 6 5.529 -2.611 -4.388 1.00 0.00 C ATOM 90 O VAL A 6 6.100 -2.054 -5.324 1.00 0.00 O ATOM 91 CB VAL A 6 7.335 -2.905 -2.702 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.387 -2.299 -3.618 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.696 -1.837 -1.826 1.00 0.00 C ATOM 0 H VAL A 6 7.661 -4.392 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 6 5.558 -4.114 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 6 7.827 -3.628 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.140 -1.787 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.862 -3.089 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.914 -1.585 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.469 -1.331 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.180 -1.112 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.981 -2.303 -1.147 1.00 0.00 H new ATOM 103 N TRP A 7 4.262 -2.372 -4.073 1.00 0.00 N ATOM 104 CA TRP A 7 3.457 -1.421 -4.831 1.00 0.00 C ATOM 105 C TRP A 7 3.104 -0.199 -3.980 1.00 0.00 C ATOM 106 O TRP A 7 2.927 -0.308 -2.767 1.00 0.00 O ATOM 107 CB TRP A 7 2.204 -2.123 -5.361 1.00 0.00 C ATOM 108 CG TRP A 7 2.500 -2.992 -6.549 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.732 -3.416 -6.964 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.557 -3.550 -7.473 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.617 -4.164 -8.106 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.293 -4.274 -8.432 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.168 -3.504 -7.589 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.685 -4.941 -9.489 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.437 -4.171 -8.639 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.323 -4.880 -9.577 1.00 0.00 C ATOM 0 H TRP A 7 3.771 -2.822 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 7 4.036 -1.058 -5.680 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.767 -2.731 -4.568 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.460 -1.376 -5.636 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.663 -3.193 -6.463 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.392 -4.572 -8.628 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.425 -2.957 -6.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.268 -5.488 -10.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.512 -4.144 -8.737 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.178 -5.389 -10.387 1.00 0.00 H new ATOM 127 N VAL A 8 3.041 0.973 -4.619 1.00 0.00 N ATOM 128 CA VAL A 8 2.752 2.220 -3.906 1.00 0.00 C ATOM 129 C VAL A 8 1.803 3.135 -4.678 1.00 0.00 C ATOM 130 O VAL A 8 1.955 3.333 -5.879 1.00 0.00 O ATOM 131 CB VAL A 8 4.048 3.021 -3.634 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.953 3.774 -2.318 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.272 2.115 -3.656 1.00 0.00 C ATOM 0 H VAL A 8 3.185 1.084 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 8 2.279 1.916 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 8 4.162 3.752 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.876 4.329 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.113 4.468 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.802 3.066 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.166 2.707 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.171 1.348 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.356 1.641 -4.634 1.00 0.00 H new ATOM 143 N VAL A 9 0.844 3.723 -3.970 1.00 0.00 N ATOM 144 CA VAL A 9 -0.098 4.652 -4.592 1.00 0.00 C ATOM 145 C VAL A 9 -0.116 5.981 -3.837 1.00 0.00 C ATOM 146 O VAL A 9 -0.689 6.071 -2.756 1.00 0.00 O ATOM 147 CB VAL A 9 -1.542 4.090 -4.640 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.157 4.322 -6.009 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.569 2.617 -4.297 1.00 0.00 C ATOM 0 H VAL A 9 0.697 3.575 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 9 0.246 4.800 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.132 4.622 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.171 3.921 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.186 5.391 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.556 3.820 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.595 2.252 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.958 2.066 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.173 2.470 -3.292 1.00 0.00 H new ATOM 159 N ASP A 10 0.507 7.011 -4.423 1.00 0.00 N ATOM 160 CA ASP A 10 0.557 8.349 -3.812 1.00 0.00 C ATOM 161 C ASP A 10 1.584 9.238 -4.510 1.00 0.00 C ATOM 162 O ASP A 10 2.775 8.942 -4.513 1.00 0.00 O ATOM 163 CB ASP A 10 0.886 8.272 -2.315 1.00 0.00 C ATOM 164 CG ASP A 10 0.823 9.632 -1.635 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.838 10.655 -2.351 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.757 9.675 -0.385 1.00 0.00 O ATOM 0 H ASP A 10 0.985 6.945 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.434 8.787 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.187 7.592 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.883 7.851 -2.186 1.00 0.00 H new ATOM 171 N ASP A 11 1.110 10.336 -5.091 1.00 0.00 N ATOM 172 CA ASP A 11 1.971 11.294 -5.787 1.00 0.00 C ATOM 173 C ASP A 11 2.484 10.745 -7.120 1.00 0.00 C ATOM 174 O ASP A 11 2.870 11.512 -8.002 1.00 0.00 O ATOM 175 CB ASP A 11 3.149 11.698 -4.899 1.00 0.00 C ATOM 176 CG ASP A 11 3.305 13.203 -4.795 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.114 13.892 -5.820 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.621 13.693 -3.691 1.00 0.00 O ATOM 0 H ASP A 11 0.122 10.589 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 11 1.364 12.173 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.009 11.280 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.067 11.267 -5.299 1.00 0.00 H new ATOM 183 N ASP A 12 2.486 9.423 -7.269 1.00 0.00 N ATOM 184 CA ASP A 12 2.950 8.796 -8.499 1.00 0.00 C ATOM 185 C ASP A 12 4.474 8.939 -8.645 1.00 0.00 C ATOM 186 O ASP A 12 5.212 8.712 -7.684 1.00 0.00 O ATOM 187 CB ASP A 12 2.210 9.399 -9.700 1.00 0.00 C ATOM 188 CG ASP A 12 2.092 8.428 -10.857 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.967 7.546 -10.983 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.122 8.545 -11.635 1.00 0.00 O ATOM 0 H ASP A 12 2.172 8.768 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 12 2.729 7.729 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.213 9.711 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.735 10.294 -10.034 1.00 0.00 H new ATOM 195 N SER A 13 4.942 9.299 -9.847 1.00 0.00 N ATOM 196 CA SER A 13 6.373 9.456 -10.129 1.00 0.00 C ATOM 197 C SER A 13 7.159 9.973 -8.928 1.00 0.00 C ATOM 198 O SER A 13 8.234 9.465 -8.610 1.00 0.00 O ATOM 199 CB SER A 13 6.568 10.402 -11.311 1.00 0.00 C ATOM 200 OG SER A 13 6.165 9.791 -12.524 1.00 0.00 O ATOM 0 H SER A 13 4.341 9.489 -10.649 1.00 0.00 H new ATOM 0 HA SER A 13 6.760 8.465 -10.368 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.992 11.313 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.616 10.694 -11.378 1.00 0.00 H new ATOM 0 HG SER A 13 6.298 10.417 -13.266 1.00 0.00 H new ATOM 206 N SER A 14 6.621 10.985 -8.275 1.00 0.00 N ATOM 207 CA SER A 14 7.273 11.582 -7.110 1.00 0.00 C ATOM 208 C SER A 14 7.608 10.519 -6.068 1.00 0.00 C ATOM 209 O SER A 14 8.777 10.218 -5.825 1.00 0.00 O ATOM 210 CB SER A 14 6.377 12.655 -6.489 1.00 0.00 C ATOM 211 OG SER A 14 6.607 13.921 -7.084 1.00 0.00 O ATOM 0 H SER A 14 5.732 11.417 -8.527 1.00 0.00 H new ATOM 0 HA SER A 14 8.202 12.044 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.331 12.376 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.565 12.714 -5.417 1.00 0.00 H new ATOM 0 HG SER A 14 6.021 14.588 -6.670 1.00 0.00 H new ATOM 217 N ILE A 15 6.574 9.945 -5.466 1.00 0.00 N ATOM 218 CA ILE A 15 6.758 8.908 -4.463 1.00 0.00 C ATOM 219 C ILE A 15 7.368 7.657 -5.094 1.00 0.00 C ATOM 220 O ILE A 15 7.948 6.819 -4.403 1.00 0.00 O ATOM 221 CB ILE A 15 5.422 8.557 -3.769 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.902 9.769 -2.991 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.586 7.359 -2.842 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.713 10.098 -1.755 1.00 0.00 C ATOM 0 H ILE A 15 5.600 10.181 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 15 7.442 9.293 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 15 4.695 8.290 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.895 10.637 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.869 9.584 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.631 7.133 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.917 6.495 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.327 7.590 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.283 10.968 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.699 9.247 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.742 10.316 -2.042 1.00 0.00 H new ATOM 236 N ARG A 16 7.231 7.542 -6.412 1.00 0.00 N ATOM 237 CA ARG A 16 7.764 6.402 -7.149 1.00 0.00 C ATOM 238 C ARG A 16 9.286 6.462 -7.243 1.00 0.00 C ATOM 239 O ARG A 16 9.982 5.571 -6.764 1.00 0.00 O ATOM 240 CB ARG A 16 7.173 6.370 -8.559 1.00 0.00 C ATOM 241 CG ARG A 16 7.464 5.082 -9.319 1.00 0.00 C ATOM 242 CD ARG A 16 6.991 5.164 -10.761 1.00 0.00 C ATOM 243 NE ARG A 16 6.374 3.916 -11.205 1.00 0.00 N ATOM 244 CZ ARG A 16 7.063 2.837 -11.572 1.00 0.00 C ATOM 245 NH1 ARG A 16 8.390 2.848 -11.552 1.00 0.00 N ATOM 246 NH2 ARG A 16 6.422 1.742 -11.960 1.00 0.00 N ATOM 0 H ARG A 16 6.752 8.229 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 16 7.487 5.497 -6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.094 6.506 -8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.567 7.213 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.535 4.880 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.972 4.246 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.274 5.979 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.836 5.401 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 16 5.356 3.868 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.889 3.686 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.911 2.018 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.402 1.727 -11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.949 0.915 -12.241 1.00 0.00 H new ATOM 260 N TRP A 17 9.791 7.517 -7.874 1.00 0.00 N ATOM 261 CA TRP A 17 11.230 7.696 -8.053 1.00 0.00 C ATOM 262 C TRP A 17 12.002 7.483 -6.756 1.00 0.00 C ATOM 263 O TRP A 17 13.053 6.837 -6.747 1.00 0.00 O ATOM 264 CB TRP A 17 11.526 9.095 -8.594 1.00 0.00 C ATOM 265 CG TRP A 17 12.976 9.312 -8.905 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.655 8.864 -10.001 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.927 10.026 -8.106 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.969 9.257 -9.935 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.162 9.972 -8.781 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.854 10.707 -6.887 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.313 10.572 -8.277 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.998 11.302 -6.389 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.213 11.231 -7.082 1.00 0.00 C ATOM 0 H TRP A 17 9.223 8.265 -8.272 1.00 0.00 H new ATOM 0 HA TRP A 17 11.559 6.942 -8.768 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.938 9.260 -9.497 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.203 9.836 -7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.222 8.285 -10.803 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.685 9.051 -10.631 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.922 10.767 -6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.251 10.519 -8.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.954 11.831 -5.449 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.089 11.706 -6.665 1.00 0.00 H new ATOM 284 N VAL A 18 11.498 8.043 -5.668 1.00 0.00 N ATOM 285 CA VAL A 18 12.174 7.922 -4.384 1.00 0.00 C ATOM 286 C VAL A 18 12.213 6.481 -3.898 1.00 0.00 C ATOM 287 O VAL A 18 13.285 5.909 -3.700 1.00 0.00 O ATOM 288 CB VAL A 18 11.524 8.788 -3.277 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.547 9.120 -2.203 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.919 10.069 -3.833 1.00 0.00 C ATOM 0 H VAL A 18 10.632 8.581 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 18 13.187 8.282 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 18 10.713 8.204 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.078 9.729 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.922 8.197 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.375 9.672 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.475 10.644 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.698 10.661 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.150 9.821 -4.564 1.00 0.00 H new ATOM 300 N LEU A 19 11.039 5.919 -3.670 1.00 0.00 N ATOM 301 CA LEU A 19 10.925 4.557 -3.157 1.00 0.00 C ATOM 302 C LEU A 19 11.304 3.501 -4.187 1.00 0.00 C ATOM 303 O LEU A 19 11.591 2.363 -3.824 1.00 0.00 O ATOM 304 CB LEU A 19 9.508 4.287 -2.639 1.00 0.00 C ATOM 305 CG LEU A 19 9.435 3.326 -1.451 1.00 0.00 C ATOM 306 CD1 LEU A 19 10.090 3.941 -0.225 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.991 2.948 -1.156 1.00 0.00 C ATOM 0 H LEU A 19 10.145 6.384 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 19 11.637 4.481 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.054 5.235 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.909 3.882 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 19 9.980 2.418 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.028 3.243 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.136 4.156 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.576 4.866 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.960 2.264 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.421 3.846 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.556 2.463 -2.030 1.00 0.00 H new ATOM 319 N GLU A 20 11.297 3.854 -5.465 1.00 0.00 N ATOM 320 CA GLU A 20 11.634 2.879 -6.496 1.00 0.00 C ATOM 321 C GLU A 20 13.100 2.477 -6.432 1.00 0.00 C ATOM 322 O GLU A 20 13.421 1.298 -6.299 1.00 0.00 O ATOM 323 CB GLU A 20 11.273 3.379 -7.901 1.00 0.00 C ATOM 324 CG GLU A 20 12.179 4.458 -8.465 1.00 0.00 C ATOM 325 CD GLU A 20 11.805 4.844 -9.884 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.600 5.017 -10.154 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.721 4.970 -10.724 1.00 0.00 O ATOM 0 H GLU A 20 11.067 4.786 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 20 11.031 1.994 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.282 2.529 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.252 3.761 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.130 5.340 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.211 4.108 -8.447 1.00 0.00 H new ATOM 334 N ARG A 21 13.976 3.458 -6.544 1.00 0.00 N ATOM 335 CA ARG A 21 15.414 3.205 -6.520 1.00 0.00 C ATOM 336 C ARG A 21 15.878 2.669 -5.167 1.00 0.00 C ATOM 337 O ARG A 21 16.485 1.601 -5.090 1.00 0.00 O ATOM 338 CB ARG A 21 16.182 4.480 -6.866 1.00 0.00 C ATOM 339 CG ARG A 21 15.967 4.952 -8.295 1.00 0.00 C ATOM 340 CD ARG A 21 17.140 4.590 -9.192 1.00 0.00 C ATOM 341 NE ARG A 21 16.706 3.937 -10.427 1.00 0.00 N ATOM 342 CZ ARG A 21 16.659 2.617 -10.599 1.00 0.00 C ATOM 343 NH1 ARG A 21 17.015 1.794 -9.620 1.00 0.00 N ATOM 344 NH2 ARG A 21 16.252 2.116 -11.758 1.00 0.00 N ATOM 0 H ARG A 21 13.722 4.440 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 21 15.622 2.440 -7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.881 5.273 -6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.246 4.308 -6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.055 4.506 -8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.823 6.032 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.701 5.492 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.819 3.930 -8.652 1.00 0.00 H new ATOM 0 HE ARG A 21 16.421 4.530 -11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.328 2.171 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.975 0.785 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.976 2.741 -12.515 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.215 1.106 -11.892 1.00 0.00 H new ATOM 358 N ALA A 22 15.605 3.414 -4.102 1.00 0.00 N ATOM 359 CA ALA A 22 16.015 3.001 -2.763 1.00 0.00 C ATOM 360 C ALA A 22 15.546 1.592 -2.449 1.00 0.00 C ATOM 361 O ALA A 22 16.347 0.714 -2.127 1.00 0.00 O ATOM 362 CB ALA A 22 15.498 3.979 -1.721 1.00 0.00 C ATOM 0 H ALA A 22 15.105 4.302 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 22 17.105 3.003 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.814 3.655 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.900 4.972 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.409 4.013 -1.762 1.00 0.00 H new ATOM 368 N LEU A 23 14.252 1.381 -2.555 1.00 0.00 N ATOM 369 CA LEU A 23 13.669 0.073 -2.296 1.00 0.00 C ATOM 370 C LEU A 23 14.172 -0.945 -3.320 1.00 0.00 C ATOM 371 O LEU A 23 14.135 -2.162 -3.088 1.00 0.00 O ATOM 372 CB LEU A 23 12.145 0.163 -2.311 1.00 0.00 C ATOM 373 CG LEU A 23 11.414 -1.075 -1.798 1.00 0.00 C ATOM 374 CD1 LEU A 23 12.013 -1.553 -0.481 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.933 -0.785 -1.635 1.00 0.00 C ATOM 0 H LEU A 23 13.577 2.099 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 23 13.979 -0.264 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.842 1.019 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.819 0.360 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 23 11.534 -1.871 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.475 -2.436 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.064 -1.803 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.929 -0.763 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.426 -1.677 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.798 0.028 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.511 -0.497 -2.598 1.00 0.00 H new ATOM 387 N ALA A 24 14.673 -0.444 -4.449 1.00 0.00 N ATOM 388 CA ALA A 24 15.215 -1.308 -5.478 1.00 0.00 C ATOM 389 C ALA A 24 16.515 -1.914 -4.978 1.00 0.00 C ATOM 390 O ALA A 24 16.806 -3.084 -5.223 1.00 0.00 O ATOM 391 CB ALA A 24 15.442 -0.541 -6.773 1.00 0.00 C ATOM 0 H ALA A 24 14.711 0.552 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 24 14.500 -2.103 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.849 -1.214 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.495 -0.132 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.145 0.273 -6.595 1.00 0.00 H new ATOM 397 N GLY A 25 17.286 -1.108 -4.246 1.00 0.00 N ATOM 398 CA GLY A 25 18.534 -1.588 -3.693 1.00 0.00 C ATOM 399 C GLY A 25 18.304 -2.752 -2.751 1.00 0.00 C ATOM 400 O GLY A 25 19.189 -3.583 -2.546 1.00 0.00 O ATOM 0 H GLY A 25 17.065 -0.136 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.198 -1.896 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.034 -0.779 -3.160 1.00 0.00 H new ATOM 404 N ALA A 26 17.099 -2.813 -2.185 1.00 0.00 N ATOM 405 CA ALA A 26 16.736 -3.881 -1.271 1.00 0.00 C ATOM 406 C ALA A 26 16.419 -5.164 -2.036 1.00 0.00 C ATOM 407 O ALA A 26 16.401 -6.252 -1.460 1.00 0.00 O ATOM 408 CB ALA A 26 15.554 -3.462 -0.413 1.00 0.00 C ATOM 0 H ALA A 26 16.359 -2.130 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 26 17.586 -4.079 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.293 -4.273 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.819 -2.576 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.701 -3.237 -1.053 1.00 0.00 H new ATOM 414 N GLY A 27 16.199 -5.033 -3.344 1.00 0.00 N ATOM 415 CA GLY A 27 15.921 -6.193 -4.169 1.00 0.00 C ATOM 416 C GLY A 27 14.446 -6.428 -4.460 1.00 0.00 C ATOM 417 O GLY A 27 14.052 -7.567 -4.711 1.00 0.00 O ATOM 0 H GLY A 27 16.209 -4.144 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.451 -6.084 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.326 -7.077 -3.677 1.00 0.00 H new ATOM 421 N LEU A 28 13.618 -5.380 -4.440 1.00 0.00 N ATOM 422 CA LEU A 28 12.196 -5.563 -4.722 1.00 0.00 C ATOM 423 C LEU A 28 11.728 -4.707 -5.896 1.00 0.00 C ATOM 424 O LEU A 28 12.422 -3.789 -6.330 1.00 0.00 O ATOM 425 CB LEU A 28 11.345 -5.264 -3.489 1.00 0.00 C ATOM 426 CG LEU A 28 12.049 -5.461 -2.150 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.711 -4.181 -1.718 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.070 -5.958 -1.096 1.00 0.00 C ATOM 0 H LEU A 28 13.899 -4.421 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 28 12.066 -6.610 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.996 -4.233 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.461 -5.902 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 28 12.822 -6.221 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.210 -4.334 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.445 -3.880 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.958 -3.399 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.592 -6.092 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.270 -5.228 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.645 -6.910 -1.414 1.00 0.00 H new ATOM 440 N THR A 29 10.533 -5.024 -6.398 1.00 0.00 N ATOM 441 CA THR A 29 9.945 -4.293 -7.520 1.00 0.00 C ATOM 442 C THR A 29 9.012 -3.204 -7.011 1.00 0.00 C ATOM 443 O THR A 29 7.991 -3.490 -6.388 1.00 0.00 O ATOM 444 CB THR A 29 9.178 -5.242 -8.442 1.00 0.00 C ATOM 445 OG1 THR A 29 10.057 -6.166 -9.055 1.00 0.00 O ATOM 446 CG2 THR A 29 8.420 -4.526 -9.544 1.00 0.00 C ATOM 0 H THR A 29 9.953 -5.784 -6.043 1.00 0.00 H new ATOM 0 HA THR A 29 10.755 -3.833 -8.087 1.00 0.00 H new ATOM 0 HB THR A 29 8.459 -5.749 -7.799 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.547 -6.765 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.898 -5.257 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.696 -3.842 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.121 -3.964 -10.162 1.00 0.00 H new ATOM 454 N CYS A 30 9.380 -1.959 -7.269 1.00 0.00 N ATOM 455 CA CYS A 30 8.594 -0.818 -6.821 1.00 0.00 C ATOM 456 C CYS A 30 7.820 -0.172 -7.967 1.00 0.00 C ATOM 457 O CYS A 30 8.402 0.493 -8.825 1.00 0.00 O ATOM 458 CB CYS A 30 9.513 0.221 -6.186 1.00 0.00 C ATOM 459 SG CYS A 30 11.064 -0.458 -5.543 1.00 0.00 S ATOM 0 H CYS A 30 10.222 -1.711 -7.789 1.00 0.00 H new ATOM 0 HA CYS A 30 7.872 -1.183 -6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.744 0.987 -6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.980 0.714 -5.373 1.00 0.00 H new ATOM 0 HG CYS A 30 12.063 0.243 -5.991 1.00 0.00 H new ATOM 465 N THR A 31 6.503 -0.340 -7.956 1.00 0.00 N ATOM 466 CA THR A 31 5.648 0.259 -8.972 1.00 0.00 C ATOM 467 C THR A 31 4.631 1.157 -8.269 1.00 0.00 C ATOM 468 O THR A 31 4.110 0.793 -7.214 1.00 0.00 O ATOM 469 CB THR A 31 4.951 -0.821 -9.813 1.00 0.00 C ATOM 470 OG1 THR A 31 4.525 -0.293 -11.056 1.00 0.00 O ATOM 471 CG2 THR A 31 3.739 -1.407 -9.144 1.00 0.00 C ATOM 0 H THR A 31 6.004 -0.887 -7.254 1.00 0.00 H new ATOM 0 HA THR A 31 6.249 0.853 -9.660 1.00 0.00 H new ATOM 0 HB THR A 31 5.697 -1.605 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.085 -0.997 -11.577 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.295 -2.163 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.031 -1.865 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.011 -0.618 -8.955 1.00 0.00 H new ATOM 479 N THR A 32 4.377 2.339 -8.816 1.00 0.00 N ATOM 480 CA THR A 32 3.455 3.271 -8.178 1.00 0.00 C ATOM 481 C THR A 32 2.227 3.581 -9.026 1.00 0.00 C ATOM 482 O THR A 32 2.203 3.354 -10.236 1.00 0.00 O ATOM 483 CB THR A 32 4.183 4.556 -7.824 1.00 0.00 C ATOM 484 OG1 THR A 32 4.747 5.139 -8.985 1.00 0.00 O ATOM 485 CG2 THR A 32 5.294 4.338 -6.819 1.00 0.00 C ATOM 0 H THR A 32 4.789 2.672 -9.687 1.00 0.00 H new ATOM 0 HA THR A 32 3.091 2.783 -7.274 1.00 0.00 H new ATOM 0 HB THR A 32 3.438 5.216 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.281 5.976 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.780 5.289 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.878 3.926 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.025 3.642 -7.230 1.00 0.00 H new ATOM 493 N PHE A 33 1.200 4.084 -8.346 1.00 0.00 N ATOM 494 CA PHE A 33 -0.073 4.424 -8.966 1.00 0.00 C ATOM 495 C PHE A 33 -0.587 5.784 -8.464 1.00 0.00 C ATOM 496 O PHE A 33 0.031 6.404 -7.598 1.00 0.00 O ATOM 497 CB PHE A 33 -1.081 3.312 -8.710 1.00 0.00 C ATOM 498 CG PHE A 33 -0.586 1.954 -9.109 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.424 1.350 -8.385 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.129 1.277 -10.191 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.885 0.099 -8.725 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.669 0.022 -10.539 1.00 0.00 C ATOM 503 CZ PHE A 33 0.340 -0.569 -9.803 1.00 0.00 C ATOM 0 H PHE A 33 1.230 4.267 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 33 0.070 4.517 -10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.336 3.300 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.998 3.531 -9.256 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.857 1.867 -7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.919 1.736 -10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.674 -0.361 -8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.097 -0.496 -11.384 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.701 -1.551 -10.070 1.00 0.00 H new ATOM 513 N GLU A 34 -1.693 6.261 -9.044 1.00 0.00 N ATOM 514 CA GLU A 34 -2.257 7.568 -8.691 1.00 0.00 C ATOM 515 C GLU A 34 -2.677 7.682 -7.216 1.00 0.00 C ATOM 516 O GLU A 34 -2.124 8.505 -6.487 1.00 0.00 O ATOM 517 CB GLU A 34 -3.458 7.866 -9.594 1.00 0.00 C ATOM 518 CG GLU A 34 -4.495 6.752 -9.639 1.00 0.00 C ATOM 519 CD GLU A 34 -5.721 7.042 -8.795 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.052 8.232 -8.613 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.349 6.073 -8.313 1.00 0.00 O ATOM 0 H GLU A 34 -2.217 5.760 -9.762 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.465 8.301 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.939 8.782 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.100 8.055 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.803 6.593 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.037 5.824 -9.296 1.00 0.00 H new ATOM 528 N ASN A 35 -3.649 6.887 -6.770 1.00 0.00 N ATOM 529 CA ASN A 35 -4.097 6.965 -5.378 1.00 0.00 C ATOM 530 C ASN A 35 -4.700 5.654 -4.875 1.00 0.00 C ATOM 531 O ASN A 35 -4.726 5.405 -3.670 1.00 0.00 O ATOM 532 CB ASN A 35 -5.102 8.103 -5.200 1.00 0.00 C ATOM 533 CG ASN A 35 -4.444 9.466 -5.285 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.660 9.845 -4.418 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.759 10.209 -6.338 1.00 0.00 N ATOM 0 H ASN A 35 -4.134 6.193 -7.339 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.209 7.163 -4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.875 8.026 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.598 8.000 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.345 11.134 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.415 9.855 -7.034 1.00 0.00 H new ATOM 542 N GLY A 36 -5.172 4.812 -5.790 1.00 0.00 N ATOM 543 CA GLY A 36 -5.749 3.546 -5.379 1.00 0.00 C ATOM 544 C GLY A 36 -6.406 2.776 -6.508 1.00 0.00 C ATOM 545 O GLY A 36 -5.973 1.673 -6.840 1.00 0.00 O ATOM 0 H GLY A 36 -5.166 4.981 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.967 2.928 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.488 3.731 -4.600 1.00 0.00 H new ATOM 549 N ASN A 37 -7.460 3.346 -7.091 1.00 0.00 N ATOM 550 CA ASN A 37 -8.179 2.682 -8.176 1.00 0.00 C ATOM 551 C ASN A 37 -7.216 2.162 -9.231 1.00 0.00 C ATOM 552 O ASN A 37 -7.484 1.158 -9.891 1.00 0.00 O ATOM 553 CB ASN A 37 -9.209 3.622 -8.801 1.00 0.00 C ATOM 554 CG ASN A 37 -10.634 3.196 -8.486 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.518 3.264 -9.340 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.862 2.754 -7.251 1.00 0.00 N ATOM 0 H ASN A 37 -7.832 4.260 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.709 1.828 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.044 4.635 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.069 3.647 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.799 2.455 -6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.100 2.714 -6.575 1.00 0.00 H new ATOM 563 N GLU A 38 -6.085 2.838 -9.374 1.00 0.00 N ATOM 564 CA GLU A 38 -5.080 2.422 -10.334 1.00 0.00 C ATOM 565 C GLU A 38 -4.539 1.044 -9.964 1.00 0.00 C ATOM 566 O GLU A 38 -4.630 0.104 -10.753 1.00 0.00 O ATOM 567 CB GLU A 38 -3.943 3.435 -10.388 1.00 0.00 C ATOM 568 CG GLU A 38 -3.792 4.126 -11.733 1.00 0.00 C ATOM 569 CD GLU A 38 -2.341 4.387 -12.089 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.567 3.410 -12.180 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.978 5.567 -12.276 1.00 0.00 O ATOM 0 H GLU A 38 -5.844 3.672 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.543 2.367 -11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.107 4.191 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.008 2.930 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.248 3.510 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.335 5.071 -11.716 1.00 0.00 H new ATOM 578 N VAL A 39 -3.988 0.918 -8.750 1.00 0.00 N ATOM 579 CA VAL A 39 -3.455 -0.365 -8.294 1.00 0.00 C ATOM 580 C VAL A 39 -4.458 -1.481 -8.525 1.00 0.00 C ATOM 581 O VAL A 39 -4.116 -2.551 -9.022 1.00 0.00 O ATOM 582 CB VAL A 39 -3.124 -0.338 -6.796 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.379 -1.592 -6.381 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.319 0.886 -6.455 1.00 0.00 C ATOM 0 H VAL A 39 -3.902 1.679 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.547 -0.544 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.063 -0.302 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.157 -1.547 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.996 -2.467 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.448 -1.665 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.094 0.888 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.388 0.879 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.891 1.779 -6.707 1.00 0.00 H new ATOM 594 N LEU A 40 -5.702 -1.215 -8.151 1.00 0.00 N ATOM 595 CA LEU A 40 -6.777 -2.191 -8.303 1.00 0.00 C ATOM 596 C LEU A 40 -6.801 -2.762 -9.717 1.00 0.00 C ATOM 597 O LEU A 40 -6.929 -3.971 -9.907 1.00 0.00 O ATOM 598 CB LEU A 40 -8.132 -1.557 -7.975 1.00 0.00 C ATOM 599 CG LEU A 40 -8.119 -0.490 -6.876 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.539 -0.130 -6.464 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.316 -0.959 -5.667 1.00 0.00 C ATOM 0 H LEU A 40 -5.994 -0.329 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.588 -3.005 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.533 -1.110 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.820 -2.349 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.637 0.401 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.510 0.629 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.081 0.258 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.045 -1.019 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.323 -0.183 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.762 -1.869 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.288 -1.161 -5.969 1.00 0.00 H new ATOM 613 N ALA A 41 -6.672 -1.883 -10.703 1.00 0.00 N ATOM 614 CA ALA A 41 -6.673 -2.299 -12.099 1.00 0.00 C ATOM 615 C ALA A 41 -5.535 -3.268 -12.378 1.00 0.00 C ATOM 616 O ALA A 41 -5.727 -4.323 -12.981 1.00 0.00 O ATOM 617 CB ALA A 41 -6.569 -1.087 -13.011 1.00 0.00 C ATOM 0 H ALA A 41 -6.565 -0.878 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.614 -2.812 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.571 -1.413 -14.051 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.418 -0.426 -12.836 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.643 -0.551 -12.800 1.00 0.00 H new ATOM 623 N ALA A 42 -4.352 -2.891 -11.928 1.00 0.00 N ATOM 624 CA ALA A 42 -3.159 -3.705 -12.112 1.00 0.00 C ATOM 625 C ALA A 42 -3.197 -4.947 -11.229 1.00 0.00 C ATOM 626 O ALA A 42 -2.666 -5.997 -11.592 1.00 0.00 O ATOM 627 CB ALA A 42 -1.913 -2.884 -11.817 1.00 0.00 C ATOM 0 H ALA A 42 -4.189 -2.018 -11.427 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.130 -4.033 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.027 -3.503 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.871 -2.031 -12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.947 -2.529 -10.787 1.00 0.00 H new ATOM 633 N LEU A 43 -3.829 -4.821 -10.067 1.00 0.00 N ATOM 634 CA LEU A 43 -3.936 -5.931 -9.130 1.00 0.00 C ATOM 635 C LEU A 43 -4.783 -7.054 -9.713 1.00 0.00 C ATOM 636 O LEU A 43 -4.617 -8.222 -9.363 1.00 0.00 O ATOM 637 CB LEU A 43 -4.551 -5.463 -7.813 1.00 0.00 C ATOM 638 CG LEU A 43 -3.567 -4.922 -6.784 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.290 -4.045 -5.777 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.864 -6.072 -6.081 1.00 0.00 C ATOM 0 H LEU A 43 -4.275 -3.960 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.930 -6.307 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.285 -4.687 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.092 -6.298 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.819 -4.316 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.576 -3.664 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.760 -3.209 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.054 -4.631 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.162 -5.675 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.602 -6.696 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.323 -6.670 -6.814 1.00 0.00 H new ATOM 652 N ALA A 44 -5.697 -6.685 -10.599 1.00 0.00 N ATOM 653 CA ALA A 44 -6.585 -7.650 -11.236 1.00 0.00 C ATOM 654 C ALA A 44 -5.803 -8.741 -11.958 1.00 0.00 C ATOM 655 O ALA A 44 -6.336 -9.815 -12.237 1.00 0.00 O ATOM 656 CB ALA A 44 -7.519 -6.939 -12.203 1.00 0.00 C ATOM 0 H ALA A 44 -5.844 -5.720 -10.895 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.175 -8.130 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.179 -7.668 -12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.116 -6.207 -11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.932 -6.432 -12.969 1.00 0.00 H new ATOM 662 N SER A 45 -4.541 -8.462 -12.264 1.00 0.00 N ATOM 663 CA SER A 45 -3.696 -9.419 -12.955 1.00 0.00 C ATOM 664 C SER A 45 -2.386 -9.664 -12.207 1.00 0.00 C ATOM 665 O SER A 45 -1.535 -10.422 -12.673 1.00 0.00 O ATOM 666 CB SER A 45 -3.402 -8.933 -14.375 1.00 0.00 C ATOM 667 OG SER A 45 -2.372 -9.700 -14.974 1.00 0.00 O ATOM 0 H SER A 45 -4.083 -7.578 -12.042 1.00 0.00 H new ATOM 0 HA SER A 45 -4.237 -10.364 -12.998 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.307 -8.998 -14.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.110 -7.883 -14.350 1.00 0.00 H new ATOM 0 HG SER A 45 -1.838 -10.132 -14.275 1.00 0.00 H new ATOM 673 N LYS A 46 -2.220 -9.025 -11.050 1.00 0.00 N ATOM 674 CA LYS A 46 -1.008 -9.189 -10.263 1.00 0.00 C ATOM 675 C LYS A 46 -1.275 -8.924 -8.783 1.00 0.00 C ATOM 676 O LYS A 46 -2.261 -8.283 -8.424 1.00 0.00 O ATOM 677 CB LYS A 46 0.089 -8.258 -10.779 1.00 0.00 C ATOM 678 CG LYS A 46 1.448 -8.930 -10.896 1.00 0.00 C ATOM 679 CD LYS A 46 2.468 -8.291 -9.967 1.00 0.00 C ATOM 680 CE LYS A 46 3.811 -8.107 -10.657 1.00 0.00 C ATOM 681 NZ LYS A 46 4.692 -9.292 -10.477 1.00 0.00 N ATOM 0 H LYS A 46 -2.908 -8.393 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.673 -10.221 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.202 -7.872 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.172 -7.401 -10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.353 -9.990 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.800 -8.864 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.097 -7.324 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.595 -8.913 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.652 -7.931 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.306 -7.222 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.598 -9.128 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.865 -9.445 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.231 -10.132 -10.881 1.00 0.00 H new ATOM 695 N THR A 47 -0.392 -9.431 -7.929 1.00 0.00 N ATOM 696 CA THR A 47 -0.535 -9.258 -6.494 1.00 0.00 C ATOM 697 C THR A 47 0.813 -8.954 -5.835 1.00 0.00 C ATOM 698 O THR A 47 1.691 -9.817 -5.793 1.00 0.00 O ATOM 699 CB THR A 47 -1.144 -10.524 -5.881 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.427 -10.787 -6.428 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.297 -10.462 -4.377 1.00 0.00 C ATOM 0 H THR A 47 0.430 -9.965 -8.210 1.00 0.00 H new ATOM 0 HA THR A 47 -1.196 -8.410 -6.315 1.00 0.00 H new ATOM 0 HB THR A 47 -0.437 -11.317 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.795 -11.600 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.734 -11.393 -4.017 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.319 -10.319 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.948 -9.629 -4.112 1.00 0.00 H new ATOM 709 N PRO A 48 1.001 -7.733 -5.296 1.00 0.00 N ATOM 710 CA PRO A 48 2.252 -7.361 -4.633 1.00 0.00 C ATOM 711 C PRO A 48 2.349 -7.958 -3.234 1.00 0.00 C ATOM 712 O PRO A 48 1.332 -8.211 -2.587 1.00 0.00 O ATOM 713 CB PRO A 48 2.164 -5.839 -4.558 1.00 0.00 C ATOM 714 CG PRO A 48 0.706 -5.561 -4.457 1.00 0.00 C ATOM 715 CD PRO A 48 0.021 -6.623 -5.278 1.00 0.00 C ATOM 0 HA PRO A 48 3.131 -7.725 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.704 -5.451 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.598 -5.371 -5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.374 -5.595 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.472 -4.565 -4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.924 -6.929 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.203 -6.270 -6.284 1.00 0.00 H new ATOM 723 N ASP A 49 3.571 -8.183 -2.769 1.00 0.00 N ATOM 724 CA ASP A 49 3.782 -8.750 -1.442 1.00 0.00 C ATOM 725 C ASP A 49 3.513 -7.706 -0.360 1.00 0.00 C ATOM 726 O ASP A 49 3.107 -8.041 0.752 1.00 0.00 O ATOM 727 CB ASP A 49 5.208 -9.288 -1.314 1.00 0.00 C ATOM 728 CG ASP A 49 5.431 -10.540 -2.141 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.986 -11.625 -1.709 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.049 -10.435 -3.222 1.00 0.00 O ATOM 0 H ASP A 49 4.427 -7.983 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 49 3.082 -9.575 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.913 -8.518 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.419 -9.505 -0.267 1.00 0.00 H new ATOM 735 N VAL A 50 3.736 -6.441 -0.698 1.00 0.00 N ATOM 736 CA VAL A 50 3.515 -5.343 0.234 1.00 0.00 C ATOM 737 C VAL A 50 3.010 -4.108 -0.506 1.00 0.00 C ATOM 738 O VAL A 50 3.797 -3.330 -1.047 1.00 0.00 O ATOM 739 CB VAL A 50 4.805 -4.993 0.999 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.921 -4.647 0.025 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.559 -3.853 1.979 1.00 0.00 C ATOM 0 H VAL A 50 4.072 -6.150 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 50 2.762 -5.667 0.952 1.00 0.00 H new ATOM 0 HB VAL A 50 5.114 -5.865 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.826 -4.402 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.114 -5.500 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.624 -3.790 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.483 -3.622 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.223 -2.971 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.794 -4.149 2.697 1.00 0.00 H new ATOM 751 N LEU A 51 1.692 -3.942 -0.544 1.00 0.00 N ATOM 752 CA LEU A 51 1.085 -2.811 -1.238 1.00 0.00 C ATOM 753 C LEU A 51 0.974 -1.576 -0.346 1.00 0.00 C ATOM 754 O LEU A 51 0.839 -1.674 0.872 1.00 0.00 O ATOM 755 CB LEU A 51 -0.301 -3.194 -1.764 1.00 0.00 C ATOM 756 CG LEU A 51 -1.074 -2.066 -2.450 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.361 -1.619 -3.716 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.492 -2.517 -2.763 1.00 0.00 C ATOM 0 H LEU A 51 1.024 -4.575 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 51 1.740 -2.559 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.189 -4.017 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.897 -3.567 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.122 -1.215 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.927 -0.816 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.637 -1.260 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.281 -2.460 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.032 -1.706 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.461 -3.382 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.001 -2.787 -1.837 1.00 0.00 H new ATOM 770 N LEU A 52 1.021 -0.416 -0.988 1.00 0.00 N ATOM 771 CA LEU A 52 0.916 0.873 -0.315 1.00 0.00 C ATOM 772 C LEU A 52 -0.102 1.731 -1.055 1.00 0.00 C ATOM 773 O LEU A 52 0.027 1.914 -2.260 1.00 0.00 O ATOM 774 CB LEU A 52 2.272 1.575 -0.325 1.00 0.00 C ATOM 775 CG LEU A 52 3.209 1.239 0.826 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.661 1.327 0.373 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.961 2.182 1.984 1.00 0.00 C ATOM 0 H LEU A 52 1.134 -0.342 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 52 0.600 0.723 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.777 1.333 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.101 2.651 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 52 3.013 0.218 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.318 1.084 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.832 0.622 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.873 2.338 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.635 1.936 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.140 3.208 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.929 2.082 2.320 1.00 0.00 H new ATOM 789 N SER A 53 -1.122 2.235 -0.356 1.00 0.00 N ATOM 790 CA SER A 53 -2.152 3.039 -1.018 1.00 0.00 C ATOM 791 C SER A 53 -2.403 4.386 -0.349 1.00 0.00 C ATOM 792 O SER A 53 -2.260 4.543 0.863 1.00 0.00 O ATOM 793 CB SER A 53 -3.461 2.252 -1.087 1.00 0.00 C ATOM 794 OG SER A 53 -3.468 1.370 -2.197 1.00 0.00 O ATOM 0 H SER A 53 -1.256 2.105 0.647 1.00 0.00 H new ATOM 0 HA SER A 53 -1.776 3.252 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.597 1.684 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.301 2.943 -1.162 1.00 0.00 H new ATOM 0 HG SER A 53 -4.315 0.877 -2.218 1.00 0.00 H new ATOM 800 N ASP A 54 -2.813 5.351 -1.168 1.00 0.00 N ATOM 801 CA ASP A 54 -3.129 6.689 -0.690 1.00 0.00 C ATOM 802 C ASP A 54 -4.548 6.707 -0.143 1.00 0.00 C ATOM 803 O ASP A 54 -5.291 5.738 -0.302 1.00 0.00 O ATOM 804 CB ASP A 54 -2.994 7.711 -1.823 1.00 0.00 C ATOM 805 CG ASP A 54 -3.024 9.142 -1.323 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.427 9.413 -0.262 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.648 9.992 -1.992 1.00 0.00 O ATOM 0 H ASP A 54 -2.934 5.227 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.428 6.957 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.060 7.536 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.802 7.563 -2.539 1.00 0.00 H new ATOM 812 N ILE A 55 -4.926 7.799 0.504 1.00 0.00 N ATOM 813 CA ILE A 55 -6.259 7.907 1.065 1.00 0.00 C ATOM 814 C ILE A 55 -6.769 9.345 1.024 1.00 0.00 C ATOM 815 O ILE A 55 -6.698 10.068 2.017 1.00 0.00 O ATOM 816 CB ILE A 55 -6.280 7.376 2.512 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.629 7.643 3.199 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.138 7.989 3.300 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.659 7.228 4.656 1.00 0.00 C ATOM 0 H ILE A 55 -4.332 8.615 0.652 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.924 7.298 0.454 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.150 6.294 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.860 8.706 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.413 7.110 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.157 7.611 4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.190 7.724 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.246 9.074 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.641 7.446 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.460 6.159 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.898 7.780 5.207 1.00 0.00 H new ATOM 831 N ARG A 56 -7.289 9.749 -0.135 1.00 0.00 N ATOM 832 CA ARG A 56 -7.818 11.099 -0.317 1.00 0.00 C ATOM 833 C ARG A 56 -8.213 11.338 -1.775 1.00 0.00 C ATOM 834 O ARG A 56 -7.667 12.221 -2.436 1.00 0.00 O ATOM 835 CB ARG A 56 -6.777 12.139 0.111 1.00 0.00 C ATOM 836 CG ARG A 56 -7.354 13.530 0.309 1.00 0.00 C ATOM 837 CD ARG A 56 -6.797 14.519 -0.704 1.00 0.00 C ATOM 838 NE ARG A 56 -7.857 15.165 -1.470 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.683 16.078 -0.967 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.572 16.455 0.300 1.00 0.00 N ATOM 841 NH2 ARG A 56 -9.623 16.614 -1.732 1.00 0.00 N ATOM 0 H ARG A 56 -7.355 9.158 -0.964 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.706 11.200 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.310 11.813 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.990 12.185 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.440 13.490 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.130 13.877 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.209 15.277 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.121 14.001 -1.384 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.971 14.901 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.851 16.044 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.208 17.156 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.713 16.326 -2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.257 17.314 -1.346 1.00 0.00 H new ATOM 855 N MET A 57 -9.162 10.548 -2.274 1.00 0.00 N ATOM 856 CA MET A 57 -9.612 10.686 -3.658 1.00 0.00 C ATOM 857 C MET A 57 -10.951 9.981 -3.902 1.00 0.00 C ATOM 858 O MET A 57 -11.943 10.620 -4.251 1.00 0.00 O ATOM 859 CB MET A 57 -8.550 10.132 -4.613 1.00 0.00 C ATOM 860 CG MET A 57 -8.068 11.142 -5.641 1.00 0.00 C ATOM 861 SD MET A 57 -9.064 11.136 -7.144 1.00 0.00 S ATOM 862 CE MET A 57 -7.826 10.721 -8.370 1.00 0.00 C ATOM 0 H MET A 57 -9.631 9.812 -1.746 1.00 0.00 H new ATOM 0 HA MET A 57 -9.760 11.749 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.697 9.783 -4.031 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.958 9.264 -5.132 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.088 12.139 -5.201 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.031 10.927 -5.897 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.025 11.272 -9.289 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.838 10.988 -7.994 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.860 9.651 -8.574 1.00 0.00 H new ATOM 872 N PRO A 58 -10.989 8.646 -3.735 1.00 0.00 N ATOM 873 CA PRO A 58 -12.203 7.838 -3.954 1.00 0.00 C ATOM 874 C PRO A 58 -13.377 8.266 -3.082 1.00 0.00 C ATOM 875 O PRO A 58 -13.328 9.295 -2.409 1.00 0.00 O ATOM 876 CB PRO A 58 -11.760 6.418 -3.575 1.00 0.00 C ATOM 877 CG PRO A 58 -10.548 6.620 -2.737 1.00 0.00 C ATOM 878 CD PRO A 58 -9.855 7.802 -3.333 1.00 0.00 C ATOM 0 HA PRO A 58 -12.564 7.940 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.540 5.892 -3.025 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.537 5.822 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.815 6.803 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.907 5.738 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.208 8.303 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.231 7.524 -4.182 1.00 0.00 H new ATOM 886 N GLY A 59 -14.435 7.455 -3.100 1.00 0.00 N ATOM 887 CA GLY A 59 -15.616 7.748 -2.309 1.00 0.00 C ATOM 888 C GLY A 59 -15.303 7.874 -0.833 1.00 0.00 C ATOM 889 O GLY A 59 -15.326 8.974 -0.281 1.00 0.00 O ATOM 0 H GLY A 59 -14.493 6.598 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.067 8.675 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.354 6.959 -2.456 1.00 0.00 H new ATOM 893 N MET A 60 -14.999 6.750 -0.192 1.00 0.00 N ATOM 894 CA MET A 60 -14.667 6.749 1.229 1.00 0.00 C ATOM 895 C MET A 60 -13.279 7.344 1.450 1.00 0.00 C ATOM 896 O MET A 60 -12.383 6.684 1.984 1.00 0.00 O ATOM 897 CB MET A 60 -14.738 5.326 1.795 1.00 0.00 C ATOM 898 CG MET A 60 -15.869 5.125 2.792 1.00 0.00 C ATOM 899 SD MET A 60 -17.058 3.881 2.254 1.00 0.00 S ATOM 900 CE MET A 60 -18.581 4.574 2.890 1.00 0.00 C ATOM 0 H MET A 60 -14.976 5.830 -0.632 1.00 0.00 H new ATOM 0 HA MET A 60 -15.395 7.365 1.756 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.860 4.622 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.791 5.089 2.279 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.451 4.830 3.755 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.385 6.073 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.413 3.917 2.637 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.512 4.672 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.747 5.556 2.447 1.00 0.00 H new ATOM 910 N ASP A 61 -13.115 8.597 1.023 1.00 0.00 N ATOM 911 CA ASP A 61 -11.847 9.304 1.152 1.00 0.00 C ATOM 912 C ASP A 61 -10.737 8.538 0.448 1.00 0.00 C ATOM 913 O ASP A 61 -10.294 8.912 -0.636 1.00 0.00 O ATOM 914 CB ASP A 61 -11.498 9.513 2.628 1.00 0.00 C ATOM 915 CG ASP A 61 -11.571 10.972 3.037 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.203 11.763 2.305 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.996 11.323 4.088 1.00 0.00 O ATOM 0 H ASP A 61 -13.854 9.144 0.581 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.947 10.281 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.181 8.930 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.494 9.135 2.818 1.00 0.00 H new ATOM 922 N GLY A 62 -10.304 7.456 1.072 1.00 0.00 N ATOM 923 CA GLY A 62 -9.258 6.639 0.501 1.00 0.00 C ATOM 924 C GLY A 62 -9.379 5.185 0.898 1.00 0.00 C ATOM 925 O GLY A 62 -9.024 4.294 0.125 1.00 0.00 O ATOM 0 H GLY A 62 -10.661 7.128 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.290 6.720 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.288 7.020 0.820 1.00 0.00 H new ATOM 929 N LEU A 63 -9.883 4.940 2.103 1.00 0.00 N ATOM 930 CA LEU A 63 -10.045 3.580 2.585 1.00 0.00 C ATOM 931 C LEU A 63 -10.958 2.790 1.650 1.00 0.00 C ATOM 932 O LEU A 63 -10.935 1.560 1.636 1.00 0.00 O ATOM 933 CB LEU A 63 -10.588 3.556 4.021 1.00 0.00 C ATOM 934 CG LEU A 63 -9.837 4.445 5.022 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.462 5.830 5.092 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.801 3.798 6.401 1.00 0.00 C ATOM 0 H LEU A 63 -10.184 5.663 2.757 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.063 3.108 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.634 3.863 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.564 2.528 4.384 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.811 4.554 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.913 6.441 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.421 6.298 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.501 5.745 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.264 4.446 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.819 3.649 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.294 2.835 6.338 1.00 0.00 H new ATOM 948 N ALA A 64 -11.759 3.509 0.857 1.00 0.00 N ATOM 949 CA ALA A 64 -12.668 2.873 -0.090 1.00 0.00 C ATOM 950 C ALA A 64 -11.915 1.982 -1.075 1.00 0.00 C ATOM 951 O ALA A 64 -12.445 0.975 -1.541 1.00 0.00 O ATOM 952 CB ALA A 64 -13.461 3.928 -0.845 1.00 0.00 C ATOM 0 H ALA A 64 -11.793 4.528 0.855 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.353 2.243 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.136 3.441 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.040 4.522 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.776 4.578 -1.390 1.00 0.00 H new ATOM 958 N LEU A 65 -10.680 2.362 -1.390 1.00 0.00 N ATOM 959 CA LEU A 65 -9.861 1.593 -2.325 1.00 0.00 C ATOM 960 C LEU A 65 -9.544 0.221 -1.754 1.00 0.00 C ATOM 961 O LEU A 65 -9.555 -0.780 -2.469 1.00 0.00 O ATOM 962 CB LEU A 65 -8.560 2.334 -2.635 1.00 0.00 C ATOM 963 CG LEU A 65 -8.729 3.819 -2.937 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.448 4.582 -2.632 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.151 4.020 -4.386 1.00 0.00 C ATOM 0 H LEU A 65 -10.225 3.194 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.428 1.471 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.884 2.224 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.080 1.856 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.515 4.215 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.592 5.639 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.197 4.465 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.636 4.190 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.268 5.085 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.389 3.608 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.099 3.512 -4.563 1.00 0.00 H new ATOM 977 N LEU A 66 -9.272 0.187 -0.457 1.00 0.00 N ATOM 978 CA LEU A 66 -8.959 -1.060 0.226 1.00 0.00 C ATOM 979 C LEU A 66 -10.130 -2.022 0.101 1.00 0.00 C ATOM 980 O LEU A 66 -9.951 -3.206 -0.175 1.00 0.00 O ATOM 981 CB LEU A 66 -8.636 -0.797 1.699 1.00 0.00 C ATOM 982 CG LEU A 66 -7.360 0.015 1.946 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.582 1.478 1.602 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.906 -0.126 3.390 1.00 0.00 C ATOM 0 H LEU A 66 -9.262 1.011 0.144 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.082 -1.509 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.477 -0.271 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.545 -1.754 2.212 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.576 -0.377 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.665 2.038 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.859 1.567 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.382 1.881 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.999 0.458 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.689 0.238 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.704 -1.175 3.607 1.00 0.00 H new ATOM 996 N LYS A 67 -11.336 -1.497 0.288 1.00 0.00 N ATOM 997 CA LYS A 67 -12.544 -2.305 0.173 1.00 0.00 C ATOM 998 C LYS A 67 -12.577 -3.017 -1.179 1.00 0.00 C ATOM 999 O LYS A 67 -12.913 -4.197 -1.264 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.784 -1.429 0.333 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.791 -0.615 1.616 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.016 0.280 1.701 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.257 0.756 3.123 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.279 -0.071 3.821 1.00 0.00 N ATOM 0 H LYS A 67 -11.503 -0.518 0.519 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.538 -3.054 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.852 -0.751 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.671 -2.062 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.769 -1.287 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.889 -0.005 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.886 1.141 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.891 -0.263 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.321 0.722 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.581 1.796 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.414 0.287 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.180 -0.019 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.958 -1.060 3.859 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.209 -2.292 -2.234 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.181 -2.862 -3.579 1.00 0.00 C ATOM 1020 C GLN A 68 -11.192 -4.022 -3.635 1.00 0.00 C ATOM 1021 O GLN A 68 -11.390 -4.994 -4.361 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.776 -1.809 -4.619 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.450 -0.455 -4.448 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.902 -0.464 -4.884 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.289 -1.216 -5.778 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.712 0.378 -4.252 1.00 0.00 N ATOM 0 H GLN A 68 -11.927 -1.313 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.185 -3.217 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.696 -1.670 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.007 -2.192 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.391 -0.154 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.906 0.292 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.346 0.983 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.700 0.420 -4.502 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.116 -3.890 -2.866 1.00 0.00 N ATOM 1036 CA ILE A 69 -9.066 -4.899 -2.816 1.00 0.00 C ATOM 1037 C ILE A 69 -9.593 -6.253 -2.357 1.00 0.00 C ATOM 1038 O ILE A 69 -9.209 -7.296 -2.886 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.924 -4.452 -1.879 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.332 -3.126 -2.357 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.844 -5.514 -1.787 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.725 -3.202 -3.740 1.00 0.00 C ATOM 0 H ILE A 69 -9.948 -3.085 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.686 -5.008 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.341 -4.310 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.113 -2.366 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.568 -2.802 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.053 -5.171 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.273 -6.437 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.429 -5.698 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.324 -2.227 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.922 -3.939 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.491 -3.495 -4.458 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.455 -6.228 -1.358 1.00 0.00 N ATOM 1055 CA LYS A 70 -11.023 -7.448 -0.801 1.00 0.00 C ATOM 1056 C LYS A 70 -12.079 -8.060 -1.711 1.00 0.00 C ATOM 1057 O LYS A 70 -12.303 -9.270 -1.690 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.622 -7.164 0.572 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.820 -6.229 0.538 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.805 -6.544 1.652 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.678 -5.342 1.978 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.433 -4.863 0.786 1.00 0.00 N ATOM 0 H LYS A 70 -10.781 -5.371 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.213 -8.171 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.922 -8.107 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.853 -6.730 1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.480 -5.198 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.321 -6.313 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.435 -7.383 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.261 -6.853 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.379 -5.607 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.055 -4.534 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.115 -4.133 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.770 -4.460 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.942 -5.660 0.354 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.732 -7.222 -2.498 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.774 -7.689 -3.404 1.00 0.00 C ATOM 1078 C GLN A 71 -13.208 -8.631 -4.458 1.00 0.00 C ATOM 1079 O GLN A 71 -13.808 -9.656 -4.781 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.473 -6.502 -4.070 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.782 -6.119 -3.399 1.00 0.00 C ATOM 1082 CD GLN A 71 -16.100 -4.643 -3.532 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -17.109 -4.264 -4.127 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.238 -3.799 -2.977 1.00 0.00 N ATOM 0 H GLN A 71 -12.562 -6.217 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.505 -8.244 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.803 -5.642 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.666 -6.743 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.593 -6.702 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.734 -6.382 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.414 -4.156 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.400 -2.794 -3.035 1.00 0.00 H new ATOM 1093 N ARG A 72 -12.054 -8.272 -4.992 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.400 -9.080 -6.018 1.00 0.00 C ATOM 1095 C ARG A 72 -10.230 -9.864 -5.441 1.00 0.00 C ATOM 1096 O ARG A 72 -10.107 -11.072 -5.651 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.915 -8.188 -7.165 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.826 -8.212 -8.383 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.485 -7.094 -9.354 1.00 0.00 C ATOM 1100 NE ARG A 72 -12.528 -6.905 -10.361 1.00 0.00 N ATOM 1101 CZ ARG A 72 -13.260 -5.797 -10.485 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.075 -4.766 -9.669 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -14.185 -5.721 -11.432 1.00 0.00 N ATOM 0 H ARG A 72 -11.546 -7.426 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.132 -9.792 -6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.830 -7.162 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.916 -8.505 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.736 -9.174 -8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.864 -8.115 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.342 -6.165 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.540 -7.319 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.708 -7.670 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.366 -4.816 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.641 -3.924 -9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.335 -6.508 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.747 -4.875 -11.530 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.372 -9.163 -4.726 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.193 -9.770 -4.115 1.00 0.00 C ATOM 1119 C HIS A 73 -8.524 -10.305 -2.721 1.00 0.00 C ATOM 1120 O HIS A 73 -9.196 -9.636 -1.937 1.00 0.00 O ATOM 1121 CB HIS A 73 -7.059 -8.739 -4.066 1.00 0.00 C ATOM 1122 CG HIS A 73 -7.085 -7.823 -5.251 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -7.139 -8.286 -6.550 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -7.118 -6.474 -5.333 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -7.205 -7.260 -7.378 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -7.195 -6.149 -6.665 1.00 0.00 N ATOM 0 H HIS A 73 -9.466 -8.163 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.867 -10.618 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.142 -8.152 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.100 -9.256 -4.028 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.089 -5.781 -4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.258 -7.319 -8.455 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.238 -5.202 -7.042 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.068 -11.531 -2.396 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.333 -12.160 -1.098 1.00 0.00 C ATOM 1137 C PRO A 74 -7.983 -11.252 0.078 1.00 0.00 C ATOM 1138 O PRO A 74 -8.866 -10.676 0.713 1.00 0.00 O ATOM 1139 CB PRO A 74 -7.439 -13.413 -1.103 1.00 0.00 C ATOM 1140 CG PRO A 74 -6.528 -13.253 -2.276 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.270 -12.404 -3.264 1.00 0.00 C ATOM 0 HA PRO A 74 -9.392 -12.384 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.873 -13.494 -0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.037 -14.320 -1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.592 -12.780 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.274 -14.221 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.592 -11.834 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.897 -13.003 -3.924 1.00 0.00 H new ATOM 1149 N MET A 75 -6.693 -11.132 0.364 1.00 0.00 N ATOM 1150 CA MET A 75 -6.229 -10.297 1.464 1.00 0.00 C ATOM 1151 C MET A 75 -4.950 -9.560 1.072 1.00 0.00 C ATOM 1152 O MET A 75 -3.941 -9.625 1.774 1.00 0.00 O ATOM 1153 CB MET A 75 -5.981 -11.154 2.709 1.00 0.00 C ATOM 1154 CG MET A 75 -7.255 -11.581 3.421 1.00 0.00 C ATOM 1155 SD MET A 75 -6.938 -12.687 4.809 1.00 0.00 S ATOM 1156 CE MET A 75 -7.665 -14.209 4.207 1.00 0.00 C ATOM 0 H MET A 75 -5.949 -11.603 -0.151 1.00 0.00 H new ATOM 0 HA MET A 75 -7.000 -9.561 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.421 -12.044 2.421 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.356 -10.595 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.780 -10.696 3.780 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.915 -12.077 2.710 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.547 -14.990 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.725 -14.052 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.165 -14.512 3.287 1.00 0.00 H new ATOM 1166 N LEU A 76 -5.002 -8.867 -0.060 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.851 -8.121 -0.557 1.00 0.00 C ATOM 1168 C LEU A 76 -3.355 -7.114 0.480 1.00 0.00 C ATOM 1169 O LEU A 76 -4.038 -6.134 0.776 1.00 0.00 O ATOM 1170 CB LEU A 76 -4.221 -7.390 -1.851 1.00 0.00 C ATOM 1171 CG LEU A 76 -3.048 -6.941 -2.715 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.440 -5.681 -2.134 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.015 -8.045 -2.830 1.00 0.00 C ATOM 0 H LEU A 76 -5.830 -8.806 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.048 -8.831 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.858 -8.044 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.816 -6.513 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.408 -6.722 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.602 -5.362 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.192 -4.893 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.088 -5.880 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.186 -7.704 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.644 -8.301 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.471 -8.924 -3.285 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.156 -7.338 1.052 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.589 -6.437 2.059 1.00 0.00 C ATOM 1187 C PRO A 77 -1.341 -5.039 1.505 1.00 0.00 C ATOM 1188 O PRO A 77 -0.517 -4.848 0.612 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.261 -7.101 2.444 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.380 -8.513 1.982 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.268 -8.477 0.772 1.00 0.00 C ATOM 0 HA PRO A 77 -2.266 -6.299 2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.582 -6.601 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.094 -7.052 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.598 -8.927 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.807 -9.144 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.697 -8.329 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.827 -9.405 0.653 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.064 -4.070 2.050 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.951 -2.679 1.639 1.00 0.00 C ATOM 1201 C VAL A 78 -1.571 -1.795 2.820 1.00 0.00 C ATOM 1202 O VAL A 78 -1.872 -2.114 3.971 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.275 -2.154 1.049 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.030 -0.909 0.209 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.975 -3.231 0.231 1.00 0.00 C ATOM 0 H VAL A 78 -2.747 -4.228 2.791 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.174 -2.639 0.876 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.931 -1.885 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.976 -0.553 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.588 -0.131 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.350 -1.150 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.906 -2.833 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.328 -3.544 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.193 -4.088 0.868 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.921 -0.680 2.526 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.510 0.259 3.559 1.00 0.00 C ATOM 1217 C ILE A 79 -0.930 1.675 3.184 1.00 0.00 C ATOM 1218 O ILE A 79 -0.503 2.208 2.160 1.00 0.00 O ATOM 1219 CB ILE A 79 1.009 0.220 3.784 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.482 -1.219 4.011 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.394 1.104 4.960 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.655 -1.613 3.139 1.00 0.00 C ATOM 0 H ILE A 79 -0.666 -0.402 1.578 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.003 -0.037 4.485 1.00 0.00 H new ATOM 0 HB ILE A 79 1.501 0.604 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.760 -1.341 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.653 -1.900 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.473 1.065 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.092 2.131 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.893 0.750 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.937 -2.644 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.374 -1.524 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.499 -0.956 3.346 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.787 2.270 4.004 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.285 3.612 3.735 1.00 0.00 C ATOM 1236 C ILE A 80 -1.460 4.691 4.436 1.00 0.00 C ATOM 1237 O ILE A 80 -0.886 4.465 5.501 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.767 3.742 4.129 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.554 2.531 3.626 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.356 5.019 3.560 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.443 2.322 2.132 1.00 0.00 C ATOM 0 H ILE A 80 -2.150 1.846 4.858 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.188 3.768 2.661 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.835 3.781 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.198 1.637 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.604 2.653 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.405 5.096 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.809 5.877 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.278 5.003 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.025 1.447 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.826 3.200 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.398 2.168 1.863 1.00 0.00 H new ATOM 1253 N MET A 81 -1.398 5.863 3.802 1.00 0.00 N ATOM 1254 CA MET A 81 -0.627 7.000 4.325 1.00 0.00 C ATOM 1255 C MET A 81 -1.416 7.823 5.343 1.00 0.00 C ATOM 1256 O MET A 81 -0.832 8.579 6.115 1.00 0.00 O ATOM 1257 CB MET A 81 -0.124 7.921 3.196 1.00 0.00 C ATOM 1258 CG MET A 81 -0.834 7.769 1.853 1.00 0.00 C ATOM 1259 SD MET A 81 0.190 6.947 0.611 1.00 0.00 S ATOM 1260 CE MET A 81 0.489 5.350 1.367 1.00 0.00 C ATOM 0 H MET A 81 -1.874 6.054 2.920 1.00 0.00 H new ATOM 0 HA MET A 81 0.233 6.564 4.833 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.224 8.956 3.524 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.940 7.735 3.047 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.753 7.200 1.995 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.123 8.754 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.560 5.145 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.114 5.356 2.390 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.025 4.576 0.797 1.00 0.00 H new ATOM 1270 N THR A 82 -2.730 7.682 5.348 1.00 0.00 N ATOM 1271 CA THR A 82 -3.562 8.424 6.289 1.00 0.00 C ATOM 1272 C THR A 82 -4.790 7.608 6.684 1.00 0.00 C ATOM 1273 O THR A 82 -5.162 6.664 5.994 1.00 0.00 O ATOM 1274 CB THR A 82 -3.979 9.768 5.682 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.897 10.354 4.980 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.453 10.774 6.707 1.00 0.00 C ATOM 0 H THR A 82 -3.244 7.066 4.718 1.00 0.00 H new ATOM 0 HA THR A 82 -2.979 8.615 7.190 1.00 0.00 H new ATOM 0 HB THR A 82 -4.810 9.536 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.990 10.170 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.731 11.701 6.205 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.318 10.374 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.652 10.973 7.419 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.417 7.968 7.794 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.601 7.253 8.253 1.00 0.00 C ATOM 1286 C ALA A 83 -7.848 8.120 8.128 1.00 0.00 C ATOM 1287 O ALA A 83 -8.960 7.606 8.007 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.418 6.779 9.684 1.00 0.00 C ATOM 0 H ALA A 83 -5.130 8.744 8.390 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.735 6.379 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.313 6.247 10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.559 6.110 9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.251 7.638 10.333 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.656 9.437 8.142 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.761 10.377 8.015 1.00 0.00 C ATOM 1296 C HIS A 84 -9.919 10.001 8.936 1.00 0.00 C ATOM 1297 O HIS A 84 -9.789 9.112 9.779 1.00 0.00 O ATOM 1298 CB HIS A 84 -9.225 10.414 6.561 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.394 11.302 5.687 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.655 12.361 6.172 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.182 11.280 4.350 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.027 12.951 5.171 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.329 12.315 4.054 1.00 0.00 N ATOM 0 H HIS A 84 -6.741 9.876 8.241 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.415 11.366 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.207 9.402 6.157 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.261 10.752 6.528 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.605 10.578 3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.376 13.809 5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.985 12.553 3.124 1.00 0.00 H new ATOM 1312 N SER A 85 -11.050 10.681 8.776 1.00 0.00 N ATOM 1313 CA SER A 85 -12.224 10.413 9.598 1.00 0.00 C ATOM 1314 C SER A 85 -13.015 9.219 9.059 1.00 0.00 C ATOM 1315 O SER A 85 -14.220 9.312 8.829 1.00 0.00 O ATOM 1316 CB SER A 85 -13.117 11.656 9.660 1.00 0.00 C ATOM 1317 OG SER A 85 -13.475 11.959 10.997 1.00 0.00 O ATOM 0 H SER A 85 -11.178 11.421 8.085 1.00 0.00 H new ATOM 0 HA SER A 85 -11.885 10.166 10.604 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.595 12.505 9.218 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.017 11.491 9.067 1.00 0.00 H new ATOM 0 HG SER A 85 -14.043 12.757 11.011 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.325 8.097 8.865 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.956 6.882 8.359 1.00 0.00 C ATOM 1325 C ASP A 86 -12.123 5.652 8.709 1.00 0.00 C ATOM 1326 O ASP A 86 -12.149 4.653 7.996 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.136 6.964 6.841 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.070 8.082 6.423 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -13.612 9.242 6.349 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.259 7.797 6.168 1.00 0.00 O ATOM 0 H ASP A 86 -11.326 8.005 9.051 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.934 6.791 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.164 7.113 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.525 6.014 6.473 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.384 5.737 9.812 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.529 4.637 10.267 1.00 0.00 C ATOM 1337 C LEU A 87 -11.249 3.287 10.232 1.00 0.00 C ATOM 1338 O LEU A 87 -10.606 2.238 10.208 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.013 4.919 11.681 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.527 5.269 11.762 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.177 5.818 13.137 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.672 4.052 11.437 1.00 0.00 C ATOM 0 H LEU A 87 -11.358 6.561 10.413 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.689 4.575 9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.589 5.741 12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.200 4.043 12.303 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.318 6.043 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.115 6.060 13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.761 6.718 13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.404 5.069 13.896 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.618 4.321 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.887 3.256 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.899 3.707 10.428 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.575 3.315 10.243 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.368 2.088 10.227 1.00 0.00 C ATOM 1356 C ASP A 88 -12.883 1.112 9.153 1.00 0.00 C ATOM 1357 O ASP A 88 -12.557 -0.037 9.453 1.00 0.00 O ATOM 1358 CB ASP A 88 -14.842 2.421 10.000 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.555 2.789 11.287 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.336 3.914 11.785 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.330 1.953 11.796 1.00 0.00 O ATOM 0 H ASP A 88 -13.126 4.173 10.263 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.247 1.603 11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.921 3.248 9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.339 1.565 9.544 1.00 0.00 H new ATOM 1366 N ALA A 89 -12.840 1.565 7.904 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.397 0.713 6.806 1.00 0.00 C ATOM 1368 C ALA A 89 -10.930 0.321 6.960 1.00 0.00 C ATOM 1369 O ALA A 89 -10.476 -0.654 6.364 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.628 1.401 5.468 1.00 0.00 C ATOM 0 H ALA A 89 -13.105 2.511 7.628 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.990 -0.201 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.291 0.750 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.691 1.611 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.068 2.336 5.438 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.191 1.086 7.758 1.00 0.00 N ATOM 1377 CA ALA A 90 -8.775 0.811 7.980 1.00 0.00 C ATOM 1378 C ALA A 90 -8.574 -0.518 8.702 1.00 0.00 C ATOM 1379 O ALA A 90 -7.791 -1.357 8.259 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.123 1.942 8.764 1.00 0.00 C ATOM 0 H ALA A 90 -10.548 1.899 8.260 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.296 0.741 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.068 1.717 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.217 2.873 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.617 2.047 9.730 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.279 -0.709 9.816 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.154 -1.947 10.577 1.00 0.00 C ATOM 1388 C VAL A 91 -9.667 -3.133 9.774 1.00 0.00 C ATOM 1389 O VAL A 91 -8.988 -4.153 9.657 1.00 0.00 O ATOM 1390 CB VAL A 91 -9.893 -1.896 11.926 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -9.403 -3.022 12.827 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -9.698 -0.545 12.600 1.00 0.00 C ATOM 0 H VAL A 91 -9.934 -0.031 10.206 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.090 -2.068 10.781 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.960 -2.028 11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.930 -2.981 13.780 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.596 -3.982 12.347 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.332 -2.911 12.999 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.230 -0.533 13.552 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.636 -0.376 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.089 0.243 11.956 1.00 0.00 H new ATOM 1402 N SER A 92 -10.860 -2.989 9.207 1.00 0.00 N ATOM 1403 CA SER A 92 -11.443 -4.053 8.400 1.00 0.00 C ATOM 1404 C SER A 92 -10.528 -4.388 7.231 1.00 0.00 C ATOM 1405 O SER A 92 -10.551 -5.502 6.708 1.00 0.00 O ATOM 1406 CB SER A 92 -12.824 -3.649 7.885 1.00 0.00 C ATOM 1407 OG SER A 92 -13.531 -2.890 8.851 1.00 0.00 O ATOM 0 H SER A 92 -11.438 -2.153 9.291 1.00 0.00 H new ATOM 0 HA SER A 92 -11.554 -4.936 9.029 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.717 -3.068 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.396 -4.542 7.631 1.00 0.00 H new ATOM 0 HG SER A 92 -14.410 -2.644 8.494 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.711 -3.416 6.830 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.781 -3.617 5.733 1.00 0.00 C ATOM 1415 C ALA A 93 -7.798 -4.720 6.068 1.00 0.00 C ATOM 1416 O ALA A 93 -7.616 -5.662 5.300 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.043 -2.329 5.408 1.00 0.00 C ATOM 0 H ALA A 93 -9.678 -2.487 7.250 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.351 -3.915 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.352 -2.504 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.761 -1.560 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.486 -1.998 6.284 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.170 -4.597 7.225 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.201 -5.593 7.679 1.00 0.00 C ATOM 1425 C TYR A 94 -6.844 -6.971 7.704 1.00 0.00 C ATOM 1426 O TYR A 94 -6.185 -7.990 7.499 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.666 -5.246 9.075 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.482 -3.764 9.315 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -4.774 -2.982 8.416 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.015 -3.149 10.442 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.603 -1.628 8.627 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -5.848 -1.793 10.660 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.141 -1.038 9.750 1.00 0.00 C ATOM 1434 OH TYR A 94 -4.973 0.312 9.964 1.00 0.00 O ATOM 0 H TYR A 94 -7.310 -3.820 7.870 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.364 -5.595 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.352 -5.642 9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.710 -5.748 9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.349 -3.440 7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.568 -3.739 11.158 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.050 -1.034 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.270 -1.329 11.539 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.317 0.811 9.194 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.143 -6.977 7.955 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.919 -8.203 8.012 1.00 0.00 C ATOM 1446 C GLN A 95 -9.192 -8.728 6.604 1.00 0.00 C ATOM 1447 O GLN A 95 -9.197 -9.936 6.371 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.233 -7.931 8.760 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.335 -8.956 8.524 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.689 -8.306 8.309 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.684 -8.702 8.915 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.733 -7.299 7.442 1.00 0.00 N ATOM 0 H GLN A 95 -8.688 -6.132 8.125 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.355 -8.967 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.022 -7.887 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.603 -6.949 8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.084 -9.563 7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.390 -9.631 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.884 -7.003 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.616 -6.823 7.258 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.436 -7.812 5.675 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.728 -8.181 4.300 1.00 0.00 C ATOM 1463 C GLN A 96 -8.511 -8.036 3.386 1.00 0.00 C ATOM 1464 O GLN A 96 -8.622 -8.225 2.174 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.875 -7.333 3.765 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.534 -5.854 3.651 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.653 -4.954 4.137 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.635 -5.420 4.716 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.511 -3.655 3.903 1.00 0.00 N ATOM 0 H GLN A 96 -9.437 -6.807 5.851 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.012 -9.233 4.303 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.166 -7.707 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.739 -7.449 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.632 -5.648 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.309 -5.617 2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.681 -3.312 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.232 -3.000 4.206 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.357 -7.700 3.957 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.159 -7.544 3.152 1.00 0.00 C ATOM 1480 C GLY A 97 -5.523 -6.172 3.293 1.00 0.00 C ATOM 1481 O GLY A 97 -5.723 -5.298 2.448 1.00 0.00 O ATOM 0 H GLY A 97 -7.231 -7.534 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.434 -8.306 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.407 -7.718 2.105 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.742 -5.990 4.353 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.058 -4.724 4.594 1.00 0.00 C ATOM 1487 C ALA A 98 -3.020 -4.859 5.705 1.00 0.00 C ATOM 1488 O ALA A 98 -3.322 -5.335 6.798 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.054 -3.621 4.909 1.00 0.00 C ATOM 0 H ALA A 98 -4.567 -6.704 5.060 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.531 -4.451 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.520 -2.687 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.736 -3.496 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.622 -3.887 5.800 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.787 -4.453 5.413 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.705 -4.546 6.387 1.00 0.00 C ATOM 1497 C PHE A 99 -0.961 -3.646 7.589 1.00 0.00 C ATOM 1498 O PHE A 99 -0.926 -4.100 8.732 1.00 0.00 O ATOM 1499 CB PHE A 99 0.633 -4.174 5.743 1.00 0.00 C ATOM 1500 CG PHE A 99 1.797 -4.255 6.693 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.253 -5.482 7.147 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.431 -3.104 7.133 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.318 -5.559 8.023 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.498 -3.175 8.009 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.942 -4.405 8.454 1.00 0.00 C ATOM 0 H PHE A 99 -1.514 -4.058 4.513 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.664 -5.579 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.817 -4.836 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.567 -3.161 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.770 -6.388 6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.087 -2.140 6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.663 -6.522 8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.983 -2.271 8.345 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.776 -4.464 9.138 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.216 -2.367 7.328 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.472 -1.409 8.398 1.00 0.00 C ATOM 1517 C ASP A 100 -1.692 -0.006 7.838 1.00 0.00 C ATOM 1518 O ASP A 100 -1.840 0.176 6.629 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.308 -1.399 9.393 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.775 -1.570 10.825 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.870 -1.067 11.156 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.048 -2.206 11.616 1.00 0.00 O ATOM 0 H ASP A 100 -1.251 -1.971 6.388 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.381 -1.718 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.389 -2.199 9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.238 -0.460 9.301 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.709 0.981 8.729 1.00 0.00 N ATOM 1528 CA TYR A 101 -1.905 2.372 8.335 1.00 0.00 C ATOM 1529 C TYR A 101 -0.747 3.236 8.831 1.00 0.00 C ATOM 1530 O TYR A 101 -0.515 3.339 10.036 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.230 2.905 8.893 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.377 2.858 7.905 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -4.897 1.646 7.472 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.940 4.027 7.406 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -5.942 1.598 6.570 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.987 3.985 6.506 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.484 2.769 6.091 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.522 2.723 5.189 1.00 0.00 O ATOM 0 H TYR A 101 -1.589 0.842 9.732 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.937 2.418 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.500 2.325 9.776 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.087 3.935 9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.477 0.724 7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.553 4.983 7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.332 0.646 6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.415 4.902 6.129 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.016 1.884 5.301 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.025 3.854 7.902 1.00 0.00 N ATOM 1549 CA LEU A 102 1.103 4.707 8.254 1.00 0.00 C ATOM 1550 C LEU A 102 0.705 6.177 8.151 1.00 0.00 C ATOM 1551 O LEU A 102 0.082 6.585 7.174 1.00 0.00 O ATOM 1552 CB LEU A 102 2.288 4.415 7.329 1.00 0.00 C ATOM 1553 CG LEU A 102 3.529 5.279 7.559 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.464 4.621 8.561 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.250 5.524 6.246 1.00 0.00 C ATOM 0 H LEU A 102 -0.201 3.780 6.900 1.00 0.00 H new ATOM 0 HA LEU A 102 1.397 4.496 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.568 3.368 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.962 4.545 6.297 1.00 0.00 H new ATOM 0 HG LEU A 102 3.210 6.238 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.340 5.252 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.946 4.490 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.778 3.648 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.131 6.140 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.555 4.570 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.582 6.038 5.554 1.00 0.00 H new ATOM 1567 N PRO A 103 1.055 6.998 9.159 1.00 0.00 N ATOM 1568 CA PRO A 103 0.725 8.426 9.168 1.00 0.00 C ATOM 1569 C PRO A 103 1.105 9.110 7.857 1.00 0.00 C ATOM 1570 O PRO A 103 1.827 8.536 7.042 1.00 0.00 O ATOM 1571 CB PRO A 103 1.550 8.988 10.340 1.00 0.00 C ATOM 1572 CG PRO A 103 2.477 7.891 10.747 1.00 0.00 C ATOM 1573 CD PRO A 103 1.800 6.610 10.361 1.00 0.00 C ATOM 0 HA PRO A 103 -0.346 8.597 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.104 9.876 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.904 9.282 11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.440 7.989 10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.670 7.922 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.519 5.817 10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.140 6.246 11.148 1.00 0.00 H new ATOM 1581 N LYS A 104 0.606 10.333 7.650 1.00 0.00 N ATOM 1582 CA LYS A 104 0.891 11.083 6.424 1.00 0.00 C ATOM 1583 C LYS A 104 2.351 10.934 6.002 1.00 0.00 C ATOM 1584 O LYS A 104 2.634 10.604 4.852 1.00 0.00 O ATOM 1585 CB LYS A 104 0.542 12.563 6.587 1.00 0.00 C ATOM 1586 CG LYS A 104 0.606 13.346 5.280 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.218 12.687 4.180 1.00 0.00 C ATOM 1588 CE LYS A 104 0.667 12.022 3.133 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.113 11.551 1.952 1.00 0.00 N ATOM 0 H LYS A 104 0.005 10.822 8.313 1.00 0.00 H new ATOM 0 HA LYS A 104 0.263 10.661 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.461 12.649 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.226 13.013 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.243 14.360 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.644 13.428 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.883 11.943 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.849 13.435 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.430 12.727 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.187 11.177 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.507 11.002 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.900 10.951 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.491 12.371 1.436 1.00 0.00 H new ATOM 1603 N PRO A 105 3.313 11.152 6.920 1.00 0.00 N ATOM 1604 CA PRO A 105 4.731 11.010 6.597 1.00 0.00 C ATOM 1605 C PRO A 105 4.980 9.701 5.859 1.00 0.00 C ATOM 1606 O PRO A 105 4.130 8.811 5.874 1.00 0.00 O ATOM 1607 CB PRO A 105 5.428 11.009 7.970 1.00 0.00 C ATOM 1608 CG PRO A 105 4.328 10.947 8.984 1.00 0.00 C ATOM 1609 CD PRO A 105 3.116 11.535 8.321 1.00 0.00 C ATOM 0 HA PRO A 105 5.099 11.802 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.099 10.155 8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.032 11.906 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.142 9.919 9.295 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.592 11.508 9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.191 11.127 8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.069 12.617 8.445 1.00 0.00 H new ATOM 1617 N PHE A 106 6.121 9.583 5.194 1.00 0.00 N ATOM 1618 CA PHE A 106 6.413 8.375 4.446 1.00 0.00 C ATOM 1619 C PHE A 106 7.852 8.359 3.929 1.00 0.00 C ATOM 1620 O PHE A 106 8.741 7.827 4.591 1.00 0.00 O ATOM 1621 CB PHE A 106 5.411 8.225 3.294 1.00 0.00 C ATOM 1622 CG PHE A 106 4.579 6.980 3.396 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.183 5.741 3.343 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.202 7.044 3.540 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.436 4.584 3.433 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.451 5.891 3.630 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.066 4.662 3.576 1.00 0.00 C ATOM 0 H PHE A 106 6.847 10.298 5.158 1.00 0.00 H new ATOM 0 HA PHE A 106 6.311 7.524 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.753 9.094 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.953 8.217 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.255 5.675 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.713 8.006 3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.922 3.621 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.379 5.953 3.743 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.477 3.759 3.645 1.00 0.00 H new ATOM 1637 N ASP A 107 8.086 8.926 2.743 1.00 0.00 N ATOM 1638 CA ASP A 107 9.427 8.940 2.155 1.00 0.00 C ATOM 1639 C ASP A 107 10.098 7.577 2.326 1.00 0.00 C ATOM 1640 O ASP A 107 9.456 6.611 2.723 1.00 0.00 O ATOM 1641 CB ASP A 107 10.285 10.041 2.787 1.00 0.00 C ATOM 1642 CG ASP A 107 10.464 9.856 4.280 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.133 8.881 4.681 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.933 10.685 5.049 1.00 0.00 O ATOM 0 H ASP A 107 7.370 9.378 2.175 1.00 0.00 H new ATOM 0 HA ASP A 107 9.331 9.150 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.263 10.055 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.823 11.010 2.598 1.00 0.00 H new ATOM 1649 N ILE A 108 11.380 7.493 2.028 1.00 0.00 N ATOM 1650 CA ILE A 108 12.093 6.231 2.163 1.00 0.00 C ATOM 1651 C ILE A 108 12.227 5.826 3.618 1.00 0.00 C ATOM 1652 O ILE A 108 11.993 4.674 3.984 1.00 0.00 O ATOM 1653 CB ILE A 108 13.475 6.302 1.480 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.362 5.795 0.049 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.546 5.523 2.236 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.211 6.417 -0.707 1.00 0.00 C ATOM 0 H ILE A 108 11.947 8.272 1.694 1.00 0.00 H new ATOM 0 HA ILE A 108 11.506 5.464 1.659 1.00 0.00 H new ATOM 0 HB ILE A 108 13.789 7.346 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.292 6.004 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.239 4.712 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.497 5.608 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.650 5.930 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.258 4.474 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.182 6.016 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.275 6.186 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.345 7.498 -0.748 1.00 0.00 H new ATOM 1668 N ASP A 109 12.610 6.776 4.435 1.00 0.00 N ATOM 1669 CA ASP A 109 12.790 6.528 5.853 1.00 0.00 C ATOM 1670 C ASP A 109 11.560 5.864 6.471 1.00 0.00 C ATOM 1671 O ASP A 109 11.664 4.793 7.059 1.00 0.00 O ATOM 1672 CB ASP A 109 13.099 7.836 6.581 1.00 0.00 C ATOM 1673 CG ASP A 109 13.860 7.616 7.874 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.497 6.686 8.625 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.817 8.374 8.136 1.00 0.00 O ATOM 0 H ASP A 109 12.805 7.734 4.145 1.00 0.00 H new ATOM 0 HA ASP A 109 13.631 5.843 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.682 8.484 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.166 8.357 6.796 1.00 0.00 H new ATOM 1680 N GLU A 110 10.406 6.520 6.363 1.00 0.00 N ATOM 1681 CA GLU A 110 9.174 6.005 6.946 1.00 0.00 C ATOM 1682 C GLU A 110 8.531 4.892 6.117 1.00 0.00 C ATOM 1683 O GLU A 110 7.842 4.033 6.670 1.00 0.00 O ATOM 1684 CB GLU A 110 8.176 7.146 7.183 1.00 0.00 C ATOM 1685 CG GLU A 110 8.754 8.301 7.985 1.00 0.00 C ATOM 1686 CD GLU A 110 8.260 8.322 9.417 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.111 8.758 9.643 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.021 7.902 10.315 1.00 0.00 O ATOM 0 H GLU A 110 10.301 7.410 5.876 1.00 0.00 H new ATOM 0 HA GLU A 110 9.447 5.557 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.829 7.521 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.304 6.752 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.842 8.233 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.492 9.242 7.501 1.00 0.00 H new ATOM 1695 N ALA A 111 8.750 4.883 4.805 1.00 0.00 N ATOM 1696 CA ALA A 111 8.168 3.839 3.971 1.00 0.00 C ATOM 1697 C ALA A 111 9.042 2.598 3.976 1.00 0.00 C ATOM 1698 O ALA A 111 8.588 1.512 4.339 1.00 0.00 O ATOM 1699 CB ALA A 111 7.918 4.317 2.551 1.00 0.00 C ATOM 0 H ALA A 111 9.314 5.571 4.306 1.00 0.00 H new ATOM 0 HA ALA A 111 7.199 3.584 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.484 3.507 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.230 5.162 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.861 4.626 2.100 1.00 0.00 H new ATOM 1705 N VAL A 112 10.304 2.755 3.587 1.00 0.00 N ATOM 1706 CA VAL A 112 11.223 1.628 3.575 1.00 0.00 C ATOM 1707 C VAL A 112 11.253 0.962 4.941 1.00 0.00 C ATOM 1708 O VAL A 112 11.431 -0.249 5.063 1.00 0.00 O ATOM 1709 CB VAL A 112 12.651 2.034 3.191 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.527 0.796 3.090 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.650 2.811 1.886 1.00 0.00 C ATOM 0 H VAL A 112 10.707 3.640 3.280 1.00 0.00 H new ATOM 0 HA VAL A 112 10.855 0.935 2.818 1.00 0.00 H new ATOM 0 HB VAL A 112 13.058 2.685 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.541 1.089 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.544 0.283 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.125 0.127 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.671 3.091 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.233 2.190 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.045 3.710 1.998 1.00 0.00 H new ATOM 1721 N ALA A 113 11.058 1.770 5.966 1.00 0.00 N ATOM 1722 CA ALA A 113 11.034 1.275 7.328 1.00 0.00 C ATOM 1723 C ALA A 113 9.892 0.287 7.495 1.00 0.00 C ATOM 1724 O ALA A 113 10.072 -0.831 7.977 1.00 0.00 O ATOM 1725 CB ALA A 113 10.850 2.432 8.291 1.00 0.00 C ATOM 0 H ALA A 113 10.913 2.776 5.880 1.00 0.00 H new ATOM 0 HA ALA A 113 11.978 0.774 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.833 2.055 9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.675 3.135 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.910 2.939 8.075 1.00 0.00 H new ATOM 1731 N LEU A 114 8.710 0.738 7.102 1.00 0.00 N ATOM 1732 CA LEU A 114 7.501 -0.056 7.207 1.00 0.00 C ATOM 1733 C LEU A 114 7.430 -1.167 6.161 1.00 0.00 C ATOM 1734 O LEU A 114 6.680 -2.127 6.334 1.00 0.00 O ATOM 1735 CB LEU A 114 6.278 0.850 7.081 1.00 0.00 C ATOM 1736 CG LEU A 114 4.940 0.179 7.381 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.713 0.083 8.881 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.807 0.944 6.718 1.00 0.00 C ATOM 0 H LEU A 114 8.565 1.665 6.702 1.00 0.00 H new ATOM 0 HA LEU A 114 7.517 -0.537 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.401 1.697 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.246 1.252 6.068 1.00 0.00 H new ATOM 0 HG LEU A 114 4.961 -0.832 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.754 -0.398 9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.512 -0.505 9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.710 1.084 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.859 0.455 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.786 1.965 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.962 0.962 5.639 1.00 0.00 H new ATOM 1750 N VAL A 115 8.183 -1.042 5.071 1.00 0.00 N ATOM 1751 CA VAL A 115 8.145 -2.062 4.027 1.00 0.00 C ATOM 1752 C VAL A 115 8.985 -3.283 4.392 1.00 0.00 C ATOM 1753 O VAL A 115 8.514 -4.417 4.308 1.00 0.00 O ATOM 1754 CB VAL A 115 8.587 -1.527 2.647 1.00 0.00 C ATOM 1755 CG1 VAL A 115 10.083 -1.280 2.601 1.00 0.00 C ATOM 1756 CG2 VAL A 115 8.180 -2.496 1.550 1.00 0.00 C ATOM 0 H VAL A 115 8.814 -0.262 4.889 1.00 0.00 H new ATOM 0 HA VAL A 115 7.099 -2.359 3.953 1.00 0.00 H new ATOM 0 HB VAL A 115 8.085 -0.573 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.360 -0.904 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.354 -0.545 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.612 -2.213 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.498 -2.106 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.653 -3.463 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.097 -2.616 1.554 1.00 0.00 H new ATOM 1766 N GLU A 116 10.228 -3.049 4.796 1.00 0.00 N ATOM 1767 CA GLU A 116 11.118 -4.139 5.169 1.00 0.00 C ATOM 1768 C GLU A 116 10.585 -4.866 6.395 1.00 0.00 C ATOM 1769 O GLU A 116 10.616 -6.095 6.467 1.00 0.00 O ATOM 1770 CB GLU A 116 12.526 -3.608 5.437 1.00 0.00 C ATOM 1771 CG GLU A 116 13.282 -3.228 4.174 1.00 0.00 C ATOM 1772 CD GLU A 116 14.752 -2.964 4.429 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.334 -3.640 5.304 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.323 -2.081 3.755 1.00 0.00 O ATOM 0 H GLU A 116 10.640 -2.119 4.873 1.00 0.00 H new ATOM 0 HA GLU A 116 11.164 -4.846 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.459 -2.736 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.094 -4.365 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.183 -4.029 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.828 -2.339 3.737 1.00 0.00 H new ATOM 1781 N ARG A 117 10.088 -4.096 7.357 1.00 0.00 N ATOM 1782 CA ARG A 117 9.539 -4.662 8.579 1.00 0.00 C ATOM 1783 C ARG A 117 8.258 -5.437 8.291 1.00 0.00 C ATOM 1784 O ARG A 117 7.888 -6.345 9.036 1.00 0.00 O ATOM 1785 CB ARG A 117 9.264 -3.556 9.600 1.00 0.00 C ATOM 1786 CG ARG A 117 10.523 -2.872 10.108 1.00 0.00 C ATOM 1787 CD ARG A 117 10.721 -3.106 11.597 1.00 0.00 C ATOM 1788 NE ARG A 117 11.008 -4.507 11.895 1.00 0.00 N ATOM 1789 CZ ARG A 117 10.587 -5.139 12.990 1.00 0.00 C ATOM 1790 NH1 ARG A 117 9.876 -4.497 13.910 1.00 0.00 N ATOM 1791 NH2 ARG A 117 10.884 -6.419 13.168 1.00 0.00 N ATOM 0 H ARG A 117 10.055 -3.078 7.312 1.00 0.00 H new ATOM 0 HA ARG A 117 10.274 -5.353 8.993 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.612 -2.809 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.724 -3.980 10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.388 -3.247 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.461 -1.802 9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.540 -2.483 11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.825 -2.796 12.135 1.00 0.00 H new ATOM 0 HE ARG A 117 11.565 -5.034 11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.648 -3.511 13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.558 -4.990 14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.433 -6.917 12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.563 -6.905 14.005 1.00 0.00 H new ATOM 1805 N ALA A 118 7.587 -5.075 7.205 1.00 0.00 N ATOM 1806 CA ALA A 118 6.351 -5.736 6.815 1.00 0.00 C ATOM 1807 C ALA A 118 6.628 -7.118 6.240 1.00 0.00 C ATOM 1808 O ALA A 118 6.077 -8.115 6.702 1.00 0.00 O ATOM 1809 CB ALA A 118 5.582 -4.888 5.813 1.00 0.00 C ATOM 0 H ALA A 118 7.880 -4.325 6.578 1.00 0.00 H new ATOM 0 HA ALA A 118 5.739 -5.857 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.661 -5.400 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.340 -3.925 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.193 -4.731 4.924 1.00 0.00 H new ATOM 1815 N ILE A 119 7.494 -7.172 5.234 1.00 0.00 N ATOM 1816 CA ILE A 119 7.848 -8.435 4.606 1.00 0.00 C ATOM 1817 C ILE A 119 8.524 -9.359 5.610 1.00 0.00 C ATOM 1818 O ILE A 119 8.398 -10.581 5.534 1.00 0.00 O ATOM 1819 CB ILE A 119 8.784 -8.221 3.404 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.209 -7.165 2.460 1.00 0.00 C ATOM 1821 CG2 ILE A 119 9.013 -9.527 2.662 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.264 -6.271 1.852 1.00 0.00 C ATOM 0 H ILE A 119 7.962 -6.357 4.838 1.00 0.00 H new ATOM 0 HA ILE A 119 6.924 -8.893 4.252 1.00 0.00 H new ATOM 0 HB ILE A 119 9.745 -7.866 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.659 -7.662 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.492 -6.551 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.678 -9.353 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.466 -10.254 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.059 -9.912 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.789 -5.544 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.798 -5.747 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.967 -6.876 1.279 1.00 0.00 H new ATOM 1834 N SER A 120 9.235 -8.756 6.550 1.00 0.00 N ATOM 1835 CA SER A 120 9.937 -9.503 7.584 1.00 0.00 C ATOM 1836 C SER A 120 8.948 -10.166 8.537 1.00 0.00 C ATOM 1837 O SER A 120 9.163 -11.290 8.988 1.00 0.00 O ATOM 1838 CB SER A 120 10.871 -8.575 8.366 1.00 0.00 C ATOM 1839 OG SER A 120 12.135 -8.454 7.730 1.00 0.00 O ATOM 0 H SER A 120 9.342 -7.744 6.619 1.00 0.00 H new ATOM 0 HA SER A 120 10.529 -10.280 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.413 -7.590 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.006 -8.960 9.377 1.00 0.00 H new ATOM 0 HG SER A 120 12.115 -7.700 7.104 1.00 0.00 H new ATOM 1845 N HIS A 121 7.864 -9.459 8.838 1.00 0.00 N ATOM 1846 CA HIS A 121 6.838 -9.976 9.737 1.00 0.00 C ATOM 1847 C HIS A 121 6.146 -11.192 9.130 1.00 0.00 C ATOM 1848 O HIS A 121 5.677 -12.076 9.847 1.00 0.00 O ATOM 1849 CB HIS A 121 5.806 -8.891 10.049 1.00 0.00 C ATOM 1850 CG HIS A 121 6.234 -7.945 11.128 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.549 -7.786 11.515 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.512 -7.101 11.903 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.616 -6.887 12.482 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.394 -6.456 12.734 1.00 0.00 N ATOM 0 H HIS A 121 7.673 -8.526 8.473 1.00 0.00 H new ATOM 0 HA HIS A 121 7.324 -10.281 10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.602 -8.324 9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.871 -9.366 10.345 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.441 -6.961 11.873 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.517 -6.561 12.981 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.145 -5.756 13.433 1.00 0.00 H new ATOM 1863 N TYR A 122 6.086 -11.223 7.807 1.00 0.00 N ATOM 1864 CA TYR A 122 5.452 -12.324 7.094 1.00 0.00 C ATOM 1865 C TYR A 122 6.269 -13.605 7.229 1.00 0.00 C ATOM 1866 O TYR A 122 5.714 -14.696 7.352 1.00 0.00 O ATOM 1867 CB TYR A 122 5.273 -11.968 5.618 1.00 0.00 C ATOM 1868 CG TYR A 122 4.022 -11.166 5.337 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.763 -11.699 5.583 1.00 0.00 C ATOM 1870 CD2 TYR A 122 4.100 -9.874 4.830 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.617 -10.969 5.330 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.959 -9.137 4.576 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.720 -9.689 4.827 1.00 0.00 C ATOM 1874 OH TYR A 122 0.582 -8.955 4.575 1.00 0.00 O ATOM 0 H TYR A 122 6.470 -10.496 7.203 1.00 0.00 H new ATOM 0 HA TYR A 122 4.472 -12.495 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 122 6.141 -11.401 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.245 -12.887 5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.678 -12.700 5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 122 5.068 -9.439 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.646 -11.399 5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 122 3.037 -8.134 4.183 1.00 0.00 H new ATOM 0 HH TYR A 122 0.514 -8.224 5.224 1.00 0.00 H new ATOM 1884 N GLN A 123 7.591 -13.464 7.205 1.00 0.00 N ATOM 1885 CA GLN A 123 8.481 -14.610 7.326 1.00 0.00 C ATOM 1886 C GLN A 123 8.535 -15.105 8.768 1.00 0.00 C ATOM 1887 O GLN A 123 7.752 -14.672 9.612 1.00 0.00 O ATOM 1888 CB GLN A 123 9.886 -14.247 6.843 1.00 0.00 C ATOM 1889 CG GLN A 123 10.573 -15.365 6.076 1.00 0.00 C ATOM 1890 CD GLN A 123 11.422 -14.850 4.931 1.00 0.00 C ATOM 1891 OE1 GLN A 123 11.309 -15.320 3.799 1.00 0.00 O ATOM 1892 NE2 GLN A 123 12.280 -13.878 5.221 1.00 0.00 N ATOM 0 H GLN A 123 8.067 -12.568 7.103 1.00 0.00 H new ATOM 0 HA GLN A 123 8.088 -15.412 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 123 9.826 -13.364 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.499 -13.978 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 123 11.200 -15.938 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.820 -16.049 5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.340 -13.518 6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.878 -13.491 4.491 1.00 0.00 H new ATOM 1901 N GLU A 124 9.464 -16.014 9.043 1.00 0.00 N ATOM 1902 CA GLU A 124 9.619 -16.565 10.384 1.00 0.00 C ATOM 1903 C GLU A 124 10.442 -15.631 11.264 1.00 0.00 C ATOM 1904 O GLU A 124 11.618 -15.383 10.996 1.00 0.00 O ATOM 1905 CB GLU A 124 10.284 -17.941 10.317 1.00 0.00 C ATOM 1906 CG GLU A 124 9.644 -18.971 11.233 1.00 0.00 C ATOM 1907 CD GLU A 124 9.997 -20.394 10.848 1.00 0.00 C ATOM 1908 OE1 GLU A 124 10.369 -20.617 9.677 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.901 -21.285 11.717 1.00 0.00 O ATOM 0 H GLU A 124 10.120 -16.385 8.356 1.00 0.00 H new ATOM 0 HA GLU A 124 8.628 -16.669 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.244 -18.305 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.337 -17.839 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.962 -18.787 12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.561 -18.850 11.209 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.982 10.586 0.686 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -4.423 10.808 0.401 1.00 0.00 F HETATM 1919 F2 BEF A 125 -2.229 11.837 0.423 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.810 10.192 2.107 1.00 0.00 F